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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/evo_ds-891f3468/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/evo_ds-891f3468/inputs/seq.fa: 2
curr_seq: _AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA_
curr_seq: _GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGUAAGAAAAAUCCCAAUUACUCCCACCCAUUUUAUGUUAUUUUGUUUAAAAA
chainId: B, chainSeq: GGAAUAUAAAACUGCCCAUUUCACCAAUAAUUUUUAAGUAUUUAGAUGUAAAA
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -427.695611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.695611 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -485.709880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.709880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.709880 (E_RNA)
where:
Base-Base interactions energy: -209.685
where: short stacking energy: -168.741
Base-Backbone interact. energy: -0.406
local terms energy: -275.618346
where:
bonds (distance) C4'-P energy: -67.626
bonds (distance) P-C4' energy: -66.872
flat angles C4'-P-C4' energy: -61.266
flat angles P-C4'-P energy: -43.494
tors. eta vs tors. theta energy: -36.361
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -487.392108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.392108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.392108 (E_RNA)
where:
Base-Base interactions energy: -185.583
where: short stacking energy: -183.778
Base-Backbone interact. energy: 0.561
local terms energy: -302.370087
where:
bonds (distance) C4'-P energy: -61.602
bonds (distance) P-C4' energy: -68.908
flat angles C4'-P-C4' energy: -75.241
flat angles P-C4'-P energy: -45.504
tors. eta vs tors. theta energy: -51.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -441.565568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.565568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.565568 (E_RNA)
where:
Base-Base interactions energy: -173.291
where: short stacking energy: -161.759
Base-Backbone interact. energy: -0.281
local terms energy: -267.994224
where:
bonds (distance) C4'-P energy: -66.620
bonds (distance) P-C4' energy: -68.827
flat angles C4'-P-C4' energy: -57.740
flat angles P-C4'-P energy: -44.950
tors. eta vs tors. theta energy: -29.857
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -427.835731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.835731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.835731 (E_RNA)
where:
Base-Base interactions energy: -15.595
where: short stacking energy: -15.595
Base-Backbone interact. energy: -0.000
local terms energy: -412.240488
where:
bonds (distance) C4'-P energy: -102.755
bonds (distance) P-C4' energy: -96.609
flat angles C4'-P-C4' energy: -77.234
flat angles P-C4'-P energy: -88.830
tors. eta vs tors. theta energy: -46.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -431.715259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.715259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.715259 (E_RNA)
where:
Base-Base interactions energy: -22.578
where: short stacking energy: -22.578
Base-Backbone interact. energy: -0.000
local terms energy: -409.137424
where:
bonds (distance) C4'-P energy: -99.804
bonds (distance) P-C4' energy: -94.577
flat angles C4'-P-C4' energy: -77.997
flat angles P-C4'-P energy: -88.616
tors. eta vs tors. theta energy: -48.143
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -432.691761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.691761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.691761 (E_RNA)
where:
Base-Base interactions energy: -22.770
where: short stacking energy: -22.770
Base-Backbone interact. energy: -0.000
local terms energy: -409.921776
where:
bonds (distance) C4'-P energy: -98.811
bonds (distance) P-C4' energy: -95.908
flat angles C4'-P-C4' energy: -78.116
flat angles P-C4'-P energy: -88.468
tors. eta vs tors. theta energy: -48.619
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -428.945460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.945460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.945460 (E_RNA)
where:
Base-Base interactions energy: -16.718
where: short stacking energy: -16.718
Base-Backbone interact. energy: -0.000
local terms energy: -412.227009
where:
bonds (distance) C4'-P energy: -102.755
bonds (distance) P-C4' energy: -96.609
flat angles C4'-P-C4' energy: -76.946
flat angles P-C4'-P energy: -88.868
tors. eta vs tors. theta energy: -47.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -428.938863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.938863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.938863 (E_RNA)
where:
Base-Base interactions energy: -16.712
where: short stacking energy: -16.712
Base-Backbone interact. energy: -0.000
local terms energy: -412.227009
where:
bonds (distance) C4'-P energy: -102.755
bonds (distance) P-C4' energy: -96.609
flat angles C4'-P-C4' energy: -76.946
flat angles P-C4'-P energy: -88.868
tors. eta vs tors. theta energy: -47.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -427.797756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.797756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.797756 (E_RNA)
where:
Base-Base interactions energy: -15.157
where: short stacking energy: -15.157
Base-Backbone interact. energy: -0.000
local terms energy: -412.640389
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -77.243
flat angles P-C4'-P energy: -88.990
tors. eta vs tors. theta energy: -46.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -427.797600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.797600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.797600 (E_RNA)
where:
Base-Base interactions energy: -15.157
where: short stacking energy: -15.157
Base-Backbone interact. energy: -0.000
local terms energy: -412.640389
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -77.243
flat angles P-C4'-P energy: -88.990
tors. eta vs tors. theta energy: -46.921
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -540.346978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.346978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.346978 (E_RNA)
where:
Base-Base interactions energy: -236.875
where: short stacking energy: -203.808
Base-Backbone interact. energy: -0.335
local terms energy: -303.137000
where:
bonds (distance) C4'-P energy: -63.890
bonds (distance) P-C4' energy: -69.202
flat angles C4'-P-C4' energy: -75.864
flat angles P-C4'-P energy: -42.081
tors. eta vs tors. theta energy: -52.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -496.558191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.558191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.558191 (E_RNA)
where:
Base-Base interactions energy: -222.194
where: short stacking energy: -197.778
Base-Backbone interact. energy: 0.218
local terms energy: -274.581883
where:
bonds (distance) C4'-P energy: -61.347
bonds (distance) P-C4' energy: -54.133
flat angles C4'-P-C4' energy: -64.561
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: -50.987
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -423.166885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.166885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.166885 (E_RNA)
where:
Base-Base interactions energy: -155.997
where: short stacking energy: -146.300
Base-Backbone interact. energy: 0.892
local terms energy: -269.684040
where:
bonds (distance) C4'-P energy: -63.822
bonds (distance) P-C4' energy: -62.408
flat angles C4'-P-C4' energy: -69.427
flat angles P-C4'-P energy: -47.679
tors. eta vs tors. theta energy: -26.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.623 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -406.757625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.757625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.757625 (E_RNA)
where:
Base-Base interactions energy: -174.433
where: short stacking energy: -129.887
Base-Backbone interact. energy: -0.282
local terms energy: -232.042863
where:
bonds (distance) C4'-P energy: -61.302
bonds (distance) P-C4' energy: -63.671
flat angles C4'-P-C4' energy: -56.098
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -366.105355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.105355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.105355 (E_RNA)
where:
Base-Base interactions energy: -136.171
where: short stacking energy: -111.551
Base-Backbone interact. energy: 0.573
local terms energy: -230.507394
where:
bonds (distance) C4'-P energy: -58.135
bonds (distance) P-C4' energy: -74.406
flat angles C4'-P-C4' energy: -52.730
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -7.346
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -342.334101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.334101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.334101 (E_RNA)
where:
Base-Base interactions energy: -104.761
where: short stacking energy: -93.403
Base-Backbone interact. energy: -1.548
local terms energy: -236.024412
where:
bonds (distance) C4'-P energy: -70.576
bonds (distance) P-C4' energy: -60.633
flat angles C4'-P-C4' energy: -52.897
flat angles P-C4'-P energy: -45.298
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -338.362859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.362859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.362859 (E_RNA)
where:
Base-Base interactions energy: -120.652
where: short stacking energy: -107.312
Base-Backbone interact. energy: -0.521
local terms energy: -217.410997
where:
bonds (distance) C4'-P energy: -64.135
bonds (distance) P-C4' energy: -60.219
flat angles C4'-P-C4' energy: -56.719
flat angles P-C4'-P energy: -29.115
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.222 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -291.442086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.442086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.442086 (E_RNA)
where:
Base-Base interactions energy: -93.736
where: short stacking energy: -74.602
Base-Backbone interact. energy: 0.231
local terms energy: -197.937315
where:
bonds (distance) C4'-P energy: -48.223
bonds (distance) P-C4' energy: -59.416
flat angles C4'-P-C4' energy: -54.288
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: -4.579
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: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -280.937892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.937892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.937892 (E_RNA)
where:
Base-Base interactions energy: -92.887
where: short stacking energy: -82.345
Base-Backbone interact. energy: 0.255
local terms energy: -188.306430
where:
bonds (distance) C4'-P energy: -49.211
bonds (distance) P-C4' energy: -58.332
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -35.270
tors. eta vs tors. theta energy: 1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -283.670258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.670258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.670258 (E_RNA)
where:
Base-Base interactions energy: -101.404
where: short stacking energy: -87.126
Base-Backbone interact. energy: 7.610
local terms energy: -189.876109
where:
bonds (distance) C4'-P energy: -40.375
bonds (distance) P-C4' energy: -60.512
flat angles C4'-P-C4' energy: -51.185
flat angles P-C4'-P energy: -36.410
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -543.932063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.932063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.932063 (E_RNA)
where:
Base-Base interactions energy: -243.750
where: short stacking energy: -190.753
Base-Backbone interact. energy: -0.296
local terms energy: -300.046406
where:
bonds (distance) C4'-P energy: -65.362
bonds (distance) P-C4' energy: -67.734
flat angles C4'-P-C4' energy: -72.833
flat angles P-C4'-P energy: -41.516
tors. eta vs tors. theta energy: -52.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.159 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -540.802771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.802771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.802771 (E_RNA)
where:
Base-Base interactions energy: -224.519
where: short stacking energy: -214.164
Base-Backbone interact. energy: -0.199
local terms energy: -316.084550
where:
bonds (distance) C4'-P energy: -66.377
bonds (distance) P-C4' energy: -70.232
flat angles C4'-P-C4' energy: -65.346
flat angles P-C4'-P energy: -50.348
tors. eta vs tors. theta energy: -63.781
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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -470.459161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.459161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.459161 (E_RNA)
where:
Base-Base interactions energy: -201.176
where: short stacking energy: -145.655
Base-Backbone interact. energy: -1.310
local terms energy: -267.972918
where:
bonds (distance) C4'-P energy: -64.876
bonds (distance) P-C4' energy: -68.726
flat angles C4'-P-C4' energy: -62.270
flat angles P-C4'-P energy: -48.106
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -414.222418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.222418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.222418 (E_RNA)
where:
Base-Base interactions energy: -173.894
where: short stacking energy: -130.850
Base-Backbone interact. energy: 0.712
local terms energy: -241.040308
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -63.680
flat angles C4'-P-C4' energy: -58.590
flat angles P-C4'-P energy: -36.302
tors. eta vs tors. theta energy: -21.016
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -375.235082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.235082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.235082 (E_RNA)
where:
Base-Base interactions energy: -119.857
where: short stacking energy: -119.857
Base-Backbone interact. energy: -0.183
local terms energy: -255.194753
where:
bonds (distance) C4'-P energy: -66.026
bonds (distance) P-C4' energy: -71.216
flat angles C4'-P-C4' energy: -55.588
flat angles P-C4'-P energy: -39.533
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -370.823384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.823384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.823384 (E_RNA)
where:
Base-Base interactions energy: -144.693
where: short stacking energy: -107.947
Base-Backbone interact. energy: -0.664
local terms energy: -225.466831
where:
bonds (distance) C4'-P energy: -68.205
bonds (distance) P-C4' energy: -58.577
flat angles C4'-P-C4' energy: -62.984
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -323.795500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.795500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.795500 (E_RNA)
where:
Base-Base interactions energy: -114.569
where: short stacking energy: -104.021
Base-Backbone interact. energy: -0.107
local terms energy: -209.120097
where:
bonds (distance) C4'-P energy: -58.695
bonds (distance) P-C4' energy: -55.090
flat angles C4'-P-C4' energy: -53.728
flat angles P-C4'-P energy: -31.487
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -286.734634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.734634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.734634 (E_RNA)
where:
Base-Base interactions energy: -113.011
where: short stacking energy: -100.902
Base-Backbone interact. energy: 0.538
local terms energy: -174.261412
where:
bonds (distance) C4'-P energy: -43.522
bonds (distance) P-C4' energy: -60.882
flat angles C4'-P-C4' energy: -51.595
flat angles P-C4'-P energy: -22.159
tors. eta vs tors. theta energy: 3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -283.800722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.800722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.800722 (E_RNA)
where:
Base-Base interactions energy: -91.148
where: short stacking energy: -77.734
Base-Backbone interact. energy: -0.599
local terms energy: -192.053842
where:
bonds (distance) C4'-P energy: -67.903
bonds (distance) P-C4' energy: -69.740
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: 9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -257.058698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.058698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.058698 (E_RNA)
where:
Base-Base interactions energy: -75.067
where: short stacking energy: -57.139
Base-Backbone interact. energy: -1.506
local terms energy: -180.486209
where:
bonds (distance) C4'-P energy: -52.689
bonds (distance) P-C4' energy: -54.588
flat angles C4'-P-C4' energy: -44.277
flat angles P-C4'-P energy: -38.343
tors. eta vs tors. theta energy: 9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -590.661480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.661480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.661480 (E_RNA)
where:
Base-Base interactions energy: -282.086
where: short stacking energy: -210.543
Base-Backbone interact. energy: -0.314
local terms energy: -308.261431
where:
bonds (distance) C4'-P energy: -69.187
bonds (distance) P-C4' energy: -71.907
flat angles C4'-P-C4' energy: -66.024
flat angles P-C4'-P energy: -42.424
tors. eta vs tors. theta energy: -58.719
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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -498.940938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.940938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.940938 (E_RNA)
where:
Base-Base interactions energy: -228.451
where: short stacking energy: -150.222
Base-Backbone interact. energy: -1.505
local terms energy: -268.984979
where:
bonds (distance) C4'-P energy: -57.153
bonds (distance) P-C4' energy: -68.839
flat angles C4'-P-C4' energy: -65.758
flat angles P-C4'-P energy: -37.916
tors. eta vs tors. theta energy: -39.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -536.179552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.179552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.179552 (E_RNA)
where:
Base-Base interactions energy: -245.123
where: short stacking energy: -168.799
Base-Backbone interact. energy: 0.213
local terms energy: -291.270016
where:
bonds (distance) C4'-P energy: -71.148
bonds (distance) P-C4' energy: -68.953
flat angles C4'-P-C4' energy: -66.069
flat angles P-C4'-P energy: -44.947
tors. eta vs tors. theta energy: -40.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -434.468072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.468072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.468072 (E_RNA)
where:
Base-Base interactions energy: -201.740
where: short stacking energy: -170.255
Base-Backbone interact. energy: 4.501
local terms energy: -237.228424
where:
bonds (distance) C4'-P energy: -61.920
bonds (distance) P-C4' energy: -55.306
flat angles C4'-P-C4' energy: -52.647
flat angles P-C4'-P energy: -37.237
tors. eta vs tors. theta energy: -30.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -368.860334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.860334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.860334 (E_RNA)
where:
Base-Base interactions energy: -134.621
where: short stacking energy: -118.080
Base-Backbone interact. energy: 1.966
local terms energy: -236.204842
where:
bonds (distance) C4'-P energy: -62.032
bonds (distance) P-C4' energy: -60.122
flat angles C4'-P-C4' energy: -56.668
flat angles P-C4'-P energy: -44.373
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -366.264077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.264077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.264077 (E_RNA)
where:
Base-Base interactions energy: -153.467
where: short stacking energy: -93.434
Base-Backbone interact. energy: 0.654
local terms energy: -213.451756
where:
bonds (distance) C4'-P energy: -50.642
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -65.988
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: 3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -344.304919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.304919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.304919 (E_RNA)
where:
Base-Base interactions energy: -128.800
where: short stacking energy: -87.023
Base-Backbone interact. energy: -0.207
local terms energy: -215.298222
where:
bonds (distance) C4'-P energy: -54.517
bonds (distance) P-C4' energy: -61.445
flat angles C4'-P-C4' energy: -51.394
flat angles P-C4'-P energy: -49.457
tors. eta vs tors. theta energy: 1.515
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -300.867939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.867939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.867939 (E_RNA)
where:
Base-Base interactions energy: -92.314
where: short stacking energy: -85.541
Base-Backbone interact. energy: 0.907
local terms energy: -209.461378
where:
bonds (distance) C4'-P energy: -66.210
bonds (distance) P-C4' energy: -50.476
flat angles C4'-P-C4' energy: -53.808
flat angles P-C4'-P energy: -29.719
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -283.964098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.964098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.964098 (E_RNA)
where:
Base-Base interactions energy: -78.097
where: short stacking energy: -70.757
Base-Backbone interact. energy: -2.140
local terms energy: -203.727196
where:
bonds (distance) C4'-P energy: -59.814
bonds (distance) P-C4' energy: -57.776
flat angles C4'-P-C4' energy: -59.223
flat angles P-C4'-P energy: -26.652
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -267.323518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.323518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.323518 (E_RNA)
where:
Base-Base interactions energy: -102.793
where: short stacking energy: -62.322
Base-Backbone interact. energy: 6.310
local terms energy: -170.841267
where:
bonds (distance) C4'-P energy: -56.758
bonds (distance) P-C4' energy: -55.786
flat angles C4'-P-C4' energy: -42.875
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: 9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -572.618787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.618787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.618787 (E_RNA)
where:
Base-Base interactions energy: -264.903
where: short stacking energy: -208.010
Base-Backbone interact. energy: -0.465
local terms energy: -307.250565
where:
bonds (distance) C4'-P energy: -74.961
bonds (distance) P-C4' energy: -68.736
flat angles C4'-P-C4' energy: -70.800
flat angles P-C4'-P energy: -40.520
tors. eta vs tors. theta energy: -52.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -574.630103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.630103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.630103 (E_RNA)
where:
Base-Base interactions energy: -281.136
where: short stacking energy: -161.964
Base-Backbone interact. energy: -0.075
local terms energy: -293.418413
where:
bonds (distance) C4'-P energy: -68.415
bonds (distance) P-C4' energy: -70.532
flat angles C4'-P-C4' energy: -71.523
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -41.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -523.362243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.362243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.362243 (E_RNA)
where:
Base-Base interactions energy: -256.437
where: short stacking energy: -175.075
Base-Backbone interact. energy: -1.080
local terms energy: -265.845324
where:
bonds (distance) C4'-P energy: -67.412
bonds (distance) P-C4' energy: -71.253
flat angles C4'-P-C4' energy: -56.912
flat angles P-C4'-P energy: -32.747
tors. eta vs tors. theta energy: -37.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -461.492916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.492916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.492916 (E_RNA)
where:
Base-Base interactions energy: -190.422
where: short stacking energy: -142.572
Base-Backbone interact. energy: -0.122
local terms energy: -270.949122
where:
bonds (distance) C4'-P energy: -63.093
bonds (distance) P-C4' energy: -63.755
flat angles C4'-P-C4' energy: -70.888
flat angles P-C4'-P energy: -42.339
tors. eta vs tors. theta energy: -30.874
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: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -361.092596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.092596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.092596 (E_RNA)
where:
Base-Base interactions energy: -127.954
where: short stacking energy: -87.918
Base-Backbone interact. energy: -2.232
local terms energy: -230.906467
where:
bonds (distance) C4'-P energy: -59.451
bonds (distance) P-C4' energy: -59.176
flat angles C4'-P-C4' energy: -58.070
flat angles P-C4'-P energy: -36.953
tors. eta vs tors. theta energy: -17.255
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: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -361.862956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.862956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.862956 (E_RNA)
where:
Base-Base interactions energy: -124.100
where: short stacking energy: -101.358
Base-Backbone interact. energy: 0.187
local terms energy: -237.949657
where:
bonds (distance) C4'-P energy: -64.596
bonds (distance) P-C4' energy: -60.992
flat angles C4'-P-C4' energy: -59.345
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -25.361
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: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -333.894744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.894744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.894744 (E_RNA)
where:
Base-Base interactions energy: -128.947
where: short stacking energy: -98.020
Base-Backbone interact. energy: 0.474
local terms energy: -205.421688
where:
bonds (distance) C4'-P energy: -53.930
bonds (distance) P-C4' energy: -61.980
flat angles C4'-P-C4' energy: -44.902
flat angles P-C4'-P energy: -31.000
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: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -293.331311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.331311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.331311 (E_RNA)
where:
Base-Base interactions energy: -93.710
where: short stacking energy: -82.306
Base-Backbone interact. energy: -1.494
local terms energy: -198.127790
where:
bonds (distance) C4'-P energy: -62.874
bonds (distance) P-C4' energy: -59.747
flat angles C4'-P-C4' energy: -44.811
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -275.286088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.286088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.286088 (E_RNA)
where:
Base-Base interactions energy: -96.561
where: short stacking energy: -67.553
Base-Backbone interact. energy: 0.845
local terms energy: -180.294447
where:
bonds (distance) C4'-P energy: -64.828
bonds (distance) P-C4' energy: -64.223
flat angles C4'-P-C4' energy: -33.304
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: 9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.724 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -250.897404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.897404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.897404 (E_RNA)
where:
Base-Base interactions energy: -72.225
where: short stacking energy: -63.092
Base-Backbone interact. energy: -1.168
local terms energy: -177.504393
where:
bonds (distance) C4'-P energy: -38.421
bonds (distance) P-C4' energy: -62.087
flat angles C4'-P-C4' energy: -56.473
flat angles P-C4'-P energy: -31.889
tors. eta vs tors. theta energy: 11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -585.579198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.579198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.579198 (E_RNA)
where:
Base-Base interactions energy: -264.160
where: short stacking energy: -228.651
Base-Backbone interact. energy: -0.365
local terms energy: -321.054077
where:
bonds (distance) C4'-P energy: -70.821
bonds (distance) P-C4' energy: -64.868
flat angles C4'-P-C4' energy: -76.787
flat angles P-C4'-P energy: -44.294
tors. eta vs tors. theta energy: -64.284
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: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -607.347126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.347126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.347126 (E_RNA)
where:
Base-Base interactions energy: -324.792
where: short stacking energy: -183.624
Base-Backbone interact. energy: -0.550
local terms energy: -282.004675
where:
bonds (distance) C4'-P energy: -65.693
bonds (distance) P-C4' energy: -60.571
flat angles C4'-P-C4' energy: -61.663
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: -48.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -555.859775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.859775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.859775 (E_RNA)
where:
Base-Base interactions energy: -291.041
where: short stacking energy: -163.816
Base-Backbone interact. energy: -1.128
local terms energy: -263.690809
where:
bonds (distance) C4'-P energy: -62.664
bonds (distance) P-C4' energy: -59.965
flat angles C4'-P-C4' energy: -66.756
flat angles P-C4'-P energy: -35.597
tors. eta vs tors. theta energy: -38.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -478.825719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.825719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.825719 (E_RNA)
where:
Base-Base interactions energy: -217.933
where: short stacking energy: -162.838
Base-Backbone interact. energy: -0.852
local terms energy: -260.040728
where:
bonds (distance) C4'-P energy: -65.113
bonds (distance) P-C4' energy: -71.799
flat angles C4'-P-C4' energy: -64.749
flat angles P-C4'-P energy: -32.994
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -374.533902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.533902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.533902 (E_RNA)
where:
Base-Base interactions energy: -148.015
where: short stacking energy: -108.531
Base-Backbone interact. energy: -0.585
local terms energy: -225.933455
where:
bonds (distance) C4'-P energy: -51.471
bonds (distance) P-C4' energy: -69.776
flat angles C4'-P-C4' energy: -60.711
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -404.324882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.324882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.324882 (E_RNA)
where:
Base-Base interactions energy: -183.720
where: short stacking energy: -114.873
Base-Backbone interact. energy: 2.855
local terms energy: -223.459498
where:
bonds (distance) C4'-P energy: -51.533
bonds (distance) P-C4' energy: -76.785
flat angles C4'-P-C4' energy: -62.943
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -7.523
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: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -339.889038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.889038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.889038 (E_RNA)
where:
Base-Base interactions energy: -116.156
where: short stacking energy: -102.649
Base-Backbone interact. energy: 6.458
local terms energy: -230.191199
where:
bonds (distance) C4'-P energy: -62.593
bonds (distance) P-C4' energy: -61.808
flat angles C4'-P-C4' energy: -53.633
flat angles P-C4'-P energy: -51.559
tors. eta vs tors. theta energy: -0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -322.546453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.546453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.546453 (E_RNA)
where:
Base-Base interactions energy: -113.138
where: short stacking energy: -87.358
Base-Backbone interact. energy: 0.036
local terms energy: -209.444189
where:
bonds (distance) C4'-P energy: -52.627
bonds (distance) P-C4' energy: -60.162
flat angles C4'-P-C4' energy: -48.769
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -279.953193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.953193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.953193 (E_RNA)
where:
Base-Base interactions energy: -82.997
where: short stacking energy: -79.853
Base-Backbone interact. energy: 1.872
local terms energy: -198.828713
where:
bonds (distance) C4'-P energy: -52.045
bonds (distance) P-C4' energy: -58.364
flat angles C4'-P-C4' energy: -55.893
flat angles P-C4'-P energy: -28.883
tors. eta vs tors. theta energy: -3.643
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: 7
Temperature: 1.350000
Total energy: -281.402140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.402140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.402140 (E_RNA)
where:
Base-Base interactions energy: -116.540
where: short stacking energy: -101.657
Base-Backbone interact. energy: 1.915
local terms energy: -166.777288
where:
bonds (distance) C4'-P energy: -47.068
bonds (distance) P-C4' energy: -36.612
flat angles C4'-P-C4' energy: -47.432
flat angles P-C4'-P energy: -29.913
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -692.985121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.985121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.985121 (E_RNA)
where:
Base-Base interactions energy: -394.989
where: short stacking energy: -194.817
Base-Backbone interact. energy: -0.960
local terms energy: -297.035618
where:
bonds (distance) C4'-P energy: -68.076
bonds (distance) P-C4' energy: -73.037
flat angles C4'-P-C4' energy: -70.855
flat angles P-C4'-P energy: -43.773
tors. eta vs tors. theta energy: -41.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -516.129525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.129525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.129525 (E_RNA)
where:
Base-Base interactions energy: -231.820
where: short stacking energy: -173.170
Base-Backbone interact. energy: -0.759
local terms energy: -283.550858
where:
bonds (distance) C4'-P energy: -72.375
bonds (distance) P-C4' energy: -71.634
flat angles C4'-P-C4' energy: -56.339
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -44.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -542.265364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.265364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.265364 (E_RNA)
where:
Base-Base interactions energy: -266.700
where: short stacking energy: -162.969
Base-Backbone interact. energy: -0.029
local terms energy: -275.536527
where:
bonds (distance) C4'-P energy: -58.656
bonds (distance) P-C4' energy: -67.080
flat angles C4'-P-C4' energy: -68.166
flat angles P-C4'-P energy: -50.523
tors. eta vs tors. theta energy: -31.111
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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -525.982586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.982586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.982586 (E_RNA)
where:
Base-Base interactions energy: -251.791
where: short stacking energy: -151.835
Base-Backbone interact. energy: -1.484
local terms energy: -272.707517
where:
bonds (distance) C4'-P energy: -58.237
bonds (distance) P-C4' energy: -64.701
flat angles C4'-P-C4' energy: -61.874
flat angles P-C4'-P energy: -47.383
tors. eta vs tors. theta energy: -40.513
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: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -447.732424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.732424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.732424 (E_RNA)
where:
Base-Base interactions energy: -226.511
where: short stacking energy: -154.911
Base-Backbone interact. energy: 2.386
local terms energy: -223.607450
where:
bonds (distance) C4'-P energy: -47.339
bonds (distance) P-C4' energy: -58.273
flat angles C4'-P-C4' energy: -62.607
flat angles P-C4'-P energy: -35.238
tors. eta vs tors. theta energy: -20.151
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: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -400.858130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.858130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.858130 (E_RNA)
where:
Base-Base interactions energy: -144.534
where: short stacking energy: -115.264
Base-Backbone interact. energy: 1.744
local terms energy: -258.068586
where:
bonds (distance) C4'-P energy: -63.376
bonds (distance) P-C4' energy: -70.968
flat angles C4'-P-C4' energy: -57.864
flat angles P-C4'-P energy: -43.633
tors. eta vs tors. theta energy: -22.227
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: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -305.631529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.631529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.631529 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -79.799
Base-Backbone interact. energy: -0.729
local terms energy: -198.255440
where:
bonds (distance) C4'-P energy: -50.971
bonds (distance) P-C4' energy: -63.334
flat angles C4'-P-C4' energy: -50.623
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: 4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -301.053776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.053776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.053776 (E_RNA)
where:
Base-Base interactions energy: -124.148
where: short stacking energy: -86.486
Base-Backbone interact. energy: 0.870
local terms energy: -177.775684
where:
bonds (distance) C4'-P energy: -48.165
bonds (distance) P-C4' energy: -59.052
flat angles C4'-P-C4' energy: -42.864
flat angles P-C4'-P energy: -31.796
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -269.672071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.672071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.672071 (E_RNA)
where:
Base-Base interactions energy: -78.209
where: short stacking energy: -59.706
Base-Backbone interact. energy: -2.175
local terms energy: -189.288100
where:
bonds (distance) C4'-P energy: -63.591
bonds (distance) P-C4' energy: -54.126
flat angles C4'-P-C4' energy: -48.223
flat angles P-C4'-P energy: -37.766
tors. eta vs tors. theta energy: 14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -251.907055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.907055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.907055 (E_RNA)
where:
Base-Base interactions energy: -68.331
where: short stacking energy: -61.706
Base-Backbone interact. energy: -1.063
local terms energy: -182.512725
where:
bonds (distance) C4'-P energy: -45.083
bonds (distance) P-C4' energy: -64.613
flat angles C4'-P-C4' energy: -49.750
flat angles P-C4'-P energy: -27.975
tors. eta vs tors. theta energy: 4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -721.507174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.507174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.507174 (E_RNA)
where:
Base-Base interactions energy: -409.440
where: short stacking energy: -215.676
Base-Backbone interact. energy: -0.310
local terms energy: -311.757426
where:
bonds (distance) C4'-P energy: -73.175
bonds (distance) P-C4' energy: -75.156
flat angles C4'-P-C4' energy: -66.446
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -54.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -652.609464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.609464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.609464 (E_RNA)
where:
Base-Base interactions energy: -358.128
where: short stacking energy: -219.462
Base-Backbone interact. energy: -1.161
local terms energy: -293.320529
where:
bonds (distance) C4'-P energy: -59.539
bonds (distance) P-C4' energy: -68.975
flat angles C4'-P-C4' energy: -61.342
flat angles P-C4'-P energy: -50.813
tors. eta vs tors. theta energy: -52.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -500.742595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.742595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.742595 (E_RNA)
where:
Base-Base interactions energy: -234.676
where: short stacking energy: -165.304
Base-Backbone interact. energy: -0.484
local terms energy: -265.583070
where:
bonds (distance) C4'-P energy: -64.182
bonds (distance) P-C4' energy: -62.376
flat angles C4'-P-C4' energy: -59.768
flat angles P-C4'-P energy: -34.185
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: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -517.602603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.602603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.602603 (E_RNA)
where:
Base-Base interactions energy: -257.756
where: short stacking energy: -134.389
Base-Backbone interact. energy: -1.318
local terms energy: -258.527874
where:
bonds (distance) C4'-P energy: -70.856
bonds (distance) P-C4' energy: -76.053
flat angles C4'-P-C4' energy: -62.145
flat angles P-C4'-P energy: -33.261
tors. eta vs tors. theta energy: -16.213
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: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -464.603584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.603584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.603584 (E_RNA)
where:
Base-Base interactions energy: -216.351
where: short stacking energy: -138.569
Base-Backbone interact. energy: -1.894
local terms energy: -246.359439
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -66.671
flat angles C4'-P-C4' energy: -61.607
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -36.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -361.637087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.637087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.637087 (E_RNA)
where:
Base-Base interactions energy: -135.844
where: short stacking energy: -103.676
Base-Backbone interact. energy: -1.198
local terms energy: -225.800490
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -61.744
flat angles C4'-P-C4' energy: -68.285
flat angles P-C4'-P energy: -37.507
tors. eta vs tors. theta energy: -1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.205 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -315.976347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.976347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.976347 (E_RNA)
where:
Base-Base interactions energy: -128.027
where: short stacking energy: -111.467
Base-Backbone interact. energy: 0.582
local terms energy: -188.530920
where:
bonds (distance) C4'-P energy: -59.298
bonds (distance) P-C4' energy: -46.777
flat angles C4'-P-C4' energy: -52.393
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -310.290260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.290260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.290260 (E_RNA)
where:
Base-Base interactions energy: -144.825
where: short stacking energy: -106.931
Base-Backbone interact. energy: -0.870
local terms energy: -164.595735
where:
bonds (distance) C4'-P energy: -39.355
bonds (distance) P-C4' energy: -54.517
flat angles C4'-P-C4' energy: -45.949
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -7.414
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: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -278.429619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.429619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.429619 (E_RNA)
where:
Base-Base interactions energy: -77.585
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.885
local terms energy: -200.629179
where:
bonds (distance) C4'-P energy: -60.633
bonds (distance) P-C4' energy: -60.843
flat angles C4'-P-C4' energy: -61.895
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: 11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.669 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -263.589008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.589008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.589008 (E_RNA)
where:
Base-Base interactions energy: -87.896
where: short stacking energy: -81.537
Base-Backbone interact. energy: -0.277
local terms energy: -175.415706
where:
bonds (distance) C4'-P energy: -54.644
bonds (distance) P-C4' energy: -49.775
flat angles C4'-P-C4' energy: -45.302
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: 2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -687.010605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.010605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.010605 (E_RNA)
where:
Base-Base interactions energy: -383.281
where: short stacking energy: -207.565
Base-Backbone interact. energy: 0.357
local terms energy: -304.086332
where:
bonds (distance) C4'-P energy: -68.011
bonds (distance) P-C4' energy: -65.687
flat angles C4'-P-C4' energy: -65.880
flat angles P-C4'-P energy: -46.493
tors. eta vs tors. theta energy: -58.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -648.929045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.929045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.929045 (E_RNA)
where:
Base-Base interactions energy: -353.773
where: short stacking energy: -209.893
Base-Backbone interact. energy: -0.623
local terms energy: -294.533057
where:
bonds (distance) C4'-P energy: -61.633
bonds (distance) P-C4' energy: -71.427
flat angles C4'-P-C4' energy: -56.975
flat angles P-C4'-P energy: -47.348
tors. eta vs tors. theta energy: -57.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -535.821652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.821652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.821652 (E_RNA)
where:
Base-Base interactions energy: -268.412
where: short stacking energy: -152.573
Base-Backbone interact. energy: -0.899
local terms energy: -266.510744
where:
bonds (distance) C4'-P energy: -69.492
bonds (distance) P-C4' energy: -73.685
flat angles C4'-P-C4' energy: -56.823
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -29.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -460.918830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.918830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.918830 (E_RNA)
where:
Base-Base interactions energy: -207.148
where: short stacking energy: -144.466
Base-Backbone interact. energy: -2.081
local terms energy: -251.689518
where:
bonds (distance) C4'-P energy: -65.514
bonds (distance) P-C4' energy: -72.897
flat angles C4'-P-C4' energy: -58.184
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -24.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -510.658790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.658790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.658790 (E_RNA)
where:
Base-Base interactions energy: -238.527
where: short stacking energy: -158.852
Base-Backbone interact. energy: -1.158
local terms energy: -270.974510
where:
bonds (distance) C4'-P energy: -57.292
bonds (distance) P-C4' energy: -77.187
flat angles C4'-P-C4' energy: -65.069
flat angles P-C4'-P energy: -36.178
tors. eta vs tors. theta energy: -35.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -351.141626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.141626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.141626 (E_RNA)
where:
Base-Base interactions energy: -118.319
where: short stacking energy: -85.763
Base-Backbone interact. energy: -1.944
local terms energy: -230.878722
where:
bonds (distance) C4'-P energy: -67.557
bonds (distance) P-C4' energy: -57.600
flat angles C4'-P-C4' energy: -56.373
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -312.561269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.561269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.561269 (E_RNA)
where:
Base-Base interactions energy: -99.093
where: short stacking energy: -90.006
Base-Backbone interact. energy: 1.180
local terms energy: -214.647979
where:
bonds (distance) C4'-P energy: -64.828
bonds (distance) P-C4' energy: -62.980
flat angles C4'-P-C4' energy: -57.382
flat angles P-C4'-P energy: -31.457
tors. eta vs tors. theta energy: 1.999
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: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -312.232685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.232685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.232685 (E_RNA)
where:
Base-Base interactions energy: -114.023
where: short stacking energy: -91.552
Base-Backbone interact. energy: -1.845
local terms energy: -196.364417
where:
bonds (distance) C4'-P energy: -66.552
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -53.355
flat angles P-C4'-P energy: -28.702
tors. eta vs tors. theta energy: 0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -287.097303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.097303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.097303 (E_RNA)
where:
Base-Base interactions energy: -83.864
where: short stacking energy: -89.890
Base-Backbone interact. energy: 2.686
local terms energy: -205.919255
where:
bonds (distance) C4'-P energy: -63.210
bonds (distance) P-C4' energy: -60.160
flat angles C4'-P-C4' energy: -55.452
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: 4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -242.997276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.997276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.997276 (E_RNA)
where:
Base-Base interactions energy: -59.944
where: short stacking energy: -53.584
Base-Backbone interact. energy: 6.544
local terms energy: -189.597374
where:
bonds (distance) C4'-P energy: -58.370
bonds (distance) P-C4' energy: -62.209
flat angles C4'-P-C4' energy: -45.516
flat angles P-C4'-P energy: -27.530
tors. eta vs tors. theta energy: 4.028
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: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -694.503913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.503913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.503913 (E_RNA)
where:
Base-Base interactions energy: -407.951
where: short stacking energy: -199.956
Base-Backbone interact. energy: -0.709
local terms energy: -285.844013
where:
bonds (distance) C4'-P energy: -61.375
bonds (distance) P-C4' energy: -72.379
flat angles C4'-P-C4' energy: -56.231
flat angles P-C4'-P energy: -48.625
tors. eta vs tors. theta energy: -47.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -711.410989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.410989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.410989 (E_RNA)
where:
Base-Base interactions energy: -428.128
where: short stacking energy: -235.827
Base-Backbone interact. energy: -0.647
local terms energy: -282.635728
where:
bonds (distance) C4'-P energy: -62.412
bonds (distance) P-C4' energy: -62.430
flat angles C4'-P-C4' energy: -62.907
flat angles P-C4'-P energy: -35.413
tors. eta vs tors. theta energy: -59.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -580.388595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.388595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.388595 (E_RNA)
where:
Base-Base interactions energy: -284.956
where: short stacking energy: -181.833
Base-Backbone interact. energy: -3.655
local terms energy: -291.777979
where:
bonds (distance) C4'-P energy: -66.549
bonds (distance) P-C4' energy: -71.819
flat angles C4'-P-C4' energy: -67.766
flat angles P-C4'-P energy: -44.976
tors. eta vs tors. theta energy: -40.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -588.870157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.870157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.870157 (E_RNA)
where:
Base-Base interactions energy: -330.511
where: short stacking energy: -164.219
Base-Backbone interact. energy: -1.805
local terms energy: -256.553830
where:
bonds (distance) C4'-P energy: -67.063
bonds (distance) P-C4' energy: -61.644
flat angles C4'-P-C4' energy: -61.615
flat angles P-C4'-P energy: -30.650
tors. eta vs tors. theta energy: -35.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -412.540567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.540567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.540567 (E_RNA)
where:
Base-Base interactions energy: -171.952
where: short stacking energy: -140.234
Base-Backbone interact. energy: -1.369
local terms energy: -239.218984
where:
bonds (distance) C4'-P energy: -70.937
bonds (distance) P-C4' energy: -56.865
flat angles C4'-P-C4' energy: -53.168
flat angles P-C4'-P energy: -40.431
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -389.545081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.545081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.545081 (E_RNA)
where:
Base-Base interactions energy: -169.725
where: short stacking energy: -109.867
Base-Backbone interact. energy: 2.419
local terms energy: -222.238892
where:
bonds (distance) C4'-P energy: -59.250
bonds (distance) P-C4' energy: -61.953
flat angles C4'-P-C4' energy: -52.284
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -15.391
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: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -343.277489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.277489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.277489 (E_RNA)
where:
Base-Base interactions energy: -113.185
where: short stacking energy: -94.446
Base-Backbone interact. energy: -2.099
local terms energy: -227.993388
where:
bonds (distance) C4'-P energy: -64.100
bonds (distance) P-C4' energy: -68.423
flat angles C4'-P-C4' energy: -58.873
flat angles P-C4'-P energy: -30.145
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -309.256882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.256882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.256882 (E_RNA)
where:
Base-Base interactions energy: -107.880
where: short stacking energy: -101.939
Base-Backbone interact. energy: 1.130
local terms energy: -202.506917
where:
bonds (distance) C4'-P energy: -61.257
bonds (distance) P-C4' energy: -55.581
flat angles C4'-P-C4' energy: -57.994
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -272.037438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.037438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.037438 (E_RNA)
where:
Base-Base interactions energy: -99.518
where: short stacking energy: -79.687
Base-Backbone interact. energy: 0.526
local terms energy: -173.045146
where:
bonds (distance) C4'-P energy: -62.283
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -47.492
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: 13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -271.734867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.734867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.734867 (E_RNA)
where:
Base-Base interactions energy: -77.699
where: short stacking energy: -62.816
Base-Backbone interact. energy: -1.343
local terms energy: -192.692648
where:
bonds (distance) C4'-P energy: -44.590
bonds (distance) P-C4' energy: -65.675
flat angles C4'-P-C4' energy: -47.060
flat angles P-C4'-P energy: -38.378
tors. eta vs tors. theta energy: 3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -789.179438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.179438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.179438 (E_RNA)
where:
Base-Base interactions energy: -462.948
where: short stacking energy: -232.499
Base-Backbone interact. energy: 0.107
local terms energy: -326.338372
where:
bonds (distance) C4'-P energy: -67.407
bonds (distance) P-C4' energy: -66.109
flat angles C4'-P-C4' energy: -77.380
flat angles P-C4'-P energy: -50.719
tors. eta vs tors. theta energy: -64.723
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: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -701.236096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.236096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.236096 (E_RNA)
where:
Base-Base interactions energy: -402.252
where: short stacking energy: -231.792
Base-Backbone interact. energy: 0.414
local terms energy: -299.398334
where:
bonds (distance) C4'-P energy: -66.388
bonds (distance) P-C4' energy: -66.783
flat angles C4'-P-C4' energy: -58.225
flat angles P-C4'-P energy: -40.655
tors. eta vs tors. theta energy: -67.348
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: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -668.785841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.785841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.785841 (E_RNA)
where:
Base-Base interactions energy: -393.773
where: short stacking energy: -190.876
Base-Backbone interact. energy: -0.436
local terms energy: -274.577448
where:
bonds (distance) C4'-P energy: -71.577
bonds (distance) P-C4' energy: -61.108
flat angles C4'-P-C4' energy: -71.723
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -32.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -532.546183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.546183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.546183 (E_RNA)
where:
Base-Base interactions energy: -272.349
where: short stacking energy: -168.333
Base-Backbone interact. energy: -0.072
local terms energy: -260.125230
where:
bonds (distance) C4'-P energy: -57.033
bonds (distance) P-C4' energy: -63.721
flat angles C4'-P-C4' energy: -51.065
flat angles P-C4'-P energy: -43.442
tors. eta vs tors. theta energy: -44.863
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: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -413.671778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.671778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.671778 (E_RNA)
where:
Base-Base interactions energy: -173.400
where: short stacking energy: -115.801
Base-Backbone interact. energy: -0.461
local terms energy: -239.810025
where:
bonds (distance) C4'-P energy: -60.784
bonds (distance) P-C4' energy: -70.492
flat angles C4'-P-C4' energy: -58.961
flat angles P-C4'-P energy: -29.508
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -443.430837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.430837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.430837 (E_RNA)
where:
Base-Base interactions energy: -229.709
where: short stacking energy: -112.663
Base-Backbone interact. energy: -0.131
local terms energy: -213.590400
where:
bonds (distance) C4'-P energy: -43.767
bonds (distance) P-C4' energy: -64.040
flat angles C4'-P-C4' energy: -53.511
flat angles P-C4'-P energy: -37.299
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -329.007371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.007371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.007371 (E_RNA)
where:
Base-Base interactions energy: -146.389
where: short stacking energy: -95.343
Base-Backbone interact. energy: -2.063
local terms energy: -180.555393
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -59.142
flat angles C4'-P-C4' energy: -49.746
flat angles P-C4'-P energy: -36.368
tors. eta vs tors. theta energy: 15.003
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: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -311.607893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.607893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.607893 (E_RNA)
where:
Base-Base interactions energy: -134.455
where: short stacking energy: -96.541
Base-Backbone interact. energy: 1.159
local terms energy: -178.312161
where:
bonds (distance) C4'-P energy: -43.436
bonds (distance) P-C4' energy: -49.902
flat angles C4'-P-C4' energy: -54.245
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -296.707515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.707515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.707515 (E_RNA)
where:
Base-Base interactions energy: -122.157
where: short stacking energy: -73.376
Base-Backbone interact. energy: -2.154
local terms energy: -172.396470
where:
bonds (distance) C4'-P energy: -52.237
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -41.582
flat angles P-C4'-P energy: -35.789
tors. eta vs tors. theta energy: 8.945
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: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -254.354206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.354206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.354206 (E_RNA)
where:
Base-Base interactions energy: -71.410
where: short stacking energy: -64.986
Base-Backbone interact. energy: 4.295
local terms energy: -187.239891
where:
bonds (distance) C4'-P energy: -53.295
bonds (distance) P-C4' energy: -64.772
flat angles C4'-P-C4' energy: -53.881
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: 6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -726.204866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.204866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.204866 (E_RNA)
where:
Base-Base interactions energy: -422.208
where: short stacking energy: -221.578
Base-Backbone interact. energy: -1.310
local terms energy: -302.686187
where:
bonds (distance) C4'-P energy: -70.808
bonds (distance) P-C4' energy: -63.788
flat angles C4'-P-C4' energy: -67.060
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -57.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -711.670200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.670200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.670200 (E_RNA)
where:
Base-Base interactions energy: -385.666
where: short stacking energy: -211.555
Base-Backbone interact. energy: -1.192
local terms energy: -324.811693
where:
bonds (distance) C4'-P energy: -75.075
bonds (distance) P-C4' energy: -67.730
flat angles C4'-P-C4' energy: -70.367
flat angles P-C4'-P energy: -43.909
tors. eta vs tors. theta energy: -67.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -689.832404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.832404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.832404 (E_RNA)
where:
Base-Base interactions energy: -405.590
where: short stacking energy: -213.899
Base-Backbone interact. energy: -1.474
local terms energy: -282.768234
where:
bonds (distance) C4'-P energy: -62.619
bonds (distance) P-C4' energy: -64.948
flat angles C4'-P-C4' energy: -56.866
flat angles P-C4'-P energy: -43.337
tors. eta vs tors. theta energy: -54.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -562.524750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.524750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.524750 (E_RNA)
where:
Base-Base interactions energy: -293.357
where: short stacking energy: -144.165
Base-Backbone interact. energy: -2.797
local terms energy: -266.371084
where:
bonds (distance) C4'-P energy: -62.999
bonds (distance) P-C4' energy: -68.828
flat angles C4'-P-C4' energy: -68.353
flat angles P-C4'-P energy: -34.541
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: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -407.648121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.648121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.648121 (E_RNA)
where:
Base-Base interactions energy: -163.278
where: short stacking energy: -138.053
Base-Backbone interact. energy: 1.881
local terms energy: -246.251137
where:
bonds (distance) C4'-P energy: -57.938
bonds (distance) P-C4' energy: -59.876
flat angles C4'-P-C4' energy: -59.471
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -31.011
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: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -442.607628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.607628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.607628 (E_RNA)
where:
Base-Base interactions energy: -204.508
where: short stacking energy: -120.482
Base-Backbone interact. energy: -1.128
local terms energy: -236.972450
where:
bonds (distance) C4'-P energy: -61.209
bonds (distance) P-C4' energy: -70.278
flat angles C4'-P-C4' energy: -51.844
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -27.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -350.453859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.453859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.453859 (E_RNA)
where:
Base-Base interactions energy: -146.904
where: short stacking energy: -114.590
Base-Backbone interact. energy: 5.999
local terms energy: -209.549501
where:
bonds (distance) C4'-P energy: -50.732
bonds (distance) P-C4' energy: -59.768
flat angles C4'-P-C4' energy: -65.458
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -290.782706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.782706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.782706 (E_RNA)
where:
Base-Base interactions energy: -109.928
where: short stacking energy: -67.210
Base-Backbone interact. energy: 1.297
local terms energy: -182.151439
where:
bonds (distance) C4'-P energy: -58.911
bonds (distance) P-C4' energy: -59.857
flat angles C4'-P-C4' energy: -47.404
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: 6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -292.212909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.212909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.212909 (E_RNA)
where:
Base-Base interactions energy: -93.032
where: short stacking energy: -65.690
Base-Backbone interact. energy: 1.804
local terms energy: -200.985161
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -64.672
flat angles C4'-P-C4' energy: -45.747
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: 3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -255.779608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.779608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.779608 (E_RNA)
where:
Base-Base interactions energy: -80.396
where: short stacking energy: -65.542
Base-Backbone interact. energy: -2.849
local terms energy: -172.534752
where:
bonds (distance) C4'-P energy: -62.313
bonds (distance) P-C4' energy: -47.565
flat angles C4'-P-C4' energy: -49.200
flat angles P-C4'-P energy: -24.237
tors. eta vs tors. theta energy: 10.781
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -740.137656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.137656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.137656 (E_RNA)
where:
Base-Base interactions energy: -450.286
where: short stacking energy: -205.296
Base-Backbone interact. energy: -0.757
local terms energy: -289.095312
where:
bonds (distance) C4'-P energy: -74.393
bonds (distance) P-C4' energy: -64.350
flat angles C4'-P-C4' energy: -64.144
flat angles P-C4'-P energy: -40.821
tors. eta vs tors. theta energy: -45.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -740.053599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.053599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.053599 (E_RNA)
where:
Base-Base interactions energy: -413.979
where: short stacking energy: -226.775
Base-Backbone interact. energy: -0.795
local terms energy: -325.279656
where:
bonds (distance) C4'-P energy: -73.399
bonds (distance) P-C4' energy: -68.974
flat angles C4'-P-C4' energy: -69.014
flat angles P-C4'-P energy: -52.715
tors. eta vs tors. theta energy: -61.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -729.612660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.612660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.612660 (E_RNA)
where:
Base-Base interactions energy: -458.330
where: short stacking energy: -201.191
Base-Backbone interact. energy: -1.728
local terms energy: -269.554989
where:
bonds (distance) C4'-P energy: -62.705
bonds (distance) P-C4' energy: -65.517
flat angles C4'-P-C4' energy: -60.804
flat angles P-C4'-P energy: -31.602
tors. eta vs tors. theta energy: -48.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -579.954174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.954174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.954174 (E_RNA)
where:
Base-Base interactions energy: -325.140
where: short stacking energy: -192.355
Base-Backbone interact. energy: -0.705
local terms energy: -254.109494
where:
bonds (distance) C4'-P energy: -54.844
bonds (distance) P-C4' energy: -65.837
flat angles C4'-P-C4' energy: -65.444
flat angles P-C4'-P energy: -36.506
tors. eta vs tors. theta energy: -31.479
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: 14
Temperature: 1.100000
Total energy: -427.436577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.436577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.436577 (E_RNA)
where:
Base-Base interactions energy: -181.899
where: short stacking energy: -129.066
Base-Backbone interact. energy: -0.408
local terms energy: -245.129648
where:
bonds (distance) C4'-P energy: -61.122
bonds (distance) P-C4' energy: -62.713
flat angles C4'-P-C4' energy: -58.229
flat angles P-C4'-P energy: -43.573
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: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -368.150625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.150625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.150625 (E_RNA)
where:
Base-Base interactions energy: -149.678
where: short stacking energy: -106.447
Base-Backbone interact. energy: -0.677
local terms energy: -217.795741
where:
bonds (distance) C4'-P energy: -59.438
bonds (distance) P-C4' energy: -51.755
flat angles C4'-P-C4' energy: -51.916
flat angles P-C4'-P energy: -40.174
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -371.887088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.887088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.887088 (E_RNA)
where:
Base-Base interactions energy: -140.000
where: short stacking energy: -96.177
Base-Backbone interact. energy: 0.202
local terms energy: -232.089363
where:
bonds (distance) C4'-P energy: -67.770
bonds (distance) P-C4' energy: -59.395
flat angles C4'-P-C4' energy: -57.210
flat angles P-C4'-P energy: -37.207
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -335.004783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.004783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.004783 (E_RNA)
where:
Base-Base interactions energy: -156.963
where: short stacking energy: -97.482
Base-Backbone interact. energy: 2.506
local terms energy: -180.547051
where:
bonds (distance) C4'-P energy: -47.126
bonds (distance) P-C4' energy: -61.790
flat angles C4'-P-C4' energy: -53.304
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -282.561533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.561533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.561533 (E_RNA)
where:
Base-Base interactions energy: -101.421
where: short stacking energy: -82.402
Base-Backbone interact. energy: -1.253
local terms energy: -179.887722
where:
bonds (distance) C4'-P energy: -53.933
bonds (distance) P-C4' energy: -55.921
flat angles C4'-P-C4' energy: -43.253
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: 1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -247.413066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.413066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.413066 (E_RNA)
where:
Base-Base interactions energy: -70.359
where: short stacking energy: -60.817
Base-Backbone interact. energy: 0.139
local terms energy: -177.192582
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -60.850
flat angles C4'-P-C4' energy: -36.768
flat angles P-C4'-P energy: -35.667
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: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -767.602362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.602362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.602362 (E_RNA)
where:
Base-Base interactions energy: -464.206
where: short stacking energy: -209.491
Base-Backbone interact. energy: -5.768
local terms energy: -297.628496
where:
bonds (distance) C4'-P energy: -68.844
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -64.199
flat angles P-C4'-P energy: -42.396
tors. eta vs tors. theta energy: -50.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -751.513068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.513068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.513068 (E_RNA)
where:
Base-Base interactions energy: -461.786
where: short stacking energy: -211.464
Base-Backbone interact. energy: -0.048
local terms energy: -289.678696
where:
bonds (distance) C4'-P energy: -69.423
bonds (distance) P-C4' energy: -72.154
flat angles C4'-P-C4' energy: -55.879
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -48.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -653.077089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.077089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.077089 (E_RNA)
where:
Base-Base interactions energy: -338.249
where: short stacking energy: -203.065
Base-Backbone interact. energy: -1.079
local terms energy: -313.749203
where:
bonds (distance) C4'-P energy: -68.973
bonds (distance) P-C4' energy: -72.729
flat angles C4'-P-C4' energy: -72.942
flat angles P-C4'-P energy: -48.479
tors. eta vs tors. theta energy: -50.627
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: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -577.362482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.362482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.362482 (E_RNA)
where:
Base-Base interactions energy: -312.428
where: short stacking energy: -188.914
Base-Backbone interact. energy: -0.900
local terms energy: -264.034408
where:
bonds (distance) C4'-P energy: -53.848
bonds (distance) P-C4' energy: -62.898
flat angles C4'-P-C4' energy: -64.693
flat angles P-C4'-P energy: -47.579
tors. eta vs tors. theta energy: -35.016
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: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -443.285689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.285689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.285689 (E_RNA)
where:
Base-Base interactions energy: -209.707
where: short stacking energy: -118.629
Base-Backbone interact. energy: -0.285
local terms energy: -233.293545
where:
bonds (distance) C4'-P energy: -62.444
bonds (distance) P-C4' energy: -71.678
flat angles C4'-P-C4' energy: -47.858
flat angles P-C4'-P energy: -36.826
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -395.250685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.250685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.250685 (E_RNA)
where:
Base-Base interactions energy: -162.944
where: short stacking energy: -105.723
Base-Backbone interact. energy: -0.973
local terms energy: -231.334091
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -61.315
flat angles C4'-P-C4' energy: -67.304
flat angles P-C4'-P energy: -36.465
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -356.449410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.449410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.449410 (E_RNA)
where:
Base-Base interactions energy: -154.664
where: short stacking energy: -92.545
Base-Backbone interact. energy: -0.115
local terms energy: -201.670287
where:
bonds (distance) C4'-P energy: -50.123
bonds (distance) P-C4' energy: -57.350
flat angles C4'-P-C4' energy: -56.096
flat angles P-C4'-P energy: -39.193
tors. eta vs tors. theta energy: 1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -296.361161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.361161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.361161 (E_RNA)
where:
Base-Base interactions energy: -109.737
where: short stacking energy: -89.330
Base-Backbone interact. energy: -0.577
local terms energy: -186.046693
where:
bonds (distance) C4'-P energy: -53.914
bonds (distance) P-C4' energy: -57.344
flat angles C4'-P-C4' energy: -54.526
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: 10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -274.441173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.441173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.441173 (E_RNA)
where:
Base-Base interactions energy: -85.885
where: short stacking energy: -63.526
Base-Backbone interact. energy: 0.178
local terms energy: -188.733985
where:
bonds (distance) C4'-P energy: -62.717
bonds (distance) P-C4' energy: -59.584
flat angles C4'-P-C4' energy: -53.843
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: 5.338
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: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -246.277472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.277472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.277472 (E_RNA)
where:
Base-Base interactions energy: -73.768
where: short stacking energy: -58.387
Base-Backbone interact. energy: 1.442
local terms energy: -173.951452
where:
bonds (distance) C4'-P energy: -52.416
bonds (distance) P-C4' energy: -62.071
flat angles C4'-P-C4' energy: -55.447
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: 30.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -800.624905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.624905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.624905 (E_RNA)
where:
Base-Base interactions energy: -488.943
where: short stacking energy: -206.495
Base-Backbone interact. energy: -0.292
local terms energy: -311.390386
where:
bonds (distance) C4'-P energy: -72.161
bonds (distance) P-C4' energy: -73.156
flat angles C4'-P-C4' energy: -69.006
flat angles P-C4'-P energy: -47.469
tors. eta vs tors. theta energy: -49.598
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: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -730.958913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.958913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.958913 (E_RNA)
where:
Base-Base interactions energy: -439.669
where: short stacking energy: -216.416
Base-Backbone interact. energy: -0.214
local terms energy: -291.076118
where:
bonds (distance) C4'-P energy: -60.408
bonds (distance) P-C4' energy: -59.007
flat angles C4'-P-C4' energy: -74.164
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -58.961
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: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -634.397152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.397152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.397152 (E_RNA)
where:
Base-Base interactions energy: -347.946
where: short stacking energy: -182.555
Base-Backbone interact. energy: -1.965
local terms energy: -284.486111
where:
bonds (distance) C4'-P energy: -69.502
bonds (distance) P-C4' energy: -63.172
flat angles C4'-P-C4' energy: -64.353
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -48.727
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: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -630.240186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.240186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.240186 (E_RNA)
where:
Base-Base interactions energy: -351.922
where: short stacking energy: -176.807
Base-Backbone interact. energy: -1.640
local terms energy: -276.678326
where:
bonds (distance) C4'-P energy: -67.903
bonds (distance) P-C4' energy: -62.996
flat angles C4'-P-C4' energy: -58.356
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -47.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -465.005093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.005093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.005093 (E_RNA)
where:
Base-Base interactions energy: -246.911
where: short stacking energy: -133.707
Base-Backbone interact. energy: -0.069
local terms energy: -218.025410
where:
bonds (distance) C4'-P energy: -60.941
bonds (distance) P-C4' energy: -57.909
flat angles C4'-P-C4' energy: -61.874
flat angles P-C4'-P energy: -25.439
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -436.175584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.175584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.175584 (E_RNA)
where:
Base-Base interactions energy: -204.805
where: short stacking energy: -127.609
Base-Backbone interact. energy: -1.107
local terms energy: -230.262829
where:
bonds (distance) C4'-P energy: -55.946
bonds (distance) P-C4' energy: -54.504
flat angles C4'-P-C4' energy: -54.491
flat angles P-C4'-P energy: -35.580
tors. eta vs tors. theta energy: -29.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -345.326481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.326481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.326481 (E_RNA)
where:
Base-Base interactions energy: -117.687
where: short stacking energy: -93.105
Base-Backbone interact. energy: 0.110
local terms energy: -227.750128
where:
bonds (distance) C4'-P energy: -66.196
bonds (distance) P-C4' energy: -60.740
flat angles C4'-P-C4' energy: -58.289
flat angles P-C4'-P energy: -42.468
tors. eta vs tors. theta energy: -0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -327.586374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.586374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.586374 (E_RNA)
where:
Base-Base interactions energy: -121.777
where: short stacking energy: -74.454
Base-Backbone interact. energy: -1.658
local terms energy: -204.150692
where:
bonds (distance) C4'-P energy: -49.471
bonds (distance) P-C4' energy: -67.321
flat angles C4'-P-C4' energy: -51.312
flat angles P-C4'-P energy: -34.301
tors. eta vs tors. theta energy: -1.746
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: 16
Temperature: 1.300000
Total energy: -282.956918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.956918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.956918 (E_RNA)
where:
Base-Base interactions energy: -83.661
where: short stacking energy: -64.431
Base-Backbone interact. energy: -2.229
local terms energy: -197.066993
where:
bonds (distance) C4'-P energy: -60.111
bonds (distance) P-C4' energy: -55.664
flat angles C4'-P-C4' energy: -62.092
flat angles P-C4'-P energy: -22.365
tors. eta vs tors. theta energy: 3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -268.069323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.069323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.069323 (E_RNA)
where:
Base-Base interactions energy: -68.056
where: short stacking energy: -52.344
Base-Backbone interact. energy: -1.826
local terms energy: -198.187252
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -72.739
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -31.996
tors. eta vs tors. theta energy: 12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -837.890814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.890814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.890814 (E_RNA)
where:
Base-Base interactions energy: -537.330
where: short stacking energy: -238.279
Base-Backbone interact. energy: -1.421
local terms energy: -299.140154
where:
bonds (distance) C4'-P energy: -64.851
bonds (distance) P-C4' energy: -64.543
flat angles C4'-P-C4' energy: -63.407
flat angles P-C4'-P energy: -43.396
tors. eta vs tors. theta energy: -62.944
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -769.834035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.834035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.834035 (E_RNA)
where:
Base-Base interactions energy: -469.623
where: short stacking energy: -247.207
Base-Backbone interact. energy: -0.834
local terms energy: -299.377254
where:
bonds (distance) C4'-P energy: -61.174
bonds (distance) P-C4' energy: -74.481
flat angles C4'-P-C4' energy: -67.611
flat angles P-C4'-P energy: -40.761
tors. eta vs tors. theta energy: -55.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -659.419962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.419962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.419962 (E_RNA)
where:
Base-Base interactions energy: -382.394
where: short stacking energy: -212.374
Base-Backbone interact. energy: 1.840
local terms energy: -278.866333
where:
bonds (distance) C4'-P energy: -60.388
bonds (distance) P-C4' energy: -51.014
flat angles C4'-P-C4' energy: -73.040
flat angles P-C4'-P energy: -43.735
tors. eta vs tors. theta energy: -50.688
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: 17
Temperature: 1.050000
Total energy: -640.392856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.392856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.392856 (E_RNA)
where:
Base-Base interactions energy: -363.682
where: short stacking energy: -185.026
Base-Backbone interact. energy: -2.508
local terms energy: -274.202185
where:
bonds (distance) C4'-P energy: -67.743
bonds (distance) P-C4' energy: -56.919
flat angles C4'-P-C4' energy: -64.870
flat angles P-C4'-P energy: -45.583
tors. eta vs tors. theta energy: -39.087
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: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -459.163235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.163235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.163235 (E_RNA)
where:
Base-Base interactions energy: -215.001
where: short stacking energy: -133.849
Base-Backbone interact. energy: 3.338
local terms energy: -247.500294
where:
bonds (distance) C4'-P energy: -66.110
bonds (distance) P-C4' energy: -68.196
flat angles C4'-P-C4' energy: -54.686
flat angles P-C4'-P energy: -46.616
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -382.894587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.894587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.894587 (E_RNA)
where:
Base-Base interactions energy: -153.534
where: short stacking energy: -108.585
Base-Backbone interact. energy: -1.091
local terms energy: -228.269766
where:
bonds (distance) C4'-P energy: -56.208
bonds (distance) P-C4' energy: -70.083
flat angles C4'-P-C4' energy: -52.424
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -427.586807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.586807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.586807 (E_RNA)
where:
Base-Base interactions energy: -204.463
where: short stacking energy: -145.717
Base-Backbone interact. energy: -0.778
local terms energy: -222.346421
where:
bonds (distance) C4'-P energy: -55.420
bonds (distance) P-C4' energy: -52.232
flat angles C4'-P-C4' energy: -52.431
flat angles P-C4'-P energy: -34.953
tors. eta vs tors. theta energy: -27.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -306.665740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.665740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.665740 (E_RNA)
where:
Base-Base interactions energy: -104.376
where: short stacking energy: -71.656
Base-Backbone interact. energy: -0.824
local terms energy: -201.802562
where:
bonds (distance) C4'-P energy: -62.368
bonds (distance) P-C4' energy: -52.099
flat angles C4'-P-C4' energy: -54.813
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.336 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -272.083592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.083592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.083592 (E_RNA)
where:
Base-Base interactions energy: -96.926
where: short stacking energy: -75.358
Base-Backbone interact. energy: -1.606
local terms energy: -173.551681
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -63.888
flat angles C4'-P-C4' energy: -51.158
flat angles P-C4'-P energy: -28.743
tors. eta vs tors. theta energy: 13.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -258.500457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.500457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.500457 (E_RNA)
where:
Base-Base interactions energy: -70.939
where: short stacking energy: -50.427
Base-Backbone interact. energy: -1.116
local terms energy: -186.445439
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -63.877
flat angles C4'-P-C4' energy: -48.541
flat angles P-C4'-P energy: -28.893
tors. eta vs tors. theta energy: 6.546
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: 18
Temperature: 0.900000
Total energy: -841.618822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.618822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.618822 (E_RNA)
where:
Base-Base interactions energy: -527.153
where: short stacking energy: -209.184
Base-Backbone interact. energy: -2.550
local terms energy: -311.915978
where:
bonds (distance) C4'-P energy: -65.000
bonds (distance) P-C4' energy: -69.691
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -43.202
tors. eta vs tors. theta energy: -62.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -753.001188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.001188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.001188 (E_RNA)
where:
Base-Base interactions energy: -434.427
where: short stacking energy: -226.273
Base-Backbone interact. energy: -2.029
local terms energy: -316.544592
where:
bonds (distance) C4'-P energy: -62.307
bonds (distance) P-C4' energy: -65.808
flat angles C4'-P-C4' energy: -71.852
flat angles P-C4'-P energy: -49.106
tors. eta vs tors. theta energy: -67.472
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: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -678.043708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.043708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.043708 (E_RNA)
where:
Base-Base interactions energy: -377.286
where: short stacking energy: -212.399
Base-Backbone interact. energy: -0.599
local terms energy: -300.157881
where:
bonds (distance) C4'-P energy: -70.912
bonds (distance) P-C4' energy: -59.774
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -46.419
tors. eta vs tors. theta energy: -57.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -691.924764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.924764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.924764 (E_RNA)
where:
Base-Base interactions energy: -419.289
where: short stacking energy: -181.916
Base-Backbone interact. energy: -1.577
local terms energy: -271.057915
where:
bonds (distance) C4'-P energy: -56.817
bonds (distance) P-C4' energy: -60.920
flat angles C4'-P-C4' energy: -65.582
flat angles P-C4'-P energy: -37.147
tors. eta vs tors. theta energy: -50.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -449.853901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.853901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.853901 (E_RNA)
where:
Base-Base interactions energy: -196.319
where: short stacking energy: -119.187
Base-Backbone interact. energy: 0.530
local terms energy: -254.064517
where:
bonds (distance) C4'-P energy: -64.531
bonds (distance) P-C4' energy: -59.445
flat angles C4'-P-C4' energy: -62.261
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: -26.664
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: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -362.168672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.168672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.168672 (E_RNA)
where:
Base-Base interactions energy: -119.718
where: short stacking energy: -104.396
Base-Backbone interact. energy: -0.154
local terms energy: -242.296480
where:
bonds (distance) C4'-P energy: -66.078
bonds (distance) P-C4' energy: -70.239
flat angles C4'-P-C4' energy: -50.890
flat angles P-C4'-P energy: -38.001
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -383.985020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.985020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.985020 (E_RNA)
where:
Base-Base interactions energy: -187.699
where: short stacking energy: -111.325
Base-Backbone interact. energy: 0.100
local terms energy: -196.386138
where:
bonds (distance) C4'-P energy: -55.121
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -52.527
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -301.327917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.327917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.327917 (E_RNA)
where:
Base-Base interactions energy: -92.836
where: short stacking energy: -78.434
Base-Backbone interact. energy: 3.010
local terms energy: -211.502009
where:
bonds (distance) C4'-P energy: -56.091
bonds (distance) P-C4' energy: -70.996
flat angles C4'-P-C4' energy: -48.140
flat angles P-C4'-P energy: -41.443
tors. eta vs tors. theta energy: 5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -269.653209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.653209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.653209 (E_RNA)
where:
Base-Base interactions energy: -99.646
where: short stacking energy: -68.061
Base-Backbone interact. energy: 2.887
local terms energy: -172.894773
where:
bonds (distance) C4'-P energy: -50.847
bonds (distance) P-C4' energy: -49.357
flat angles C4'-P-C4' energy: -53.044
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: 7.235
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: 18
Temperature: 1.350000
Total energy: -256.330657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.330657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.330657 (E_RNA)
where:
Base-Base interactions energy: -73.525
where: short stacking energy: -61.085
Base-Backbone interact. energy: 0.195
local terms energy: -183.000983
where:
bonds (distance) C4'-P energy: -66.119
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -50.198
flat angles P-C4'-P energy: -25.600
tors. eta vs tors. theta energy: 14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -884.942035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.942035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.942035 (E_RNA)
where:
Base-Base interactions energy: -575.499
where: short stacking energy: -255.488
Base-Backbone interact. energy: -3.411
local terms energy: -306.031972
where:
bonds (distance) C4'-P energy: -60.895
bonds (distance) P-C4' energy: -65.951
flat angles C4'-P-C4' energy: -72.895
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: -71.006
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: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -746.884986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.884986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.884986 (E_RNA)
where:
Base-Base interactions energy: -454.477
where: short stacking energy: -213.441
Base-Backbone interact. energy: 0.316
local terms energy: -292.724432
where:
bonds (distance) C4'-P energy: -65.277
bonds (distance) P-C4' energy: -72.039
flat angles C4'-P-C4' energy: -64.851
flat angles P-C4'-P energy: -35.691
tors. eta vs tors. theta energy: -54.866
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: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -652.126517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.126517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.126517 (E_RNA)
where:
Base-Base interactions energy: -358.175
where: short stacking energy: -190.637
Base-Backbone interact. energy: -0.013
local terms energy: -293.938687
where:
bonds (distance) C4'-P energy: -63.079
bonds (distance) P-C4' energy: -71.842
flat angles C4'-P-C4' energy: -60.106
flat angles P-C4'-P energy: -47.422
tors. eta vs tors. theta energy: -51.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -691.259732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.259732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.259732 (E_RNA)
where:
Base-Base interactions energy: -428.529
where: short stacking energy: -216.395
Base-Backbone interact. energy: -1.569
local terms energy: -261.161755
where:
bonds (distance) C4'-P energy: -49.409
bonds (distance) P-C4' energy: -52.801
flat angles C4'-P-C4' energy: -61.003
flat angles P-C4'-P energy: -41.757
tors. eta vs tors. theta energy: -56.191
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: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -497.750003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.750003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.750003 (E_RNA)
where:
Base-Base interactions energy: -256.597
where: short stacking energy: -132.419
Base-Backbone interact. energy: 2.265
local terms energy: -243.418422
where:
bonds (distance) C4'-P energy: -61.237
bonds (distance) P-C4' energy: -57.907
flat angles C4'-P-C4' energy: -71.604
flat angles P-C4'-P energy: -34.419
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -428.595882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.595882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.595882 (E_RNA)
where:
Base-Base interactions energy: -216.890
where: short stacking energy: -119.145
Base-Backbone interact. energy: 3.186
local terms energy: -214.891807
where:
bonds (distance) C4'-P energy: -56.357
bonds (distance) P-C4' energy: -56.347
flat angles C4'-P-C4' energy: -60.181
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -9.121
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: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -347.048491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.048491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.048491 (E_RNA)
where:
Base-Base interactions energy: -123.948
where: short stacking energy: -92.547
Base-Backbone interact. energy: -0.386
local terms energy: -222.714415
where:
bonds (distance) C4'-P energy: -63.677
bonds (distance) P-C4' energy: -60.256
flat angles C4'-P-C4' energy: -56.646
flat angles P-C4'-P energy: -28.635
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -296.227702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.227702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.227702 (E_RNA)
where:
Base-Base interactions energy: -102.498
where: short stacking energy: -67.268
Base-Backbone interact. energy: 0.164
local terms energy: -193.893938
where:
bonds (distance) C4'-P energy: -59.190
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -54.181
flat angles P-C4'-P energy: -34.202
tors. eta vs tors. theta energy: 12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -271.827331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.827331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.827331 (E_RNA)
where:
Base-Base interactions energy: -96.945
where: short stacking energy: -77.702
Base-Backbone interact. energy: 1.406
local terms energy: -176.288548
where:
bonds (distance) C4'-P energy: -55.394
bonds (distance) P-C4' energy: -63.563
flat angles C4'-P-C4' energy: -43.511
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: 9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -259.691366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.691366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.691366 (E_RNA)
where:
Base-Base interactions energy: -74.188
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.931
local terms energy: -184.572741
where:
bonds (distance) C4'-P energy: -61.060
bonds (distance) P-C4' energy: -60.656
flat angles C4'-P-C4' energy: -51.401
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: 7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -892.664069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.664069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.664069 (E_RNA)
where:
Base-Base interactions energy: -580.934
where: short stacking energy: -248.755
Base-Backbone interact. energy: -1.307
local terms energy: -310.423704
where:
bonds (distance) C4'-P energy: -63.531
bonds (distance) P-C4' energy: -73.653
flat angles C4'-P-C4' energy: -59.623
flat angles P-C4'-P energy: -37.727
tors. eta vs tors. theta energy: -75.890
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: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -754.704959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.704959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.704959 (E_RNA)
where:
Base-Base interactions energy: -436.601
where: short stacking energy: -245.618
Base-Backbone interact. energy: -1.251
local terms energy: -316.853019
where:
bonds (distance) C4'-P energy: -64.271
bonds (distance) P-C4' energy: -65.296
flat angles C4'-P-C4' energy: -71.556
flat angles P-C4'-P energy: -45.291
tors. eta vs tors. theta energy: -70.439
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: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -742.792784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.792784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.792784 (E_RNA)
where:
Base-Base interactions energy: -444.647
where: short stacking energy: -220.419
Base-Backbone interact. energy: -1.924
local terms energy: -296.221535
where:
bonds (distance) C4'-P energy: -56.143
bonds (distance) P-C4' energy: -59.816
flat angles C4'-P-C4' energy: -63.774
flat angles P-C4'-P energy: -49.155
tors. eta vs tors. theta energy: -67.333
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: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -598.250403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.250403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.250403 (E_RNA)
where:
Base-Base interactions energy: -336.013
where: short stacking energy: -181.736
Base-Backbone interact. energy: 2.315
local terms energy: -264.551676
where:
bonds (distance) C4'-P energy: -52.522
bonds (distance) P-C4' energy: -61.288
flat angles C4'-P-C4' energy: -61.570
flat angles P-C4'-P energy: -45.871
tors. eta vs tors. theta energy: -43.301
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: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -478.891757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.891757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.891757 (E_RNA)
where:
Base-Base interactions energy: -240.233
where: short stacking energy: -147.887
Base-Backbone interact. energy: -1.684
local terms energy: -238.112521
where:
bonds (distance) C4'-P energy: -53.931
bonds (distance) P-C4' energy: -68.677
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -34.526
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.138 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -429.781680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.781680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.781680 (E_RNA)
where:
Base-Base interactions energy: -192.049
where: short stacking energy: -121.170
Base-Backbone interact. energy: 0.525
local terms energy: -238.257418
where:
bonds (distance) C4'-P energy: -66.243
bonds (distance) P-C4' energy: -62.487
flat angles C4'-P-C4' energy: -65.153
flat angles P-C4'-P energy: -33.093
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -329.480731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.480731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.480731 (E_RNA)
where:
Base-Base interactions energy: -122.747
where: short stacking energy: -80.185
Base-Backbone interact. energy: 1.379
local terms energy: -208.485568
where:
bonds (distance) C4'-P energy: -50.904
bonds (distance) P-C4' energy: -62.662
flat angles C4'-P-C4' energy: -51.314
flat angles P-C4'-P energy: -39.961
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.373 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -313.982906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.982906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.982906 (E_RNA)
where:
Base-Base interactions energy: -119.358
where: short stacking energy: -81.910
Base-Backbone interact. energy: -2.496
local terms energy: -192.129032
where:
bonds (distance) C4'-P energy: -58.667
bonds (distance) P-C4' energy: -53.562
flat angles C4'-P-C4' energy: -50.262
flat angles P-C4'-P energy: -33.400
tors. eta vs tors. theta energy: 3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -291.135641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.135641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.135641 (E_RNA)
where:
Base-Base interactions energy: -111.236
where: short stacking energy: -68.759
Base-Backbone interact. energy: 0.862
local terms energy: -180.761163
where:
bonds (distance) C4'-P energy: -56.957
bonds (distance) P-C4' energy: -66.871
flat angles C4'-P-C4' energy: -44.499
flat angles P-C4'-P energy: -26.299
tors. eta vs tors. theta energy: 13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -246.249885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.249885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.249885 (E_RNA)
where:
Base-Base interactions energy: -74.480
where: short stacking energy: -62.170
Base-Backbone interact. energy: 0.565
local terms energy: -172.334888
where:
bonds (distance) C4'-P energy: -37.394
bonds (distance) P-C4' energy: -64.008
flat angles C4'-P-C4' energy: -55.566
flat angles P-C4'-P energy: -26.324
tors. eta vs tors. theta energy: 10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -893.618378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.618378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.618378 (E_RNA)
where:
Base-Base interactions energy: -565.560
where: short stacking energy: -264.032
Base-Backbone interact. energy: 1.877
local terms energy: -329.935627
where:
bonds (distance) C4'-P energy: -66.154
bonds (distance) P-C4' energy: -74.440
flat angles C4'-P-C4' energy: -70.639
flat angles P-C4'-P energy: -49.392
tors. eta vs tors. theta energy: -69.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -802.031674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.031674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.031674 (E_RNA)
where:
Base-Base interactions energy: -485.195
where: short stacking energy: -262.986
Base-Backbone interact. energy: -1.079
local terms energy: -315.756934
where:
bonds (distance) C4'-P energy: -73.955
bonds (distance) P-C4' energy: -57.286
flat angles C4'-P-C4' energy: -68.088
flat angles P-C4'-P energy: -45.390
tors. eta vs tors. theta energy: -71.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -751.518600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.518600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.518600 (E_RNA)
where:
Base-Base interactions energy: -440.871
where: short stacking energy: -205.694
Base-Backbone interact. energy: -1.894
local terms energy: -308.753304
where:
bonds (distance) C4'-P energy: -70.267
bonds (distance) P-C4' energy: -65.136
flat angles C4'-P-C4' energy: -61.101
flat angles P-C4'-P energy: -49.557
tors. eta vs tors. theta energy: -62.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -580.154456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.154456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.154456 (E_RNA)
where:
Base-Base interactions energy: -305.735
where: short stacking energy: -200.742
Base-Backbone interact. energy: -0.106
local terms energy: -274.314025
where:
bonds (distance) C4'-P energy: -53.737
bonds (distance) P-C4' energy: -60.780
flat angles C4'-P-C4' energy: -61.929
flat angles P-C4'-P energy: -45.396
tors. eta vs tors. theta energy: -52.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -579.663549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.663549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.663549 (E_RNA)
where:
Base-Base interactions energy: -305.332
where: short stacking energy: -155.933
Base-Backbone interact. energy: 0.228
local terms energy: -274.559428
where:
bonds (distance) C4'-P energy: -62.984
bonds (distance) P-C4' energy: -65.419
flat angles C4'-P-C4' energy: -66.501
flat angles P-C4'-P energy: -46.521
tors. eta vs tors. theta energy: -33.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -446.456247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.456247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.456247 (E_RNA)
where:
Base-Base interactions energy: -223.538
where: short stacking energy: -108.043
Base-Backbone interact. energy: 3.307
local terms energy: -226.225612
where:
bonds (distance) C4'-P energy: -63.776
bonds (distance) P-C4' energy: -58.768
flat angles C4'-P-C4' energy: -56.862
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -314.565198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.565198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.565198 (E_RNA)
where:
Base-Base interactions energy: -110.163
where: short stacking energy: -84.152
Base-Backbone interact. energy: -0.861
local terms energy: -203.541203
where:
bonds (distance) C4'-P energy: -71.249
bonds (distance) P-C4' energy: -50.615
flat angles C4'-P-C4' energy: -58.492
flat angles P-C4'-P energy: -22.114
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: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -310.539875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.539875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.539875 (E_RNA)
where:
Base-Base interactions energy: -109.752
where: short stacking energy: -81.755
Base-Backbone interact. energy: -1.842
local terms energy: -198.946265
where:
bonds (distance) C4'-P energy: -54.875
bonds (distance) P-C4' energy: -57.060
flat angles C4'-P-C4' energy: -61.587
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: 5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -271.711681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.711681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.711681 (E_RNA)
where:
Base-Base interactions energy: -86.725
where: short stacking energy: -64.151
Base-Backbone interact. energy: -0.446
local terms energy: -184.540451
where:
bonds (distance) C4'-P energy: -42.181
bonds (distance) P-C4' energy: -68.008
flat angles C4'-P-C4' energy: -57.142
flat angles P-C4'-P energy: -31.507
tors. eta vs tors. theta energy: 14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -275.392740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.392740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.392740 (E_RNA)
where:
Base-Base interactions energy: -89.854
where: short stacking energy: -67.616
Base-Backbone interact. energy: -0.586
local terms energy: -184.952728
where:
bonds (distance) C4'-P energy: -47.295
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -51.531
flat angles P-C4'-P energy: -32.570
tors. eta vs tors. theta energy: 11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -899.579503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.579503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.579503 (E_RNA)
where:
Base-Base interactions energy: -576.020
where: short stacking energy: -227.272
Base-Backbone interact. energy: 0.895
local terms energy: -324.454353
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -77.823
flat angles C4'-P-C4' energy: -67.666
flat angles P-C4'-P energy: -40.865
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: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -825.036726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.036726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.036726 (E_RNA)
where:
Base-Base interactions energy: -492.408
where: short stacking energy: -242.352
Base-Backbone interact. energy: -1.058
local terms energy: -331.570696
where:
bonds (distance) C4'-P energy: -69.941
bonds (distance) P-C4' energy: -76.385
flat angles C4'-P-C4' energy: -70.309
flat angles P-C4'-P energy: -47.768
tors. eta vs tors. theta energy: -67.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -740.596839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.596839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.596839 (E_RNA)
where:
Base-Base interactions energy: -434.367
where: short stacking energy: -223.108
Base-Backbone interact. energy: -3.436
local terms energy: -302.794463
where:
bonds (distance) C4'-P energy: -62.734
bonds (distance) P-C4' energy: -64.804
flat angles C4'-P-C4' energy: -69.494
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -65.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -568.955391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.955391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.955391 (E_RNA)
where:
Base-Base interactions energy: -316.584
where: short stacking energy: -153.020
Base-Backbone interact. energy: -0.635
local terms energy: -251.736618
where:
bonds (distance) C4'-P energy: -55.220
bonds (distance) P-C4' energy: -69.691
flat angles C4'-P-C4' energy: -54.106
flat angles P-C4'-P energy: -39.364
tors. eta vs tors. theta energy: -33.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -591.548625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.548625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.548625 (E_RNA)
where:
Base-Base interactions energy: -327.123
where: short stacking energy: -144.531
Base-Backbone interact. energy: -1.072
local terms energy: -263.353988
where:
bonds (distance) C4'-P energy: -56.189
bonds (distance) P-C4' energy: -75.402
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -32.843
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: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -468.397217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.397217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.397217 (E_RNA)
where:
Base-Base interactions energy: -257.729
where: short stacking energy: -132.483
Base-Backbone interact. energy: -1.603
local terms energy: -209.065768
where:
bonds (distance) C4'-P energy: -53.222
bonds (distance) P-C4' energy: -67.666
flat angles C4'-P-C4' energy: -53.031
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -322.412014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.412014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.412014 (E_RNA)
where:
Base-Base interactions energy: -103.386
where: short stacking energy: -77.688
Base-Backbone interact. energy: 0.532
local terms energy: -219.558429
where:
bonds (distance) C4'-P energy: -63.066
bonds (distance) P-C4' energy: -65.357
flat angles C4'-P-C4' energy: -51.434
flat angles P-C4'-P energy: -29.325
tors. eta vs tors. theta energy: -10.377
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: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -308.003132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.003132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.003132 (E_RNA)
where:
Base-Base interactions energy: -119.844
where: short stacking energy: -72.554
Base-Backbone interact. energy: 2.705
local terms energy: -190.863973
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -64.732
flat angles C4'-P-C4' energy: -47.133
flat angles P-C4'-P energy: -36.077
tors. eta vs tors. theta energy: 5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -287.179697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.179697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.179697 (E_RNA)
where:
Base-Base interactions energy: -121.248
where: short stacking energy: -92.802
Base-Backbone interact. energy: 1.151
local terms energy: -167.082702
where:
bonds (distance) C4'-P energy: -47.498
bonds (distance) P-C4' energy: -57.938
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -268.611876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.611876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.611876 (E_RNA)
where:
Base-Base interactions energy: -120.230
where: short stacking energy: -77.305
Base-Backbone interact. energy: 3.695
local terms energy: -152.076741
where:
bonds (distance) C4'-P energy: -49.197
bonds (distance) P-C4' energy: -60.249
flat angles C4'-P-C4' energy: -41.165
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: 12.246
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: 23
Temperature: 0.900000
Total energy: -894.832994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.832994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.832994 (E_RNA)
where:
Base-Base interactions energy: -574.676
where: short stacking energy: -228.855
Base-Backbone interact. energy: -1.424
local terms energy: -318.733437
where:
bonds (distance) C4'-P energy: -67.881
bonds (distance) P-C4' energy: -69.956
flat angles C4'-P-C4' energy: -66.947
flat angles P-C4'-P energy: -42.626
tors. eta vs tors. theta energy: -71.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -831.304224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.304224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.304224 (E_RNA)
where:
Base-Base interactions energy: -515.139
where: short stacking energy: -249.015
Base-Backbone interact. energy: -1.807
local terms energy: -314.358426
where:
bonds (distance) C4'-P energy: -59.862
bonds (distance) P-C4' energy: -68.231
flat angles C4'-P-C4' energy: -69.136
flat angles P-C4'-P energy: -46.907
tors. eta vs tors. theta energy: -70.222
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: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -805.634091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.634091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.634091 (E_RNA)
where:
Base-Base interactions energy: -512.055
where: short stacking energy: -236.950
Base-Backbone interact. energy: -0.349
local terms energy: -293.230034
where:
bonds (distance) C4'-P energy: -57.734
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -72.193
flat angles P-C4'-P energy: -46.509
tors. eta vs tors. theta energy: -63.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -670.712061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.712061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.712061 (E_RNA)
where:
Base-Base interactions energy: -375.742
where: short stacking energy: -188.623
Base-Backbone interact. energy: -0.914
local terms energy: -294.055459
where:
bonds (distance) C4'-P energy: -64.568
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -70.549
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -59.051
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: 23
Temperature: 1.100000
Total energy: -551.288430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.288430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.288430 (E_RNA)
where:
Base-Base interactions energy: -287.663
where: short stacking energy: -156.731
Base-Backbone interact. energy: 0.574
local terms energy: -264.199586
where:
bonds (distance) C4'-P energy: -64.615
bonds (distance) P-C4' energy: -65.714
flat angles C4'-P-C4' energy: -64.841
flat angles P-C4'-P energy: -40.485
tors. eta vs tors. theta energy: -28.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -462.479711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.479711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.479711 (E_RNA)
where:
Base-Base interactions energy: -230.312
where: short stacking energy: -128.369
Base-Backbone interact. energy: 2.643
local terms energy: -234.810705
where:
bonds (distance) C4'-P energy: -54.979
bonds (distance) P-C4' energy: -58.042
flat angles C4'-P-C4' energy: -65.481
flat angles P-C4'-P energy: -29.623
tors. eta vs tors. theta energy: -26.686
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: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -325.960493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.960493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.960493 (E_RNA)
where:
Base-Base interactions energy: -111.196
where: short stacking energy: -93.190
Base-Backbone interact. energy: -0.693
local terms energy: -214.071322
where:
bonds (distance) C4'-P energy: -53.251
bonds (distance) P-C4' energy: -74.812
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -34.762
tors. eta vs tors. theta energy: 0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -333.137815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.137815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.137815 (E_RNA)
where:
Base-Base interactions energy: -148.353
where: short stacking energy: -74.387
Base-Backbone interact. energy: -2.597
local terms energy: -182.187741
where:
bonds (distance) C4'-P energy: -46.188
bonds (distance) P-C4' energy: -54.642
flat angles C4'-P-C4' energy: -60.859
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: 12.664
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: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -264.110083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.110083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.110083 (E_RNA)
where:
Base-Base interactions energy: -95.998
where: short stacking energy: -73.247
Base-Backbone interact. energy: 0.216
local terms energy: -168.327882
where:
bonds (distance) C4'-P energy: -43.179
bonds (distance) P-C4' energy: -62.721
flat angles C4'-P-C4' energy: -44.773
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: 16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -243.523746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.523746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.523746 (E_RNA)
where:
Base-Base interactions energy: -63.020
where: short stacking energy: -39.975
Base-Backbone interact. energy: -2.219
local terms energy: -178.284493
where:
bonds (distance) C4'-P energy: -52.416
bonds (distance) P-C4' energy: -63.034
flat angles C4'-P-C4' energy: -45.135
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: 9.437
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: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -937.612415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.612415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.612415 (E_RNA)
where:
Base-Base interactions energy: -610.212
where: short stacking energy: -284.182
Base-Backbone interact. energy: -3.230
local terms energy: -324.170838
where:
bonds (distance) C4'-P energy: -62.621
bonds (distance) P-C4' energy: -68.557
flat angles C4'-P-C4' energy: -68.062
flat angles P-C4'-P energy: -46.331
tors. eta vs tors. theta energy: -78.600
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: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -804.611076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.611076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.611076 (E_RNA)
where:
Base-Base interactions energy: -488.651
where: short stacking energy: -257.754
Base-Backbone interact. energy: -1.336
local terms energy: -314.623749
where:
bonds (distance) C4'-P energy: -69.618
bonds (distance) P-C4' energy: -58.348
flat angles C4'-P-C4' energy: -68.956
flat angles P-C4'-P energy: -51.461
tors. eta vs tors. theta energy: -66.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -807.082679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.082679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.082679 (E_RNA)
where:
Base-Base interactions energy: -487.864
where: short stacking energy: -216.533
Base-Backbone interact. energy: 1.852
local terms energy: -321.070808
where:
bonds (distance) C4'-P energy: -75.635
bonds (distance) P-C4' energy: -66.359
flat angles C4'-P-C4' energy: -69.048
flat angles P-C4'-P energy: -47.178
tors. eta vs tors. theta energy: -62.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -717.464141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.464141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.464141 (E_RNA)
where:
Base-Base interactions energy: -443.389
where: short stacking energy: -217.385
Base-Backbone interact. energy: 0.190
local terms energy: -274.264753
where:
bonds (distance) C4'-P energy: -51.825
bonds (distance) P-C4' energy: -72.487
flat angles C4'-P-C4' energy: -64.232
flat angles P-C4'-P energy: -34.534
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: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -512.737078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.737078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.737078 (E_RNA)
where:
Base-Base interactions energy: -266.100
where: short stacking energy: -144.307
Base-Backbone interact. energy: 0.374
local terms energy: -247.011254
where:
bonds (distance) C4'-P energy: -58.911
bonds (distance) P-C4' energy: -59.862
flat angles C4'-P-C4' energy: -68.314
flat angles P-C4'-P energy: -47.513
tors. eta vs tors. theta energy: -12.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -428.561397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.561397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.561397 (E_RNA)
where:
Base-Base interactions energy: -183.604
where: short stacking energy: -108.666
Base-Backbone interact. energy: 1.725
local terms energy: -246.681958
where:
bonds (distance) C4'-P energy: -65.364
bonds (distance) P-C4' energy: -67.812
flat angles C4'-P-C4' energy: -63.169
flat angles P-C4'-P energy: -34.929
tors. eta vs tors. theta energy: -15.409
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: 24
Temperature: 1.200000
Total energy: -309.110185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.110185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.110185 (E_RNA)
where:
Base-Base interactions energy: -102.618
where: short stacking energy: -75.484
Base-Backbone interact. energy: -1.511
local terms energy: -204.981711
where:
bonds (distance) C4'-P energy: -49.711
bonds (distance) P-C4' energy: -73.050
flat angles C4'-P-C4' energy: -51.491
flat angles P-C4'-P energy: -28.145
tors. eta vs tors. theta energy: -2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -273.123880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.123880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.123880 (E_RNA)
where:
Base-Base interactions energy: -92.556
where: short stacking energy: -72.372
Base-Backbone interact. energy: -1.243
local terms energy: -179.325164
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -55.668
flat angles C4'-P-C4' energy: -56.836
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: 8.531
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: 24
Temperature: 1.300000
Total energy: -274.400095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.400095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.400095 (E_RNA)
where:
Base-Base interactions energy: -93.814
where: short stacking energy: -64.792
Base-Backbone interact. energy: -1.380
local terms energy: -179.205454
where:
bonds (distance) C4'-P energy: -64.898
bonds (distance) P-C4' energy: -59.277
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -25.317
tors. eta vs tors. theta energy: 7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -267.159165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.159165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.159165 (E_RNA)
where:
Base-Base interactions energy: -106.073
where: short stacking energy: -83.931
Base-Backbone interact. energy: -1.558
local terms energy: -159.527925
where:
bonds (distance) C4'-P energy: -51.376
bonds (distance) P-C4' energy: -55.927
flat angles C4'-P-C4' energy: -35.795
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: 6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -913.714440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.714440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.714440 (E_RNA)
where:
Base-Base interactions energy: -602.440
where: short stacking energy: -259.631
Base-Backbone interact. energy: -3.528
local terms energy: -307.746141
where:
bonds (distance) C4'-P energy: -60.770
bonds (distance) P-C4' energy: -69.263
flat angles C4'-P-C4' energy: -71.403
flat angles P-C4'-P energy: -32.652
tors. eta vs tors. theta energy: -73.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -811.790569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.790569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.790569 (E_RNA)
where:
Base-Base interactions energy: -506.320
where: short stacking energy: -233.090
Base-Backbone interact. energy: -1.646
local terms energy: -303.823921
where:
bonds (distance) C4'-P energy: -66.810
bonds (distance) P-C4' energy: -68.067
flat angles C4'-P-C4' energy: -65.434
flat angles P-C4'-P energy: -39.666
tors. eta vs tors. theta energy: -63.846
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: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -778.149900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.149900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.149900 (E_RNA)
where:
Base-Base interactions energy: -456.004
where: short stacking energy: -242.568
Base-Backbone interact. energy: -0.536
local terms energy: -321.609720
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -61.345
flat angles C4'-P-C4' energy: -71.554
flat angles P-C4'-P energy: -51.587
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: 4, replica: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -737.528328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.528328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.528328 (E_RNA)
where:
Base-Base interactions energy: -436.406
where: short stacking energy: -202.335
Base-Backbone interact. energy: -1.313
local terms energy: -299.808885
where:
bonds (distance) C4'-P energy: -66.096
bonds (distance) P-C4' energy: -74.355
flat angles C4'-P-C4' energy: -59.677
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -57.252
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: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -542.746132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.746132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.746132 (E_RNA)
where:
Base-Base interactions energy: -302.003
where: short stacking energy: -160.306
Base-Backbone interact. energy: -0.912
local terms energy: -239.830734
where:
bonds (distance) C4'-P energy: -61.759
bonds (distance) P-C4' energy: -59.824
flat angles C4'-P-C4' energy: -57.077
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -38.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -432.033312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.033312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.033312 (E_RNA)
where:
Base-Base interactions energy: -228.988
where: short stacking energy: -146.173
Base-Backbone interact. energy: -0.848
local terms energy: -202.197061
where:
bonds (distance) C4'-P energy: -58.059
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -32.988
tors. eta vs tors. theta energy: -12.897
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: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -342.565561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.565561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.565561 (E_RNA)
where:
Base-Base interactions energy: -141.441
where: short stacking energy: -88.831
Base-Backbone interact. energy: -2.656
local terms energy: -198.468359
where:
bonds (distance) C4'-P energy: -58.270
bonds (distance) P-C4' energy: -65.109
flat angles C4'-P-C4' energy: -45.962
flat angles P-C4'-P energy: -31.543
tors. eta vs tors. theta energy: 2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -338.419550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.419550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.419550 (E_RNA)
where:
Base-Base interactions energy: -122.558
where: short stacking energy: -87.067
Base-Backbone interact. energy: 0.200
local terms energy: -216.061644
where:
bonds (distance) C4'-P energy: -56.648
bonds (distance) P-C4' energy: -64.541
flat angles C4'-P-C4' energy: -49.424
flat angles P-C4'-P energy: -41.013
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -313.848751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.848751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.848751 (E_RNA)
where:
Base-Base interactions energy: -119.469
where: short stacking energy: -97.196
Base-Backbone interact. energy: -0.677
local terms energy: -193.702771
where:
bonds (distance) C4'-P energy: -46.733
bonds (distance) P-C4' energy: -57.919
flat angles C4'-P-C4' energy: -46.575
flat angles P-C4'-P energy: -39.320
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -295.097393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.097393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.097393 (E_RNA)
where:
Base-Base interactions energy: -131.673
where: short stacking energy: -78.477
Base-Backbone interact. energy: -0.335
local terms energy: -163.166147
where:
bonds (distance) C4'-P energy: -43.107
bonds (distance) P-C4' energy: -60.010
flat angles C4'-P-C4' energy: -45.897
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: 4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.077 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -920.080635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.080635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.080635 (E_RNA)
where:
Base-Base interactions energy: -614.296
where: short stacking energy: -251.900
Base-Backbone interact. energy: -0.875
local terms energy: -304.909608
where:
bonds (distance) C4'-P energy: -61.420
bonds (distance) P-C4' energy: -64.510
flat angles C4'-P-C4' energy: -68.315
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -72.709
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: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -836.105805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.105805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.105805 (E_RNA)
where:
Base-Base interactions energy: -508.809
where: short stacking energy: -254.771
Base-Backbone interact. energy: -0.503
local terms energy: -326.793910
where:
bonds (distance) C4'-P energy: -61.272
bonds (distance) P-C4' energy: -75.266
flat angles C4'-P-C4' energy: -70.342
flat angles P-C4'-P energy: -48.332
tors. eta vs tors. theta energy: -71.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -842.338253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.338253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.338253 (E_RNA)
where:
Base-Base interactions energy: -541.792
where: short stacking energy: -233.117
Base-Backbone interact. energy: -0.896
local terms energy: -299.650778
where:
bonds (distance) C4'-P energy: -60.104
bonds (distance) P-C4' energy: -66.184
flat angles C4'-P-C4' energy: -59.518
flat angles P-C4'-P energy: -47.443
tors. eta vs tors. theta energy: -66.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -731.003826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.003826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.003826 (E_RNA)
where:
Base-Base interactions energy: -448.202
where: short stacking energy: -216.329
Base-Backbone interact. energy: -0.568
local terms energy: -282.234614
where:
bonds (distance) C4'-P energy: -62.701
bonds (distance) P-C4' energy: -73.505
flat angles C4'-P-C4' energy: -67.496
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -44.342
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: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -485.206307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.206307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.206307 (E_RNA)
where:
Base-Base interactions energy: -247.546
where: short stacking energy: -135.845
Base-Backbone interact. energy: 5.864
local terms energy: -243.523844
where:
bonds (distance) C4'-P energy: -61.164
bonds (distance) P-C4' energy: -61.597
flat angles C4'-P-C4' energy: -47.662
flat angles P-C4'-P energy: -52.388
tors. eta vs tors. theta energy: -20.713
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: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -474.952340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.952340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.952340 (E_RNA)
where:
Base-Base interactions energy: -270.554
where: short stacking energy: -103.100
Base-Backbone interact. energy: 2.147
local terms energy: -206.545815
where:
bonds (distance) C4'-P energy: -47.405
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -44.825
flat angles P-C4'-P energy: -34.855
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -406.774653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.774653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.774653 (E_RNA)
where:
Base-Base interactions energy: -187.112
where: short stacking energy: -106.394
Base-Backbone interact. energy: 1.981
local terms energy: -221.643507
where:
bonds (distance) C4'-P energy: -56.630
bonds (distance) P-C4' energy: -57.942
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -46.664
tors. eta vs tors. theta energy: -3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -326.721477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.721477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.721477 (E_RNA)
where:
Base-Base interactions energy: -117.285
where: short stacking energy: -86.989
Base-Backbone interact. energy: -0.076
local terms energy: -209.360156
where:
bonds (distance) C4'-P energy: -61.447
bonds (distance) P-C4' energy: -59.560
flat angles C4'-P-C4' energy: -48.878
flat angles P-C4'-P energy: -43.060
tors. eta vs tors. theta energy: 3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -285.045847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.045847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.045847 (E_RNA)
where:
Base-Base interactions energy: -110.915
where: short stacking energy: -71.882
Base-Backbone interact. energy: -1.096
local terms energy: -173.333502
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -63.094
flat angles C4'-P-C4' energy: -40.736
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: 11.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.299 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -261.941729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.941729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.941729 (E_RNA)
where:
Base-Base interactions energy: -75.158
where: short stacking energy: -59.366
Base-Backbone interact. energy: 3.702
local terms energy: -190.485565
where:
bonds (distance) C4'-P energy: -53.346
bonds (distance) P-C4' energy: -62.395
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: 8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -934.268221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.268221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.268221 (E_RNA)
where:
Base-Base interactions energy: -614.521
where: short stacking energy: -250.072
Base-Backbone interact. energy: -2.298
local terms energy: -317.449390
where:
bonds (distance) C4'-P energy: -64.012
bonds (distance) P-C4' energy: -73.478
flat angles C4'-P-C4' energy: -60.174
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: -72.050
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: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -894.681934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.681934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.681934 (E_RNA)
where:
Base-Base interactions energy: -584.165
where: short stacking energy: -245.509
Base-Backbone interact. energy: -1.509
local terms energy: -309.007865
where:
bonds (distance) C4'-P energy: -60.971
bonds (distance) P-C4' energy: -67.500
flat angles C4'-P-C4' energy: -67.450
flat angles P-C4'-P energy: -49.936
tors. eta vs tors. theta energy: -63.151
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: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -781.645534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.645534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.645534 (E_RNA)
where:
Base-Base interactions energy: -484.034
where: short stacking energy: -235.638
Base-Backbone interact. energy: 0.630
local terms energy: -298.241434
where:
bonds (distance) C4'-P energy: -57.701
bonds (distance) P-C4' energy: -55.515
flat angles C4'-P-C4' energy: -72.127
flat angles P-C4'-P energy: -45.784
tors. eta vs tors. theta energy: -67.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -734.160865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.160865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.160865 (E_RNA)
where:
Base-Base interactions energy: -455.900
where: short stacking energy: -205.130
Base-Backbone interact. energy: 0.004
local terms energy: -278.264275
where:
bonds (distance) C4'-P energy: -66.669
bonds (distance) P-C4' energy: -60.608
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -32.743
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: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -476.789129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.789129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.789129 (E_RNA)
where:
Base-Base interactions energy: -237.681
where: short stacking energy: -122.097
Base-Backbone interact. energy: -1.151
local terms energy: -237.957058
where:
bonds (distance) C4'-P energy: -58.500
bonds (distance) P-C4' energy: -64.287
flat angles C4'-P-C4' energy: -61.147
flat angles P-C4'-P energy: -40.147
tors. eta vs tors. theta energy: -13.875
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -380.408908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.408908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.408908 (E_RNA)
where:
Base-Base interactions energy: -158.418
where: short stacking energy: -112.475
Base-Backbone interact. energy: -0.841
local terms energy: -221.149778
where:
bonds (distance) C4'-P energy: -51.453
bonds (distance) P-C4' energy: -65.479
flat angles C4'-P-C4' energy: -62.030
flat angles P-C4'-P energy: -33.629
tors. eta vs tors. theta energy: -8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -452.487146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.487146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.487146 (E_RNA)
where:
Base-Base interactions energy: -205.498
where: short stacking energy: -111.928
Base-Backbone interact. energy: 1.470
local terms energy: -248.459659
where:
bonds (distance) C4'-P energy: -64.567
bonds (distance) P-C4' energy: -66.202
flat angles C4'-P-C4' energy: -53.015
flat angles P-C4'-P energy: -45.322
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -303.631131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.631131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.631131 (E_RNA)
where:
Base-Base interactions energy: -104.784
where: short stacking energy: -92.800
Base-Backbone interact. energy: 1.278
local terms energy: -200.124956
where:
bonds (distance) C4'-P energy: -60.051
bonds (distance) P-C4' energy: -52.317
flat angles C4'-P-C4' energy: -63.926
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: 7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -274.275771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.275771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.275771 (E_RNA)
where:
Base-Base interactions energy: -94.461
where: short stacking energy: -83.319
Base-Backbone interact. energy: -0.850
local terms energy: -178.964367
where:
bonds (distance) C4'-P energy: -41.389
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -46.360
flat angles P-C4'-P energy: -32.614
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -260.816626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.816626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.816626 (E_RNA)
where:
Base-Base interactions energy: -100.704
where: short stacking energy: -70.202
Base-Backbone interact. energy: 2.847
local terms energy: -162.959473
where:
bonds (distance) C4'-P energy: -47.472
bonds (distance) P-C4' energy: -54.730
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -33.687
tors. eta vs tors. theta energy: 7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -927.761677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.761677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.761677 (E_RNA)
where:
Base-Base interactions energy: -607.188
where: short stacking energy: -254.765
Base-Backbone interact. energy: -1.906
local terms energy: -318.667286
where:
bonds (distance) C4'-P energy: -63.693
bonds (distance) P-C4' energy: -65.204
flat angles C4'-P-C4' energy: -67.116
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -77.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -903.110556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.110556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.110556 (E_RNA)
where:
Base-Base interactions energy: -580.254
where: short stacking energy: -266.779
Base-Backbone interact. energy: -0.374
local terms energy: -322.482736
where:
bonds (distance) C4'-P energy: -72.874
bonds (distance) P-C4' energy: -74.112
flat angles C4'-P-C4' energy: -66.374
flat angles P-C4'-P energy: -31.798
tors. eta vs tors. theta energy: -77.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -757.107191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.107191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.107191 (E_RNA)
where:
Base-Base interactions energy: -451.228
where: short stacking energy: -247.610
Base-Backbone interact. energy: 0.282
local terms energy: -306.160915
where:
bonds (distance) C4'-P energy: -61.401
bonds (distance) P-C4' energy: -62.559
flat angles C4'-P-C4' energy: -66.716
flat angles P-C4'-P energy: -46.661
tors. eta vs tors. theta energy: -68.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -738.535361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.535361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.535361 (E_RNA)
where:
Base-Base interactions energy: -440.558
where: short stacking energy: -208.133
Base-Backbone interact. energy: -1.799
local terms energy: -296.178894
where:
bonds (distance) C4'-P energy: -61.405
bonds (distance) P-C4' energy: -69.929
flat angles C4'-P-C4' energy: -63.557
flat angles P-C4'-P energy: -40.490
tors. eta vs tors. theta energy: -60.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -507.121168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.121168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.121168 (E_RNA)
where:
Base-Base interactions energy: -271.697
where: short stacking energy: -148.486
Base-Backbone interact. energy: -0.358
local terms energy: -235.066208
where:
bonds (distance) C4'-P energy: -57.381
bonds (distance) P-C4' energy: -61.784
flat angles C4'-P-C4' energy: -51.760
flat angles P-C4'-P energy: -40.616
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -355.605245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.605245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.605245 (E_RNA)
where:
Base-Base interactions energy: -141.652
where: short stacking energy: -98.309
Base-Backbone interact. energy: -0.831
local terms energy: -213.121693
where:
bonds (distance) C4'-P energy: -65.299
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -57.265
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -420.595845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.595845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.595845 (E_RNA)
where:
Base-Base interactions energy: -191.114
where: short stacking energy: -103.787
Base-Backbone interact. energy: -0.974
local terms energy: -228.508112
where:
bonds (distance) C4'-P energy: -61.120
bonds (distance) P-C4' energy: -67.729
flat angles C4'-P-C4' energy: -51.289
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -18.824
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: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -318.557136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.557136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.557136 (E_RNA)
where:
Base-Base interactions energy: -132.422
where: short stacking energy: -80.659
Base-Backbone interact. energy: 0.824
local terms energy: -186.958496
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -73.616
flat angles C4'-P-C4' energy: -44.362
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: 1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -283.631087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.631087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.631087 (E_RNA)
where:
Base-Base interactions energy: -94.150
where: short stacking energy: -66.234
Base-Backbone interact. energy: 4.189
local terms energy: -193.670056
where:
bonds (distance) C4'-P energy: -63.728
bonds (distance) P-C4' energy: -59.777
flat angles C4'-P-C4' energy: -54.963
flat angles P-C4'-P energy: -32.657
tors. eta vs tors. theta energy: 17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -262.429292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.429292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.429292 (E_RNA)
where:
Base-Base interactions energy: -86.889
where: short stacking energy: -68.818
Base-Backbone interact. energy: 3.168
local terms energy: -178.708487
where:
bonds (distance) C4'-P energy: -51.436
bonds (distance) P-C4' energy: -57.064
flat angles C4'-P-C4' energy: -50.541
flat angles P-C4'-P energy: -31.100
tors. eta vs tors. theta energy: 11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -936.382745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.382745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.382745 (E_RNA)
where:
Base-Base interactions energy: -599.130
where: short stacking energy: -256.671
Base-Backbone interact. energy: -3.905
local terms energy: -333.348539
where:
bonds (distance) C4'-P energy: -68.390
bonds (distance) P-C4' energy: -71.272
flat angles C4'-P-C4' energy: -69.484
flat angles P-C4'-P energy: -45.960
tors. eta vs tors. theta energy: -78.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -911.296268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.296268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.296268 (E_RNA)
where:
Base-Base interactions energy: -585.320
where: short stacking energy: -260.702
Base-Backbone interact. energy: -0.211
local terms energy: -325.764643
where:
bonds (distance) C4'-P energy: -69.633
bonds (distance) P-C4' energy: -73.531
flat angles C4'-P-C4' energy: -60.149
flat angles P-C4'-P energy: -42.402
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: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -760.980827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.980827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.980827 (E_RNA)
where:
Base-Base interactions energy: -461.459
where: short stacking energy: -228.447
Base-Backbone interact. energy: -1.221
local terms energy: -298.301616
where:
bonds (distance) C4'-P energy: -59.610
bonds (distance) P-C4' energy: -66.191
flat angles C4'-P-C4' energy: -59.547
flat angles P-C4'-P energy: -52.754
tors. eta vs tors. theta energy: -60.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -739.849031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.849031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.849031 (E_RNA)
where:
Base-Base interactions energy: -462.709
where: short stacking energy: -212.104
Base-Backbone interact. energy: -1.433
local terms energy: -275.706781
where:
bonds (distance) C4'-P energy: -50.867
bonds (distance) P-C4' energy: -66.651
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: -55.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -471.643428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.643428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.643428 (E_RNA)
where:
Base-Base interactions energy: -271.036
where: short stacking energy: -135.434
Base-Backbone interact. energy: -3.830
local terms energy: -198.461561
where:
bonds (distance) C4'-P energy: -56.364
bonds (distance) P-C4' energy: -58.963
flat angles C4'-P-C4' energy: -48.113
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.683 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -472.568093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.568093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.568093 (E_RNA)
where:
Base-Base interactions energy: -238.143
where: short stacking energy: -149.121
Base-Backbone interact. energy: 1.167
local terms energy: -235.592359
where:
bonds (distance) C4'-P energy: -50.296
bonds (distance) P-C4' energy: -67.324
flat angles C4'-P-C4' energy: -58.780
flat angles P-C4'-P energy: -35.095
tors. eta vs tors. theta energy: -24.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -328.962151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.962151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.962151 (E_RNA)
where:
Base-Base interactions energy: -142.945
where: short stacking energy: -86.953
Base-Backbone interact. energy: 0.167
local terms energy: -186.183712
where:
bonds (distance) C4'-P energy: -47.544
bonds (distance) P-C4' energy: -56.934
flat angles C4'-P-C4' energy: -49.967
flat angles P-C4'-P energy: -34.182
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -317.833235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.833235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.833235 (E_RNA)
where:
Base-Base interactions energy: -124.835
where: short stacking energy: -93.564
Base-Backbone interact. energy: 4.430
local terms energy: -197.428093
where:
bonds (distance) C4'-P energy: -52.411
bonds (distance) P-C4' energy: -60.333
flat angles C4'-P-C4' energy: -47.346
flat angles P-C4'-P energy: -41.985
tors. eta vs tors. theta energy: 4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -296.101405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.101405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.101405 (E_RNA)
where:
Base-Base interactions energy: -110.528
where: short stacking energy: -70.889
Base-Backbone interact. energy: -2.423
local terms energy: -183.149834
where:
bonds (distance) C4'-P energy: -61.265
bonds (distance) P-C4' energy: -48.336
flat angles C4'-P-C4' energy: -47.689
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: 2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -264.271843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.271843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.271843 (E_RNA)
where:
Base-Base interactions energy: -100.615
where: short stacking energy: -77.860
Base-Backbone interact. energy: 2.617
local terms energy: -166.273923
where:
bonds (distance) C4'-P energy: -49.021
bonds (distance) P-C4' energy: -62.019
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: 17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -966.152379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.152379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.152379 (E_RNA)
where:
Base-Base interactions energy: -638.148
where: short stacking energy: -260.013
Base-Backbone interact. energy: -1.818
local terms energy: -326.186458
where:
bonds (distance) C4'-P energy: -73.032
bonds (distance) P-C4' energy: -70.244
flat angles C4'-P-C4' energy: -65.951
flat angles P-C4'-P energy: -39.905
tors. eta vs tors. theta energy: -77.054
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: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -910.575290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.575290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.575290 (E_RNA)
where:
Base-Base interactions energy: -580.903
where: short stacking energy: -253.034
Base-Backbone interact. energy: -0.054
local terms energy: -329.619003
where:
bonds (distance) C4'-P energy: -72.273
bonds (distance) P-C4' energy: -71.861
flat angles C4'-P-C4' energy: -64.465
flat angles P-C4'-P energy: -48.953
tors. eta vs tors. theta energy: -72.067
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: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -754.523017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.523017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.523017 (E_RNA)
where:
Base-Base interactions energy: -475.021
where: short stacking energy: -229.793
Base-Backbone interact. energy: -0.967
local terms energy: -278.534488
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -58.509
flat angles C4'-P-C4' energy: -62.757
flat angles P-C4'-P energy: -39.792
tors. eta vs tors. theta energy: -62.688
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: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -721.525409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.525409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.525409 (E_RNA)
where:
Base-Base interactions energy: -427.173
where: short stacking energy: -180.477
Base-Backbone interact. energy: -2.185
local terms energy: -292.167085
where:
bonds (distance) C4'-P energy: -69.379
bonds (distance) P-C4' energy: -59.467
flat angles C4'-P-C4' energy: -64.788
flat angles P-C4'-P energy: -43.984
tors. eta vs tors. theta energy: -54.549
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: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -494.900604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.900604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.900604 (E_RNA)
where:
Base-Base interactions energy: -255.307
where: short stacking energy: -128.271
Base-Backbone interact. energy: 3.079
local terms energy: -242.672694
where:
bonds (distance) C4'-P energy: -61.252
bonds (distance) P-C4' energy: -68.459
flat angles C4'-P-C4' energy: -60.507
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -451.751401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.751401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.751401 (E_RNA)
where:
Base-Base interactions energy: -215.464
where: short stacking energy: -130.393
Base-Backbone interact. energy: 4.695
local terms energy: -240.982426
where:
bonds (distance) C4'-P energy: -60.468
bonds (distance) P-C4' energy: -67.620
flat angles C4'-P-C4' energy: -52.780
flat angles P-C4'-P energy: -41.226
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -330.469833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.469833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.469833 (E_RNA)
where:
Base-Base interactions energy: -128.867
where: short stacking energy: -87.146
Base-Backbone interact. energy: -2.422
local terms energy: -199.180895
where:
bonds (distance) C4'-P energy: -43.492
bonds (distance) P-C4' energy: -61.513
flat angles C4'-P-C4' energy: -46.616
flat angles P-C4'-P energy: -38.576
tors. eta vs tors. theta energy: -8.984
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: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -350.580235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.580235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.580235 (E_RNA)
where:
Base-Base interactions energy: -135.485
where: short stacking energy: -90.710
Base-Backbone interact. energy: 1.600
local terms energy: -216.695077
where:
bonds (distance) C4'-P energy: -56.032
bonds (distance) P-C4' energy: -64.994
flat angles C4'-P-C4' energy: -57.219
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -281.092257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.092257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.092257 (E_RNA)
where:
Base-Base interactions energy: -115.003
where: short stacking energy: -91.546
Base-Backbone interact. energy: -0.437
local terms energy: -165.652245
where:
bonds (distance) C4'-P energy: -56.885
bonds (distance) P-C4' energy: -50.713
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: 3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -247.844190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.844190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.844190 (E_RNA)
where:
Base-Base interactions energy: -68.725
where: short stacking energy: -55.984
Base-Backbone interact. energy: -1.749
local terms energy: -177.370740
where:
bonds (distance) C4'-P energy: -55.436
bonds (distance) P-C4' energy: -56.625
flat angles C4'-P-C4' energy: -42.235
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: 11.446
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: 31
Temperature: 0.900000
Total energy: -951.163976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.163976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.163976 (E_RNA)
where:
Base-Base interactions energy: -602.109
where: short stacking energy: -268.207
Base-Backbone interact. energy: 0.581
local terms energy: -349.636097
where:
bonds (distance) C4'-P energy: -74.930
bonds (distance) P-C4' energy: -74.870
flat angles C4'-P-C4' energy: -71.721
flat angles P-C4'-P energy: -51.055
tors. eta vs tors. theta energy: -77.060
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: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -914.238160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.238160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.238160 (E_RNA)
where:
Base-Base interactions energy: -578.745
where: short stacking energy: -238.105
Base-Backbone interact. energy: -1.365
local terms energy: -334.128414
where:
bonds (distance) C4'-P energy: -63.199
bonds (distance) P-C4' energy: -71.004
flat angles C4'-P-C4' energy: -72.267
flat angles P-C4'-P energy: -52.507
tors. eta vs tors. theta energy: -75.151
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: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -756.356743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.356743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.356743 (E_RNA)
where:
Base-Base interactions energy: -469.615
where: short stacking energy: -236.427
Base-Backbone interact. energy: -0.782
local terms energy: -285.959909
where:
bonds (distance) C4'-P energy: -57.767
bonds (distance) P-C4' energy: -53.839
flat angles C4'-P-C4' energy: -66.816
flat angles P-C4'-P energy: -35.561
tors. eta vs tors. theta energy: -71.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -763.258869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.258869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.258869 (E_RNA)
where:
Base-Base interactions energy: -467.352
where: short stacking energy: -212.729
Base-Backbone interact. energy: -0.544
local terms energy: -295.362972
where:
bonds (distance) C4'-P energy: -53.334
bonds (distance) P-C4' energy: -58.921
flat angles C4'-P-C4' energy: -66.858
flat angles P-C4'-P energy: -49.526
tors. eta vs tors. theta energy: -66.725
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: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -539.693272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.693272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.693272 (E_RNA)
where:
Base-Base interactions energy: -255.518
where: short stacking energy: -140.367
Base-Backbone interact. energy: -2.469
local terms energy: -281.707095
where:
bonds (distance) C4'-P energy: -64.036
bonds (distance) P-C4' energy: -60.572
flat angles C4'-P-C4' energy: -65.455
flat angles P-C4'-P energy: -49.440
tors. eta vs tors. theta energy: -42.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -384.711980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.711980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.711980 (E_RNA)
where:
Base-Base interactions energy: -152.121
where: short stacking energy: -103.219
Base-Backbone interact. energy: -0.495
local terms energy: -232.095460
where:
bonds (distance) C4'-P energy: -63.739
bonds (distance) P-C4' energy: -62.237
flat angles C4'-P-C4' energy: -65.330
flat angles P-C4'-P energy: -31.275
tors. eta vs tors. theta energy: -9.514
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: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -340.905301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.905301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.905301 (E_RNA)
where:
Base-Base interactions energy: -148.772
where: short stacking energy: -95.130
Base-Backbone interact. energy: -0.421
local terms energy: -191.711906
where:
bonds (distance) C4'-P energy: -68.353
bonds (distance) P-C4' energy: -58.354
flat angles C4'-P-C4' energy: -39.017
flat angles P-C4'-P energy: -28.301
tors. eta vs tors. theta energy: 2.314
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: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -316.186089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.186089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.186089 (E_RNA)
where:
Base-Base interactions energy: -111.273
where: short stacking energy: -80.268
Base-Backbone interact. energy: -3.708
local terms energy: -201.205207
where:
bonds (distance) C4'-P energy: -63.134
bonds (distance) P-C4' energy: -56.400
flat angles C4'-P-C4' energy: -58.338
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: 5.225
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: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -267.247155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.247155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.247155 (E_RNA)
where:
Base-Base interactions energy: -76.272
where: short stacking energy: -63.378
Base-Backbone interact. energy: -1.831
local terms energy: -189.143732
where:
bonds (distance) C4'-P energy: -59.632
bonds (distance) P-C4' energy: -65.980
flat angles C4'-P-C4' energy: -46.272
flat angles P-C4'-P energy: -25.373
tors. eta vs tors. theta energy: 8.113
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: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -248.891902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.891902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.891902 (E_RNA)
where:
Base-Base interactions energy: -70.871
where: short stacking energy: -46.597
Base-Backbone interact. energy: 3.701
local terms energy: -181.722493
where:
bonds (distance) C4'-P energy: -55.286
bonds (distance) P-C4' energy: -55.167
flat angles C4'-P-C4' energy: -51.100
flat angles P-C4'-P energy: -29.787
tors. eta vs tors. theta energy: 9.619
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: 32
Temperature: 0.900000
Total energy: -960.247492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.247492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.247492 (E_RNA)
where:
Base-Base interactions energy: -630.408
where: short stacking energy: -276.094
Base-Backbone interact. energy: -1.423
local terms energy: -328.415941
where:
bonds (distance) C4'-P energy: -61.173
bonds (distance) P-C4' energy: -73.956
flat angles C4'-P-C4' energy: -69.539
flat angles P-C4'-P energy: -52.324
tors. eta vs tors. theta energy: -71.423
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: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -936.288175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.288175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.288175 (E_RNA)
where:
Base-Base interactions energy: -618.097
where: short stacking energy: -253.469
Base-Backbone interact. energy: 0.368
local terms energy: -318.559583
where:
bonds (distance) C4'-P energy: -55.816
bonds (distance) P-C4' energy: -61.832
flat angles C4'-P-C4' energy: -70.629
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -81.332
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: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -819.639212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.639212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.639212 (E_RNA)
where:
Base-Base interactions energy: -535.371
where: short stacking energy: -239.864
Base-Backbone interact. energy: -2.157
local terms energy: -282.111059
where:
bonds (distance) C4'-P energy: -61.853
bonds (distance) P-C4' energy: -58.357
flat angles C4'-P-C4' energy: -61.399
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: -61.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -726.600976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.600976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.600976 (E_RNA)
where:
Base-Base interactions energy: -458.278
where: short stacking energy: -200.442
Base-Backbone interact. energy: 0.376
local terms energy: -268.698811
where:
bonds (distance) C4'-P energy: -61.565
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -59.479
flat angles P-C4'-P energy: -40.779
tors. eta vs tors. theta energy: -52.210
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: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -512.320457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.320457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.320457 (E_RNA)
where:
Base-Base interactions energy: -263.405
where: short stacking energy: -143.303
Base-Backbone interact. energy: -0.972
local terms energy: -247.942806
where:
bonds (distance) C4'-P energy: -71.938
bonds (distance) P-C4' energy: -60.325
flat angles C4'-P-C4' energy: -58.438
flat angles P-C4'-P energy: -30.241
tors. eta vs tors. theta energy: -27.000
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: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -399.100811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.100811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.100811 (E_RNA)
where:
Base-Base interactions energy: -163.920
where: short stacking energy: -121.921
Base-Backbone interact. energy: -1.370
local terms energy: -233.810335
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -60.243
flat angles C4'-P-C4' energy: -71.235
flat angles P-C4'-P energy: -43.426
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -336.603898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.603898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.603898 (E_RNA)
where:
Base-Base interactions energy: -137.851
where: short stacking energy: -91.679
Base-Backbone interact. energy: -1.047
local terms energy: -197.705171
where:
bonds (distance) C4'-P energy: -52.175
bonds (distance) P-C4' energy: -62.547
flat angles C4'-P-C4' energy: -54.079
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -5.182
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: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -291.790229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.790229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.790229 (E_RNA)
where:
Base-Base interactions energy: -73.469
where: short stacking energy: -70.377
Base-Backbone interact. energy: -1.264
local terms energy: -217.057767
where:
bonds (distance) C4'-P energy: -59.017
bonds (distance) P-C4' energy: -72.742
flat angles C4'-P-C4' energy: -49.076
flat angles P-C4'-P energy: -33.726
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -298.710458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.710458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.710458 (E_RNA)
where:
Base-Base interactions energy: -120.746
where: short stacking energy: -61.128
Base-Backbone interact. energy: 2.733
local terms energy: -180.697130
where:
bonds (distance) C4'-P energy: -49.702
bonds (distance) P-C4' energy: -58.090
flat angles C4'-P-C4' energy: -63.177
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: 17.557
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: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -258.549416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.549416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.549416 (E_RNA)
where:
Base-Base interactions energy: -72.574
where: short stacking energy: -55.839
Base-Backbone interact. energy: 0.474
local terms energy: -186.449126
where:
bonds (distance) C4'-P energy: -62.205
bonds (distance) P-C4' energy: -60.178
flat angles C4'-P-C4' energy: -55.081
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: 26.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -976.521525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.521525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.521525 (E_RNA)
where:
Base-Base interactions energy: -642.812
where: short stacking energy: -250.443
Base-Backbone interact. energy: -2.044
local terms energy: -331.665555
where:
bonds (distance) C4'-P energy: -70.858
bonds (distance) P-C4' energy: -68.246
flat angles C4'-P-C4' energy: -71.247
flat angles P-C4'-P energy: -49.681
tors. eta vs tors. theta energy: -71.634
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: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -971.236646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.236646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.236646 (E_RNA)
where:
Base-Base interactions energy: -638.166
where: short stacking energy: -273.529
Base-Backbone interact. energy: -1.307
local terms energy: -331.763300
where:
bonds (distance) C4'-P energy: -73.327
bonds (distance) P-C4' energy: -71.175
flat angles C4'-P-C4' energy: -67.314
flat angles P-C4'-P energy: -37.633
tors. eta vs tors. theta energy: -82.314
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: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -831.898659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.898659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.898659 (E_RNA)
where:
Base-Base interactions energy: -544.800
where: short stacking energy: -234.705
Base-Backbone interact. energy: -1.487
local terms energy: -285.611933
where:
bonds (distance) C4'-P energy: -61.352
bonds (distance) P-C4' energy: -55.964
flat angles C4'-P-C4' energy: -63.025
flat angles P-C4'-P energy: -45.535
tors. eta vs tors. theta energy: -59.736
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: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -717.470921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.470921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.470921 (E_RNA)
where:
Base-Base interactions energy: -433.933
where: short stacking energy: -200.840
Base-Backbone interact. energy: 2.497
local terms energy: -286.035054
where:
bonds (distance) C4'-P energy: -67.185
bonds (distance) P-C4' energy: -68.115
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -45.970
tors. eta vs tors. theta energy: -43.586
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: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -485.143998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.143998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.143998 (E_RNA)
where:
Base-Base interactions energy: -258.782
where: short stacking energy: -140.756
Base-Backbone interact. energy: -1.035
local terms energy: -225.326698
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -60.301
flat angles C4'-P-C4' energy: -56.532
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -36.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -359.826770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.826770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.826770 (E_RNA)
where:
Base-Base interactions energy: -136.190
where: short stacking energy: -107.256
Base-Backbone interact. energy: -0.480
local terms energy: -223.157022
where:
bonds (distance) C4'-P energy: -55.905
bonds (distance) P-C4' energy: -65.678
flat angles C4'-P-C4' energy: -61.553
flat angles P-C4'-P energy: -35.137
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: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -319.645049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.645049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.645049 (E_RNA)
where:
Base-Base interactions energy: -124.160
where: short stacking energy: -104.610
Base-Backbone interact. energy: -1.604
local terms energy: -193.881191
where:
bonds (distance) C4'-P energy: -42.935
bonds (distance) P-C4' energy: -69.572
flat angles C4'-P-C4' energy: -50.638
flat angles P-C4'-P energy: -32.157
tors. eta vs tors. theta energy: 1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -316.686900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.686900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.686900 (E_RNA)
where:
Base-Base interactions energy: -123.639
where: short stacking energy: -88.106
Base-Backbone interact. energy: 0.658
local terms energy: -193.706135
where:
bonds (distance) C4'-P energy: -52.241
bonds (distance) P-C4' energy: -57.406
flat angles C4'-P-C4' energy: -64.733
flat angles P-C4'-P energy: -29.344
tors. eta vs tors. theta energy: 10.018
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: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -287.031044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.031044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.031044 (E_RNA)
where:
Base-Base interactions energy: -117.325
where: short stacking energy: -80.508
Base-Backbone interact. energy: 0.605
local terms energy: -170.311611
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -41.436
flat angles C4'-P-C4' energy: -48.637
flat angles P-C4'-P energy: -33.631
tors. eta vs tors. theta energy: 3.221
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: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -267.163219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.163219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.163219 (E_RNA)
where:
Base-Base interactions energy: -87.734
where: short stacking energy: -75.249
Base-Backbone interact. energy: 2.835
local terms energy: -182.264447
where:
bonds (distance) C4'-P energy: -56.604
bonds (distance) P-C4' energy: -58.449
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -22.746
tors. eta vs tors. theta energy: 7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -971.776169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.776169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.776169 (E_RNA)
where:
Base-Base interactions energy: -644.537
where: short stacking energy: -273.186
Base-Backbone interact. energy: -0.600
local terms energy: -326.639651
where:
bonds (distance) C4'-P energy: -68.422
bonds (distance) P-C4' energy: -69.883
flat angles C4'-P-C4' energy: -65.370
flat angles P-C4'-P energy: -43.839
tors. eta vs tors. theta energy: -79.126
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: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -933.648914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.648914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.648914 (E_RNA)
where:
Base-Base interactions energy: -623.697
where: short stacking energy: -228.176
Base-Backbone interact. energy: -3.183
local terms energy: -306.769637
where:
bonds (distance) C4'-P energy: -56.474
bonds (distance) P-C4' energy: -70.223
flat angles C4'-P-C4' energy: -75.299
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -64.117
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: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -836.121186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.121186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.121186 (E_RNA)
where:
Base-Base interactions energy: -520.006
where: short stacking energy: -233.051
Base-Backbone interact. energy: -2.321
local terms energy: -313.794622
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -75.512
flat angles C4'-P-C4' energy: -69.040
flat angles P-C4'-P energy: -44.411
tors. eta vs tors. theta energy: -73.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -735.769573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.769573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.769573 (E_RNA)
where:
Base-Base interactions energy: -440.532
where: short stacking energy: -205.173
Base-Backbone interact. energy: 3.382
local terms energy: -298.619414
where:
bonds (distance) C4'-P energy: -65.429
bonds (distance) P-C4' energy: -69.474
flat angles C4'-P-C4' energy: -60.112
flat angles P-C4'-P energy: -53.610
tors. eta vs tors. theta energy: -49.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -496.492247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.492247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.492247 (E_RNA)
where:
Base-Base interactions energy: -240.659
where: short stacking energy: -120.123
Base-Backbone interact. energy: -2.059
local terms energy: -253.773533
where:
bonds (distance) C4'-P energy: -67.802
bonds (distance) P-C4' energy: -70.842
flat angles C4'-P-C4' energy: -60.407
flat angles P-C4'-P energy: -34.126
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: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -371.993012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.993012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.993012 (E_RNA)
where:
Base-Base interactions energy: -159.812
where: short stacking energy: -113.715
Base-Backbone interact. energy: 1.708
local terms energy: -213.888393
where:
bonds (distance) C4'-P energy: -58.586
bonds (distance) P-C4' energy: -56.826
flat angles C4'-P-C4' energy: -53.277
flat angles P-C4'-P energy: -37.572
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -347.119447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.119447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.119447 (E_RNA)
where:
Base-Base interactions energy: -145.225
where: short stacking energy: -86.302
Base-Backbone interact. energy: -2.211
local terms energy: -199.988561
where:
bonds (distance) C4'-P energy: -48.305
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -46.169
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: 0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.305 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -310.819820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.819820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.819820 (E_RNA)
where:
Base-Base interactions energy: -92.214
where: short stacking energy: -60.615
Base-Backbone interact. energy: -1.264
local terms energy: -217.342527
where:
bonds (distance) C4'-P energy: -55.612
bonds (distance) P-C4' energy: -62.972
flat angles C4'-P-C4' energy: -55.391
flat angles P-C4'-P energy: -39.980
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -279.737240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.737240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.737240 (E_RNA)
where:
Base-Base interactions energy: -103.880
where: short stacking energy: -70.919
Base-Backbone interact. energy: -1.726
local terms energy: -174.131533
where:
bonds (distance) C4'-P energy: -48.802
bonds (distance) P-C4' energy: -62.339
flat angles C4'-P-C4' energy: -43.700
flat angles P-C4'-P energy: -29.671
tors. eta vs tors. theta energy: 10.381
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: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -276.806456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.806456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.806456 (E_RNA)
where:
Base-Base interactions energy: -104.458
where: short stacking energy: -69.808
Base-Backbone interact. energy: 1.312
local terms energy: -173.660328
where:
bonds (distance) C4'-P energy: -60.013
bonds (distance) P-C4' energy: -56.552
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -982.502932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.502932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.502932 (E_RNA)
where:
Base-Base interactions energy: -651.747
where: short stacking energy: -260.110
Base-Backbone interact. energy: -1.267
local terms energy: -329.488895
where:
bonds (distance) C4'-P energy: -68.360
bonds (distance) P-C4' energy: -69.765
flat angles C4'-P-C4' energy: -73.730
flat angles P-C4'-P energy: -48.558
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: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -877.575156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.575156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.575156 (E_RNA)
where:
Base-Base interactions energy: -567.615
where: short stacking energy: -235.629
Base-Backbone interact. energy: -0.950
local terms energy: -309.009836
where:
bonds (distance) C4'-P energy: -64.146
bonds (distance) P-C4' energy: -71.894
flat angles C4'-P-C4' energy: -67.102
flat angles P-C4'-P energy: -40.135
tors. eta vs tors. theta energy: -65.732
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: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -812.040622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.040622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.040622 (E_RNA)
where:
Base-Base interactions energy: -506.486
where: short stacking energy: -230.546
Base-Backbone interact. energy: -1.709
local terms energy: -303.845701
where:
bonds (distance) C4'-P energy: -60.142
bonds (distance) P-C4' energy: -65.405
flat angles C4'-P-C4' energy: -68.358
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -69.338
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: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -722.334049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.334049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.334049 (E_RNA)
where:
Base-Base interactions energy: -428.959
where: short stacking energy: -199.594
Base-Backbone interact. energy: -1.272
local terms energy: -292.102200
where:
bonds (distance) C4'-P energy: -70.754
bonds (distance) P-C4' energy: -74.400
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -32.444
tors. eta vs tors. theta energy: -50.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -494.243917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.243917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.243917 (E_RNA)
where:
Base-Base interactions energy: -240.437
where: short stacking energy: -131.857
Base-Backbone interact. energy: -3.328
local terms energy: -250.479723
where:
bonds (distance) C4'-P energy: -64.357
bonds (distance) P-C4' energy: -68.543
flat angles C4'-P-C4' energy: -66.039
flat angles P-C4'-P energy: -34.166
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: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -366.340911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.340911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.340911 (E_RNA)
where:
Base-Base interactions energy: -145.529
where: short stacking energy: -96.751
Base-Backbone interact. energy: -0.937
local terms energy: -220.118287
where:
bonds (distance) C4'-P energy: -50.396
bonds (distance) P-C4' energy: -65.894
flat angles C4'-P-C4' energy: -60.593
flat angles P-C4'-P energy: -38.503
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.244 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -336.476422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.476422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.476422 (E_RNA)
where:
Base-Base interactions energy: -129.547
where: short stacking energy: -105.628
Base-Backbone interact. energy: -1.843
local terms energy: -205.086122
where:
bonds (distance) C4'-P energy: -51.058
bonds (distance) P-C4' energy: -62.569
flat angles C4'-P-C4' energy: -58.564
flat angles P-C4'-P energy: -32.667
tors. eta vs tors. theta energy: -0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -303.648428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.648428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.648428 (E_RNA)
where:
Base-Base interactions energy: -103.396
where: short stacking energy: -85.212
Base-Backbone interact. energy: 2.988
local terms energy: -203.241148
where:
bonds (distance) C4'-P energy: -58.187
bonds (distance) P-C4' energy: -58.439
flat angles C4'-P-C4' energy: -52.366
flat angles P-C4'-P energy: -42.380
tors. eta vs tors. theta energy: 8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -268.628353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.628353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.628353 (E_RNA)
where:
Base-Base interactions energy: -84.228
where: short stacking energy: -73.525
Base-Backbone interact. energy: -0.736
local terms energy: -183.678659
where:
bonds (distance) C4'-P energy: -61.107
bonds (distance) P-C4' energy: -60.010
flat angles C4'-P-C4' energy: -46.380
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: 0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.014 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -257.260522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.260522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.260522 (E_RNA)
where:
Base-Base interactions energy: -85.995
where: short stacking energy: -71.898
Base-Backbone interact. energy: -1.735
local terms energy: -169.530981
where:
bonds (distance) C4'-P energy: -53.303
bonds (distance) P-C4' energy: -46.269
flat angles C4'-P-C4' energy: -54.360
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: 0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -985.854409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.854409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.854409 (E_RNA)
where:
Base-Base interactions energy: -634.522
where: short stacking energy: -281.742
Base-Backbone interact. energy: 1.599
local terms energy: -352.931654
where:
bonds (distance) C4'-P energy: -73.111
bonds (distance) P-C4' energy: -76.087
flat angles C4'-P-C4' energy: -68.040
flat angles P-C4'-P energy: -45.062
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -861.329129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.329129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.329129 (E_RNA)
where:
Base-Base interactions energy: -548.517
where: short stacking energy: -247.478
Base-Backbone interact. energy: 0.305
local terms energy: -313.117718
where:
bonds (distance) C4'-P energy: -61.230
bonds (distance) P-C4' energy: -65.886
flat angles C4'-P-C4' energy: -66.812
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: -76.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -781.843782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.843782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.843782 (E_RNA)
where:
Base-Base interactions energy: -485.532
where: short stacking energy: -222.932
Base-Backbone interact. energy: 0.876
local terms energy: -297.187552
where:
bonds (distance) C4'-P energy: -62.292
bonds (distance) P-C4' energy: -71.042
flat angles C4'-P-C4' energy: -62.234
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -71.691
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: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -761.972250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.972250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.972250 (E_RNA)
where:
Base-Base interactions energy: -475.791
where: short stacking energy: -220.043
Base-Backbone interact. energy: -0.259
local terms energy: -285.921730
where:
bonds (distance) C4'-P energy: -52.698
bonds (distance) P-C4' energy: -70.403
flat angles C4'-P-C4' energy: -61.743
flat angles P-C4'-P energy: -43.364
tors. eta vs tors. theta energy: -57.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -507.722942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.722942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.722942 (E_RNA)
where:
Base-Base interactions energy: -264.658
where: short stacking energy: -135.152
Base-Backbone interact. energy: 1.770
local terms energy: -244.834877
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -64.531
flat angles C4'-P-C4' energy: -62.649
flat angles P-C4'-P energy: -43.020
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -354.041368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.041368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.041368 (E_RNA)
where:
Base-Base interactions energy: -136.282
where: short stacking energy: -107.440
Base-Backbone interact. energy: 4.756
local terms energy: -222.515800
where:
bonds (distance) C4'-P energy: -55.955
bonds (distance) P-C4' energy: -69.648
flat angles C4'-P-C4' energy: -59.439
flat angles P-C4'-P energy: -29.873
tors. eta vs tors. theta energy: -7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -346.904849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.904849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.904849 (E_RNA)
where:
Base-Base interactions energy: -132.569
where: short stacking energy: -75.482
Base-Backbone interact. energy: 0.855
local terms energy: -215.191290
where:
bonds (distance) C4'-P energy: -63.982
bonds (distance) P-C4' energy: -67.192
flat angles C4'-P-C4' energy: -58.022
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: 11.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -302.322216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.322216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.322216 (E_RNA)
where:
Base-Base interactions energy: -122.242
where: short stacking energy: -82.905
Base-Backbone interact. energy: 1.048
local terms energy: -181.128940
where:
bonds (distance) C4'-P energy: -55.430
bonds (distance) P-C4' energy: -60.648
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -269.854341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.854341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.854341 (E_RNA)
where:
Base-Base interactions energy: -100.351
where: short stacking energy: -65.169
Base-Backbone interact. energy: 0.266
local terms energy: -169.769664
where:
bonds (distance) C4'-P energy: -63.326
bonds (distance) P-C4' energy: -63.062
flat angles C4'-P-C4' energy: -38.994
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: 22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -271.491557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.491557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.491557 (E_RNA)
where:
Base-Base interactions energy: -93.756
where: short stacking energy: -56.721
Base-Backbone interact. energy: 0.287
local terms energy: -178.023046
where:
bonds (distance) C4'-P energy: -61.930
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -52.011
flat angles P-C4'-P energy: -33.840
tors. eta vs tors. theta energy: 10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -962.397440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.397440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.397440 (E_RNA)
where:
Base-Base interactions energy: -621.064
where: short stacking energy: -265.630
Base-Backbone interact. energy: 0.559
local terms energy: -341.892863
where:
bonds (distance) C4'-P energy: -63.392
bonds (distance) P-C4' energy: -68.583
flat angles C4'-P-C4' energy: -76.989
flat angles P-C4'-P energy: -57.696
tors. eta vs tors. theta energy: -75.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -860.566637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.566637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.566637 (E_RNA)
where:
Base-Base interactions energy: -554.475
where: short stacking energy: -254.212
Base-Backbone interact. energy: -2.058
local terms energy: -304.034174
where:
bonds (distance) C4'-P energy: -57.099
bonds (distance) P-C4' energy: -74.663
flat angles C4'-P-C4' energy: -59.168
flat angles P-C4'-P energy: -46.041
tors. eta vs tors. theta energy: -67.064
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: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -819.088643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.088643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.088643 (E_RNA)
where:
Base-Base interactions energy: -534.058
where: short stacking energy: -233.330
Base-Backbone interact. energy: -0.605
local terms energy: -284.424923
where:
bonds (distance) C4'-P energy: -56.397
bonds (distance) P-C4' energy: -66.920
flat angles C4'-P-C4' energy: -67.787
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -58.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -750.065518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.065518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.065518 (E_RNA)
where:
Base-Base interactions energy: -473.465
where: short stacking energy: -192.885
Base-Backbone interact. energy: 5.404
local terms energy: -282.004564
where:
bonds (distance) C4'-P energy: -56.474
bonds (distance) P-C4' energy: -63.935
flat angles C4'-P-C4' energy: -61.883
flat angles P-C4'-P energy: -43.237
tors. eta vs tors. theta energy: -56.475
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: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -492.175087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.175087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.175087 (E_RNA)
where:
Base-Base interactions energy: -242.654
where: short stacking energy: -153.461
Base-Backbone interact. energy: 0.432
local terms energy: -249.952713
where:
bonds (distance) C4'-P energy: -65.883
bonds (distance) P-C4' energy: -67.501
flat angles C4'-P-C4' energy: -58.992
flat angles P-C4'-P energy: -33.575
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: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -386.168003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.168003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.168003 (E_RNA)
where:
Base-Base interactions energy: -148.574
where: short stacking energy: -108.457
Base-Backbone interact. energy: -1.893
local terms energy: -235.704465
where:
bonds (distance) C4'-P energy: -63.227
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -55.081
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.004 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -362.411270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.411270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.411270 (E_RNA)
where:
Base-Base interactions energy: -140.501
where: short stacking energy: -126.152
Base-Backbone interact. energy: 2.184
local terms energy: -224.471169
where:
bonds (distance) C4'-P energy: -50.937
bonds (distance) P-C4' energy: -72.106
flat angles C4'-P-C4' energy: -48.594
flat angles P-C4'-P energy: -40.384
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.378 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -294.212988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.212988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.212988 (E_RNA)
where:
Base-Base interactions energy: -104.625
where: short stacking energy: -73.380
Base-Backbone interact. energy: -0.628
local terms energy: -188.960377
where:
bonds (distance) C4'-P energy: -69.093
bonds (distance) P-C4' energy: -53.544
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -275.088523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.088523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.088523 (E_RNA)
where:
Base-Base interactions energy: -103.838
where: short stacking energy: -84.953
Base-Backbone interact. energy: -1.781
local terms energy: -169.469786
where:
bonds (distance) C4'-P energy: -47.238
bonds (distance) P-C4' energy: -56.141
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -32.500
tors. eta vs tors. theta energy: 4.849
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: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -262.670919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.670919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.670919 (E_RNA)
where:
Base-Base interactions energy: -103.407
where: short stacking energy: -66.351
Base-Backbone interact. energy: 1.055
local terms energy: -160.319719
where:
bonds (distance) C4'-P energy: -52.046
bonds (distance) P-C4' energy: -59.450
flat angles C4'-P-C4' energy: -38.141
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: 7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -955.671789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.671789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.671789 (E_RNA)
where:
Base-Base interactions energy: -626.875
where: short stacking energy: -280.182
Base-Backbone interact. energy: -1.189
local terms energy: -327.607682
where:
bonds (distance) C4'-P energy: -64.307
bonds (distance) P-C4' energy: -75.212
flat angles C4'-P-C4' energy: -68.055
flat angles P-C4'-P energy: -51.693
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: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -873.589889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.589889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.589889 (E_RNA)
where:
Base-Base interactions energy: -558.157
where: short stacking energy: -247.163
Base-Backbone interact. energy: -3.994
local terms energy: -311.439045
where:
bonds (distance) C4'-P energy: -67.259
bonds (distance) P-C4' energy: -65.616
flat angles C4'-P-C4' energy: -63.345
flat angles P-C4'-P energy: -47.692
tors. eta vs tors. theta energy: -67.527
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: 38
Temperature: 1.000000
Total energy: -843.226368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.226368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.226368 (E_RNA)
where:
Base-Base interactions energy: -538.119
where: short stacking energy: -277.190
Base-Backbone interact. energy: -0.481
local terms energy: -304.626535
where:
bonds (distance) C4'-P energy: -54.412
bonds (distance) P-C4' energy: -56.558
flat angles C4'-P-C4' energy: -70.974
flat angles P-C4'-P energy: -42.234
tors. eta vs tors. theta energy: -80.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -690.110481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.110481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.110481 (E_RNA)
where:
Base-Base interactions energy: -407.695
where: short stacking energy: -175.813
Base-Backbone interact. energy: 0.195
local terms energy: -282.610733
where:
bonds (distance) C4'-P energy: -58.378
bonds (distance) P-C4' energy: -71.459
flat angles C4'-P-C4' energy: -66.721
flat angles P-C4'-P energy: -39.948
tors. eta vs tors. theta energy: -46.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -511.634200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.634200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.634200 (E_RNA)
where:
Base-Base interactions energy: -260.311
where: short stacking energy: -151.606
Base-Backbone interact. energy: -1.059
local terms energy: -250.264614
where:
bonds (distance) C4'-P energy: -58.998
bonds (distance) P-C4' energy: -64.620
flat angles C4'-P-C4' energy: -69.866
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -463.775867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.775867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.775867 (E_RNA)
where:
Base-Base interactions energy: -254.552
where: short stacking energy: -113.854
Base-Backbone interact. energy: -1.032
local terms energy: -208.191966
where:
bonds (distance) C4'-P energy: -58.712
bonds (distance) P-C4' energy: -60.568
flat angles C4'-P-C4' energy: -50.053
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -350.743551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.743551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.743551 (E_RNA)
where:
Base-Base interactions energy: -143.491
where: short stacking energy: -84.125
Base-Backbone interact. energy: -0.458
local terms energy: -206.794153
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -57.542
flat angles C4'-P-C4' energy: -56.034
flat angles P-C4'-P energy: -30.550
tors. eta vs tors. theta energy: -3.805
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: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -311.670259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.670259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.670259 (E_RNA)
where:
Base-Base interactions energy: -102.799
where: short stacking energy: -84.733
Base-Backbone interact. energy: -1.493
local terms energy: -207.378642
where:
bonds (distance) C4'-P energy: -54.261
bonds (distance) P-C4' energy: -70.650
flat angles C4'-P-C4' energy: -53.438
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -301.643380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.643380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.643380 (E_RNA)
where:
Base-Base interactions energy: -129.277
where: short stacking energy: -106.154
Base-Backbone interact. energy: -1.463
local terms energy: -170.904136
where:
bonds (distance) C4'-P energy: -43.966
bonds (distance) P-C4' energy: -60.451
flat angles C4'-P-C4' energy: -44.458
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: 2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -277.667298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.667298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.667298 (E_RNA)
where:
Base-Base interactions energy: -111.319
where: short stacking energy: -68.744
Base-Backbone interact. energy: -0.235
local terms energy: -166.112812
where:
bonds (distance) C4'-P energy: -47.287
bonds (distance) P-C4' energy: -55.998
flat angles C4'-P-C4' energy: -49.522
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: 10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -964.425190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.425190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.425190 (E_RNA)
where:
Base-Base interactions energy: -644.183
where: short stacking energy: -276.147
Base-Backbone interact. energy: -1.938
local terms energy: -318.304416
where:
bonds (distance) C4'-P energy: -62.580
bonds (distance) P-C4' energy: -66.501
flat angles C4'-P-C4' energy: -64.300
flat angles P-C4'-P energy: -46.168
tors. eta vs tors. theta energy: -78.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -844.494105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.494105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.494105 (E_RNA)
where:
Base-Base interactions energy: -524.487
where: short stacking energy: -204.483
Base-Backbone interact. energy: -0.963
local terms energy: -319.044346
where:
bonds (distance) C4'-P energy: -73.698
bonds (distance) P-C4' energy: -78.705
flat angles C4'-P-C4' energy: -63.144
flat angles P-C4'-P energy: -48.804
tors. eta vs tors. theta energy: -54.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -870.666153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.666153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.666153 (E_RNA)
where:
Base-Base interactions energy: -546.370
where: short stacking energy: -257.728
Base-Backbone interact. energy: -0.829
local terms energy: -323.466729
where:
bonds (distance) C4'-P energy: -60.719
bonds (distance) P-C4' energy: -65.559
flat angles C4'-P-C4' energy: -75.886
flat angles P-C4'-P energy: -42.062
tors. eta vs tors. theta energy: -79.240
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: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -688.637263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.637263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.637263 (E_RNA)
where:
Base-Base interactions energy: -428.601
where: short stacking energy: -194.317
Base-Backbone interact. energy: -1.253
local terms energy: -258.783514
where:
bonds (distance) C4'-P energy: -57.251
bonds (distance) P-C4' energy: -52.037
flat angles C4'-P-C4' energy: -55.224
flat angles P-C4'-P energy: -42.250
tors. eta vs tors. theta energy: -52.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -511.778076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.778076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.778076 (E_RNA)
where:
Base-Base interactions energy: -284.760
where: short stacking energy: -160.983
Base-Backbone interact. energy: 1.278
local terms energy: -228.295963
where:
bonds (distance) C4'-P energy: -50.833
bonds (distance) P-C4' energy: -60.698
flat angles C4'-P-C4' energy: -51.191
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -37.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -452.110850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.110850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.110850 (E_RNA)
where:
Base-Base interactions energy: -220.444
where: short stacking energy: -104.850
Base-Backbone interact. energy: 3.709
local terms energy: -235.376406
where:
bonds (distance) C4'-P energy: -69.898
bonds (distance) P-C4' energy: -68.093
flat angles C4'-P-C4' energy: -53.304
flat angles P-C4'-P energy: -32.196
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -313.232628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.232628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.232628 (E_RNA)
where:
Base-Base interactions energy: -107.221
where: short stacking energy: -76.412
Base-Backbone interact. energy: -1.831
local terms energy: -204.181371
where:
bonds (distance) C4'-P energy: -65.879
bonds (distance) P-C4' energy: -62.058
flat angles C4'-P-C4' energy: -49.020
flat angles P-C4'-P energy: -25.730
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -314.571858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.571858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.571858 (E_RNA)
where:
Base-Base interactions energy: -137.954
where: short stacking energy: -82.705
Base-Backbone interact. energy: -1.895
local terms energy: -174.722668
where:
bonds (distance) C4'-P energy: -54.143
bonds (distance) P-C4' energy: -58.135
flat angles C4'-P-C4' energy: -48.804
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: 4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -295.836246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.836246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.836246 (E_RNA)
where:
Base-Base interactions energy: -110.403
where: short stacking energy: -75.126
Base-Backbone interact. energy: -0.687
local terms energy: -184.745943
where:
bonds (distance) C4'-P energy: -59.913
bonds (distance) P-C4' energy: -52.463
flat angles C4'-P-C4' energy: -53.750
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: 9.173
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: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -263.920908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.920908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.920908 (E_RNA)
where:
Base-Base interactions energy: -94.407
where: short stacking energy: -81.329
Base-Backbone interact. energy: 0.238
local terms energy: -169.751844
where:
bonds (distance) C4'-P energy: -52.357
bonds (distance) P-C4' energy: -60.213
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -2.332
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: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -963.242378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.242378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.242378 (E_RNA)
where:
Base-Base interactions energy: -615.016
where: short stacking energy: -266.792
Base-Backbone interact. energy: -0.775
local terms energy: -347.451400
where:
bonds (distance) C4'-P energy: -75.971
bonds (distance) P-C4' energy: -69.327
flat angles C4'-P-C4' energy: -71.509
flat angles P-C4'-P energy: -50.267
tors. eta vs tors. theta energy: -80.377
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: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -857.184057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.184057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.184057 (E_RNA)
where:
Base-Base interactions energy: -533.113
where: short stacking energy: -246.857
Base-Backbone interact. energy: -0.775
local terms energy: -323.296039
where:
bonds (distance) C4'-P energy: -67.585
bonds (distance) P-C4' energy: -68.586
flat angles C4'-P-C4' energy: -68.985
flat angles P-C4'-P energy: -48.499
tors. eta vs tors. theta energy: -69.641
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: 40
Temperature: 1.000000
Total energy: -829.048223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.048223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.048223 (E_RNA)
where:
Base-Base interactions energy: -530.479
where: short stacking energy: -239.135
Base-Backbone interact. energy: -0.256
local terms energy: -298.313527
where:
bonds (distance) C4'-P energy: -66.110
bonds (distance) P-C4' energy: -67.173
flat angles C4'-P-C4' energy: -62.466
flat angles P-C4'-P energy: -42.950
tors. eta vs tors. theta energy: -59.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -712.954641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.954641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.954641 (E_RNA)
where:
Base-Base interactions energy: -430.750
where: short stacking energy: -195.769
Base-Backbone interact. energy: 0.804
local terms energy: -283.008920
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -59.001
flat angles C4'-P-C4' energy: -59.954
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: -52.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -568.230387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.230387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.230387 (E_RNA)
where:
Base-Base interactions energy: -321.881
where: short stacking energy: -125.930
Base-Backbone interact. energy: -0.927
local terms energy: -245.421660
where:
bonds (distance) C4'-P energy: -70.878
bonds (distance) P-C4' energy: -64.353
flat angles C4'-P-C4' energy: -61.133
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -474.560748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.560748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.560748 (E_RNA)
where:
Base-Base interactions energy: -243.850
where: short stacking energy: -138.363
Base-Backbone interact. energy: 1.630
local terms energy: -232.340868
where:
bonds (distance) C4'-P energy: -63.727
bonds (distance) P-C4' energy: -63.380
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -34.991
tors. eta vs tors. theta energy: -26.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -391.970835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.970835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.970835 (E_RNA)
where:
Base-Base interactions energy: -177.403
where: short stacking energy: -110.793
Base-Backbone interact. energy: 2.477
local terms energy: -217.044813
where:
bonds (distance) C4'-P energy: -63.776
bonds (distance) P-C4' energy: -59.943
flat angles C4'-P-C4' energy: -62.151
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -333.167112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.167112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.167112 (E_RNA)
where:
Base-Base interactions energy: -121.754
where: short stacking energy: -94.749
Base-Backbone interact. energy: 3.972
local terms energy: -215.385081
where:
bonds (distance) C4'-P energy: -60.171
bonds (distance) P-C4' energy: -56.604
flat angles C4'-P-C4' energy: -52.502
flat angles P-C4'-P energy: -40.752
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -307.616164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.616164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.616164 (E_RNA)
where:
Base-Base interactions energy: -112.840
where: short stacking energy: -94.750
Base-Backbone interact. energy: -0.671
local terms energy: -194.105097
where:
bonds (distance) C4'-P energy: -39.985
bonds (distance) P-C4' energy: -55.825
flat angles C4'-P-C4' energy: -56.488
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -263.866598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.866598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.866598 (E_RNA)
where:
Base-Base interactions energy: -89.204
where: short stacking energy: -59.743
Base-Backbone interact. energy: 0.456
local terms energy: -175.118056
where:
bonds (distance) C4'-P energy: -71.144
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -38.324
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: 7.128
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: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -977.862467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.862467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.862467 (E_RNA)
where:
Base-Base interactions energy: -638.557
where: short stacking energy: -270.139
Base-Backbone interact. energy: -0.680
local terms energy: -338.625856
where:
bonds (distance) C4'-P energy: -58.788
bonds (distance) P-C4' energy: -72.178
flat angles C4'-P-C4' energy: -76.337
flat angles P-C4'-P energy: -57.766
tors. eta vs tors. theta energy: -73.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -869.602962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.602962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.602962 (E_RNA)
where:
Base-Base interactions energy: -555.607
where: short stacking energy: -233.341
Base-Backbone interact. energy: -2.811
local terms energy: -311.184954
where:
bonds (distance) C4'-P energy: -60.528
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -76.345
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -67.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -831.616672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.616672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.616672 (E_RNA)
where:
Base-Base interactions energy: -507.076
where: short stacking energy: -249.090
Base-Backbone interact. energy: -2.344
local terms energy: -322.197182
where:
bonds (distance) C4'-P energy: -61.795
bonds (distance) P-C4' energy: -62.338
flat angles C4'-P-C4' energy: -68.857
flat angles P-C4'-P energy: -57.245
tors. eta vs tors. theta energy: -71.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -705.609864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.609864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.609864 (E_RNA)
where:
Base-Base interactions energy: -429.141
where: short stacking energy: -188.113
Base-Backbone interact. energy: 1.984
local terms energy: -278.452856
where:
bonds (distance) C4'-P energy: -63.475
bonds (distance) P-C4' energy: -66.225
flat angles C4'-P-C4' energy: -64.474
flat angles P-C4'-P energy: -38.399
tors. eta vs tors. theta energy: -45.881
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: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -573.649421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.649421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.649421 (E_RNA)
where:
Base-Base interactions energy: -320.918
where: short stacking energy: -156.010
Base-Backbone interact. energy: -1.412
local terms energy: -251.319414
where:
bonds (distance) C4'-P energy: -59.706
bonds (distance) P-C4' energy: -58.334
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: -45.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -514.390028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.390028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.390028 (E_RNA)
where:
Base-Base interactions energy: -285.674
where: short stacking energy: -126.922
Base-Backbone interact. energy: -0.772
local terms energy: -227.943507
where:
bonds (distance) C4'-P energy: -55.513
bonds (distance) P-C4' energy: -63.238
flat angles C4'-P-C4' energy: -64.450
flat angles P-C4'-P energy: -33.663
tors. eta vs tors. theta energy: -11.081
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: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -326.421837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.421837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.421837 (E_RNA)
where:
Base-Base interactions energy: -138.923
where: short stacking energy: -104.679
Base-Backbone interact. energy: -0.935
local terms energy: -186.562960
where:
bonds (distance) C4'-P energy: -50.434
bonds (distance) P-C4' energy: -58.759
flat angles C4'-P-C4' energy: -43.873
flat angles P-C4'-P energy: -20.774
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: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -328.037239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.037239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.037239 (E_RNA)
where:
Base-Base interactions energy: -119.537
where: short stacking energy: -79.495
Base-Backbone interact. energy: -0.467
local terms energy: -208.033038
where:
bonds (distance) C4'-P energy: -65.442
bonds (distance) P-C4' energy: -64.456
flat angles C4'-P-C4' energy: -49.709
flat angles P-C4'-P energy: -30.733
tors. eta vs tors. theta energy: 2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -283.909326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.909326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.909326 (E_RNA)
where:
Base-Base interactions energy: -101.101
where: short stacking energy: -57.226
Base-Backbone interact. energy: 0.752
local terms energy: -183.559693
where:
bonds (distance) C4'-P energy: -54.696
bonds (distance) P-C4' energy: -66.763
flat angles C4'-P-C4' energy: -49.127
flat angles P-C4'-P energy: -32.960
tors. eta vs tors. theta energy: 19.987
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: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -256.432810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.432810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.432810 (E_RNA)
where:
Base-Base interactions energy: -78.238
where: short stacking energy: -70.335
Base-Backbone interact. energy: 3.457
local terms energy: -181.651485
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -56.012
flat angles C4'-P-C4' energy: -51.700
flat angles P-C4'-P energy: -37.309
tors. eta vs tors. theta energy: 10.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -976.653234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.653234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.653234 (E_RNA)
where:
Base-Base interactions energy: -646.308
where: short stacking energy: -255.058
Base-Backbone interact. energy: -0.026
local terms energy: -330.319770
where:
bonds (distance) C4'-P energy: -68.766
bonds (distance) P-C4' energy: -66.127
flat angles C4'-P-C4' energy: -67.581
flat angles P-C4'-P energy: -47.003
tors. eta vs tors. theta energy: -80.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -869.336751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.336751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.336751 (E_RNA)
where:
Base-Base interactions energy: -542.561
where: short stacking energy: -224.636
Base-Backbone interact. energy: -3.684
local terms energy: -323.092328
where:
bonds (distance) C4'-P energy: -71.427
bonds (distance) P-C4' energy: -71.206
flat angles C4'-P-C4' energy: -71.850
flat angles P-C4'-P energy: -43.556
tors. eta vs tors. theta energy: -65.053
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: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -821.905042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.905042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.905042 (E_RNA)
where:
Base-Base interactions energy: -515.144
where: short stacking energy: -216.199
Base-Backbone interact. energy: 0.271
local terms energy: -307.032286
where:
bonds (distance) C4'-P energy: -70.770
bonds (distance) P-C4' energy: -69.190
flat angles C4'-P-C4' energy: -64.667
flat angles P-C4'-P energy: -46.841
tors. eta vs tors. theta energy: -55.564
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: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -725.304810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.304810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.304810 (E_RNA)
where:
Base-Base interactions energy: -441.240
where: short stacking energy: -220.078
Base-Backbone interact. energy: -2.709
local terms energy: -281.355225
where:
bonds (distance) C4'-P energy: -74.601
bonds (distance) P-C4' energy: -55.293
flat angles C4'-P-C4' energy: -64.032
flat angles P-C4'-P energy: -37.218
tors. eta vs tors. theta energy: -50.212
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: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -616.930985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.930985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.930985 (E_RNA)
where:
Base-Base interactions energy: -346.426
where: short stacking energy: -193.459
Base-Backbone interact. energy: -1.997
local terms energy: -268.508248
where:
bonds (distance) C4'-P energy: -57.760
bonds (distance) P-C4' energy: -68.185
flat angles C4'-P-C4' energy: -59.426
flat angles P-C4'-P energy: -37.212
tors. eta vs tors. theta energy: -45.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -585.913772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.913772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.913772 (E_RNA)
where:
Base-Base interactions energy: -337.617
where: short stacking energy: -142.092
Base-Backbone interact. energy: -0.191
local terms energy: -248.105644
where:
bonds (distance) C4'-P energy: -59.364
bonds (distance) P-C4' energy: -61.543
flat angles C4'-P-C4' energy: -61.071
flat angles P-C4'-P energy: -42.051
tors. eta vs tors. theta energy: -24.077
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: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -356.979325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.979325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.979325 (E_RNA)
where:
Base-Base interactions energy: -146.118
where: short stacking energy: -105.004
Base-Backbone interact. energy: 1.594
local terms energy: -212.455042
where:
bonds (distance) C4'-P energy: -59.627
bonds (distance) P-C4' energy: -69.302
flat angles C4'-P-C4' energy: -53.928
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -314.831917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.831917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.831917 (E_RNA)
where:
Base-Base interactions energy: -105.969
where: short stacking energy: -75.801
Base-Backbone interact. energy: -1.800
local terms energy: -207.063536
where:
bonds (distance) C4'-P energy: -66.414
bonds (distance) P-C4' energy: -59.800
flat angles C4'-P-C4' energy: -55.359
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: 1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -276.419630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.419630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.419630 (E_RNA)
where:
Base-Base interactions energy: -97.778
where: short stacking energy: -70.579
Base-Backbone interact. energy: 2.501
local terms energy: -181.142024
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -50.965
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: 18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -265.744041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.744041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.744041 (E_RNA)
where:
Base-Base interactions energy: -106.753
where: short stacking energy: -67.097
Base-Backbone interact. energy: 2.246
local terms energy: -161.237030
where:
bonds (distance) C4'-P energy: -55.878
bonds (distance) P-C4' energy: -51.056
flat angles C4'-P-C4' energy: -41.461
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: 12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -996.922886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.922886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.922886 (E_RNA)
where:
Base-Base interactions energy: -658.785
where: short stacking energy: -259.697
Base-Backbone interact. energy: -0.887
local terms energy: -337.251542
where:
bonds (distance) C4'-P energy: -71.772
bonds (distance) P-C4' energy: -60.747
flat angles C4'-P-C4' energy: -70.994
flat angles P-C4'-P energy: -53.018
tors. eta vs tors. theta energy: -80.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -890.009084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.009084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.009084 (E_RNA)
where:
Base-Base interactions energy: -574.566
where: short stacking energy: -251.308
Base-Backbone interact. energy: 4.574
local terms energy: -320.017446
where:
bonds (distance) C4'-P energy: -64.218
bonds (distance) P-C4' energy: -67.834
flat angles C4'-P-C4' energy: -68.529
flat angles P-C4'-P energy: -45.851
tors. eta vs tors. theta energy: -73.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -829.888911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.888911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.888911 (E_RNA)
where:
Base-Base interactions energy: -541.071
where: short stacking energy: -234.145
Base-Backbone interact. energy: -1.789
local terms energy: -287.029556
where:
bonds (distance) C4'-P energy: -57.464
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -38.721
tors. eta vs tors. theta energy: -62.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -780.409686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.409686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.409686 (E_RNA)
where:
Base-Base interactions energy: -495.176
where: short stacking energy: -225.495
Base-Backbone interact. energy: -1.107
local terms energy: -284.126522
where:
bonds (distance) C4'-P energy: -57.005
bonds (distance) P-C4' energy: -64.240
flat angles C4'-P-C4' energy: -62.141
flat angles P-C4'-P energy: -35.448
tors. eta vs tors. theta energy: -65.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -686.708164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.708164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.708164 (E_RNA)
where:
Base-Base interactions energy: -407.261
where: short stacking energy: -196.189
Base-Backbone interact. energy: -2.318
local terms energy: -277.128977
where:
bonds (distance) C4'-P energy: -59.078
bonds (distance) P-C4' energy: -62.678
flat angles C4'-P-C4' energy: -65.558
flat angles P-C4'-P energy: -45.197
tors. eta vs tors. theta energy: -44.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -539.482857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.482857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.482857 (E_RNA)
where:
Base-Base interactions energy: -306.186
where: short stacking energy: -146.184
Base-Backbone interact. energy: -2.909
local terms energy: -230.387249
where:
bonds (distance) C4'-P energy: -65.617
bonds (distance) P-C4' energy: -59.043
flat angles C4'-P-C4' energy: -50.669
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -25.217
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: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -313.639238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.639238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.639238 (E_RNA)
where:
Base-Base interactions energy: -114.117
where: short stacking energy: -77.985
Base-Backbone interact. energy: -2.046
local terms energy: -197.476435
where:
bonds (distance) C4'-P energy: -53.979
bonds (distance) P-C4' energy: -69.493
flat angles C4'-P-C4' energy: -40.899
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -321.651395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.651395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.651395 (E_RNA)
where:
Base-Base interactions energy: -128.428
where: short stacking energy: -72.657
Base-Backbone interact. energy: -1.682
local terms energy: -191.541491
where:
bonds (distance) C4'-P energy: -66.189
bonds (distance) P-C4' energy: -59.388
flat angles C4'-P-C4' energy: -42.235
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: 9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -276.345712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.345712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.345712 (E_RNA)
where:
Base-Base interactions energy: -102.850
where: short stacking energy: -86.893
Base-Backbone interact. energy: 1.631
local terms energy: -175.125999
where:
bonds (distance) C4'-P energy: -53.335
bonds (distance) P-C4' energy: -61.523
flat angles C4'-P-C4' energy: -46.484
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: 11.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -258.467993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.467993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.467993 (E_RNA)
where:
Base-Base interactions energy: -98.976
where: short stacking energy: -69.136
Base-Backbone interact. energy: -1.806
local terms energy: -157.686138
where:
bonds (distance) C4'-P energy: -43.867
bonds (distance) P-C4' energy: -68.554
flat angles C4'-P-C4' energy: -44.147
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: 20.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -987.563668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.563668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.563668 (E_RNA)
where:
Base-Base interactions energy: -652.419
where: short stacking energy: -263.608
Base-Backbone interact. energy: -2.802
local terms energy: -332.342326
where:
bonds (distance) C4'-P energy: -63.268
bonds (distance) P-C4' energy: -74.984
flat angles C4'-P-C4' energy: -73.920
flat angles P-C4'-P energy: -44.029
tors. eta vs tors. theta energy: -76.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -892.878636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.878636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.878636 (E_RNA)
where:
Base-Base interactions energy: -573.826
where: short stacking energy: -253.116
Base-Backbone interact. energy: -3.460
local terms energy: -315.592943
where:
bonds (distance) C4'-P energy: -68.125
bonds (distance) P-C4' energy: -73.182
flat angles C4'-P-C4' energy: -59.217
flat angles P-C4'-P energy: -49.069
tors. eta vs tors. theta energy: -66.000
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: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -823.456460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.456460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.456460 (E_RNA)
where:
Base-Base interactions energy: -519.189
where: short stacking energy: -236.797
Base-Backbone interact. energy: -1.377
local terms energy: -302.891332
where:
bonds (distance) C4'-P energy: -58.886
bonds (distance) P-C4' energy: -63.680
flat angles C4'-P-C4' energy: -73.846
flat angles P-C4'-P energy: -47.656
tors. eta vs tors. theta energy: -58.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -840.512058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.512058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.512058 (E_RNA)
where:
Base-Base interactions energy: -543.164
where: short stacking energy: -218.436
Base-Backbone interact. energy: -0.643
local terms energy: -296.705424
where:
bonds (distance) C4'-P energy: -56.167
bonds (distance) P-C4' energy: -69.415
flat angles C4'-P-C4' energy: -70.410
flat angles P-C4'-P energy: -37.152
tors. eta vs tors. theta energy: -63.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -682.647764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.647764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.647764 (E_RNA)
where:
Base-Base interactions energy: -390.162
where: short stacking energy: -194.370
Base-Backbone interact. energy: -0.407
local terms energy: -292.078616
where:
bonds (distance) C4'-P energy: -63.384
bonds (distance) P-C4' energy: -67.316
flat angles C4'-P-C4' energy: -62.652
flat angles P-C4'-P energy: -48.425
tors. eta vs tors. theta energy: -50.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -528.972119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.972119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.972119 (E_RNA)
where:
Base-Base interactions energy: -289.072
where: short stacking energy: -129.279
Base-Backbone interact. energy: 0.597
local terms energy: -240.497591
where:
bonds (distance) C4'-P energy: -75.931
bonds (distance) P-C4' energy: -56.666
flat angles C4'-P-C4' energy: -60.808
flat angles P-C4'-P energy: -32.313
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -307.841851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.841851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.841851 (E_RNA)
where:
Base-Base interactions energy: -115.884
where: short stacking energy: -76.559
Base-Backbone interact. energy: 4.457
local terms energy: -196.414902
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -65.397
flat angles C4'-P-C4' energy: -53.689
flat angles P-C4'-P energy: -33.053
tors. eta vs tors. theta energy: 9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -349.069827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.069827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.069827 (E_RNA)
where:
Base-Base interactions energy: -146.177
where: short stacking energy: -84.642
Base-Backbone interact. energy: 2.007
local terms energy: -204.899809
where:
bonds (distance) C4'-P energy: -57.365
bonds (distance) P-C4' energy: -62.043
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -47.058
tors. eta vs tors. theta energy: 9.595
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: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -308.792538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.792538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.792538 (E_RNA)
where:
Base-Base interactions energy: -118.708
where: short stacking energy: -74.608
Base-Backbone interact. energy: -0.595
local terms energy: -189.489954
where:
bonds (distance) C4'-P energy: -48.230
bonds (distance) P-C4' energy: -57.141
flat angles C4'-P-C4' energy: -52.557
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -273.717928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.717928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.717928 (E_RNA)
where:
Base-Base interactions energy: -80.251
where: short stacking energy: -80.251
Base-Backbone interact. energy: -0.989
local terms energy: -192.477986
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -65.073
flat angles C4'-P-C4' energy: -46.016
flat angles P-C4'-P energy: -27.514
tors. eta vs tors. theta energy: 4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -983.343218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.343218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.343218 (E_RNA)
where:
Base-Base interactions energy: -637.549
where: short stacking energy: -285.684
Base-Backbone interact. energy: -1.151
local terms energy: -344.643419
where:
bonds (distance) C4'-P energy: -70.185
bonds (distance) P-C4' energy: -69.814
flat angles C4'-P-C4' energy: -73.510
flat angles P-C4'-P energy: -53.603
tors. eta vs tors. theta energy: -77.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -880.481005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.481005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.481005 (E_RNA)
where:
Base-Base interactions energy: -562.246
where: short stacking energy: -244.724
Base-Backbone interact. energy: 0.247
local terms energy: -318.482044
where:
bonds (distance) C4'-P energy: -63.112
bonds (distance) P-C4' energy: -77.642
flat angles C4'-P-C4' energy: -75.683
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: -60.504
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: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -779.496772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.496772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.496772 (E_RNA)
where:
Base-Base interactions energy: -495.107
where: short stacking energy: -234.633
Base-Backbone interact. energy: -1.517
local terms energy: -282.872936
where:
bonds (distance) C4'-P energy: -56.885
bonds (distance) P-C4' energy: -52.081
flat angles C4'-P-C4' energy: -67.456
flat angles P-C4'-P energy: -47.440
tors. eta vs tors. theta energy: -59.012
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: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -782.487291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.487291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.487291 (E_RNA)
where:
Base-Base interactions energy: -487.195
where: short stacking energy: -204.770
Base-Backbone interact. energy: -0.789
local terms energy: -294.502608
where:
bonds (distance) C4'-P energy: -60.946
bonds (distance) P-C4' energy: -61.628
flat angles C4'-P-C4' energy: -73.485
flat angles P-C4'-P energy: -41.070
tors. eta vs tors. theta energy: -57.374
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: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -644.889444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.889444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.889444 (E_RNA)
where:
Base-Base interactions energy: -379.969
where: short stacking energy: -172.287
Base-Backbone interact. energy: -1.544
local terms energy: -263.375627
where:
bonds (distance) C4'-P energy: -57.786
bonds (distance) P-C4' energy: -59.661
flat angles C4'-P-C4' energy: -65.569
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -39.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -571.984929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.984929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.984929 (E_RNA)
where:
Base-Base interactions energy: -335.522
where: short stacking energy: -167.393
Base-Backbone interact. energy: 0.258
local terms energy: -236.721532
where:
bonds (distance) C4'-P energy: -45.763
bonds (distance) P-C4' energy: -63.213
flat angles C4'-P-C4' energy: -64.418
flat angles P-C4'-P energy: -29.851
tors. eta vs tors. theta energy: -33.477
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -317.035992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.035992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.035992 (E_RNA)
where:
Base-Base interactions energy: -115.805
where: short stacking energy: -84.021
Base-Backbone interact. energy: 0.834
local terms energy: -202.065286
where:
bonds (distance) C4'-P energy: -54.574
bonds (distance) P-C4' energy: -58.789
flat angles C4'-P-C4' energy: -53.740
flat angles P-C4'-P energy: -31.318
tors. eta vs tors. theta energy: -3.645
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: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -309.225943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.225943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.225943 (E_RNA)
where:
Base-Base interactions energy: -121.515
where: short stacking energy: -72.861
Base-Backbone interact. energy: 0.821
local terms energy: -189.205105
where:
bonds (distance) C4'-P energy: -54.291
bonds (distance) P-C4' energy: -73.063
flat angles C4'-P-C4' energy: -41.103
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: 4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.673 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -280.252116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.252116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.252116 (E_RNA)
where:
Base-Base interactions energy: -117.272
where: short stacking energy: -77.824
Base-Backbone interact. energy: -1.111
local terms energy: -163.285809
where:
bonds (distance) C4'-P energy: -53.412
bonds (distance) P-C4' energy: -60.718
flat angles C4'-P-C4' energy: -37.274
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: 10.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.417 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -249.027196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.027196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.027196 (E_RNA)
where:
Base-Base interactions energy: -88.374
where: short stacking energy: -63.382
Base-Backbone interact. energy: -2.826
local terms energy: -157.827098
where:
bonds (distance) C4'-P energy: -44.358
bonds (distance) P-C4' energy: -56.784
flat angles C4'-P-C4' energy: -43.244
flat angles P-C4'-P energy: -33.324
tors. eta vs tors. theta energy: 19.883
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: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -997.016183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.016183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.016183 (E_RNA)
where:
Base-Base interactions energy: -654.678
where: short stacking energy: -274.783
Base-Backbone interact. energy: 0.120
local terms energy: -342.458165
where:
bonds (distance) C4'-P energy: -66.391
bonds (distance) P-C4' energy: -74.072
flat angles C4'-P-C4' energy: -69.690
flat angles P-C4'-P energy: -55.013
tors. eta vs tors. theta energy: -77.292
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: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -888.567102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.567102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.567102 (E_RNA)
where:
Base-Base interactions energy: -555.989
where: short stacking energy: -250.549
Base-Backbone interact. energy: -0.560
local terms energy: -332.018227
where:
bonds (distance) C4'-P energy: -65.668
bonds (distance) P-C4' energy: -70.769
flat angles C4'-P-C4' energy: -70.007
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -80.439
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: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -810.136391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.136391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.136391 (E_RNA)
where:
Base-Base interactions energy: -517.115
where: short stacking energy: -237.671
Base-Backbone interact. energy: 0.698
local terms energy: -293.719546
where:
bonds (distance) C4'-P energy: -52.164
bonds (distance) P-C4' energy: -57.987
flat angles C4'-P-C4' energy: -75.782
flat angles P-C4'-P energy: -40.889
tors. eta vs tors. theta energy: -66.898
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: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -755.966000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.966000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.966000 (E_RNA)
where:
Base-Base interactions energy: -485.275
where: short stacking energy: -219.432
Base-Backbone interact. energy: -1.263
local terms energy: -269.428125
where:
bonds (distance) C4'-P energy: -55.770
bonds (distance) P-C4' energy: -57.710
flat angles C4'-P-C4' energy: -64.608
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: -53.386
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: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -653.359718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.359718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.359718 (E_RNA)
where:
Base-Base interactions energy: -378.956
where: short stacking energy: -169.047
Base-Backbone interact. energy: 0.601
local terms energy: -275.004818
where:
bonds (distance) C4'-P energy: -65.623
bonds (distance) P-C4' energy: -65.689
flat angles C4'-P-C4' energy: -57.755
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -575.258496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.258496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.258496 (E_RNA)
where:
Base-Base interactions energy: -322.248
where: short stacking energy: -145.270
Base-Backbone interact. energy: -1.314
local terms energy: -251.696298
where:
bonds (distance) C4'-P energy: -56.534
bonds (distance) P-C4' energy: -66.753
flat angles C4'-P-C4' energy: -52.301
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -39.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -326.650399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.650399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.650399 (E_RNA)
where:
Base-Base interactions energy: -115.892
where: short stacking energy: -65.681
Base-Backbone interact. energy: 1.123
local terms energy: -211.881648
where:
bonds (distance) C4'-P energy: -64.485
bonds (distance) P-C4' energy: -57.510
flat angles C4'-P-C4' energy: -61.841
flat angles P-C4'-P energy: -31.504
tors. eta vs tors. theta energy: 3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -298.679087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.679087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.679087 (E_RNA)
where:
Base-Base interactions energy: -85.998
where: short stacking energy: -65.989
Base-Backbone interact. energy: -1.249
local terms energy: -211.432261
where:
bonds (distance) C4'-P energy: -54.442
bonds (distance) P-C4' energy: -63.185
flat angles C4'-P-C4' energy: -68.170
flat angles P-C4'-P energy: -33.072
tors. eta vs tors. theta energy: 7.437
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: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -288.610600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.610600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.610600 (E_RNA)
where:
Base-Base interactions energy: -85.336
where: short stacking energy: -76.017
Base-Backbone interact. energy: -0.585
local terms energy: -202.689542
where:
bonds (distance) C4'-P energy: -48.024
bonds (distance) P-C4' energy: -61.833
flat angles C4'-P-C4' energy: -63.873
flat angles P-C4'-P energy: -33.409
tors. eta vs tors. theta energy: 4.450
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: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -263.487794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.487794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.487794 (E_RNA)
where:
Base-Base interactions energy: -107.312
where: short stacking energy: -67.782
Base-Backbone interact. energy: -0.501
local terms energy: -155.675029
where:
bonds (distance) C4'-P energy: -55.589
bonds (distance) P-C4' energy: -66.248
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -25.373
tors. eta vs tors. theta energy: 24.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -988.516960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.516960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.516960 (E_RNA)
where:
Base-Base interactions energy: -646.576
where: short stacking energy: -291.643
Base-Backbone interact. energy: -1.743
local terms energy: -340.197620
where:
bonds (distance) C4'-P energy: -69.341
bonds (distance) P-C4' energy: -67.018
flat angles C4'-P-C4' energy: -71.356
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -90.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -876.372488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.372488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.372488 (E_RNA)
where:
Base-Base interactions energy: -566.083
where: short stacking energy: -256.151
Base-Backbone interact. energy: -1.156
local terms energy: -309.133553
where:
bonds (distance) C4'-P energy: -43.878
bonds (distance) P-C4' energy: -67.906
flat angles C4'-P-C4' energy: -73.058
flat angles P-C4'-P energy: -56.243
tors. eta vs tors. theta energy: -68.047
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: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -847.063387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.063387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.063387 (E_RNA)
where:
Base-Base interactions energy: -537.202
where: short stacking energy: -230.561
Base-Backbone interact. energy: -0.311
local terms energy: -309.550347
where:
bonds (distance) C4'-P energy: -53.986
bonds (distance) P-C4' energy: -71.114
flat angles C4'-P-C4' energy: -81.022
flat angles P-C4'-P energy: -33.623
tors. eta vs tors. theta energy: -69.806
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: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -759.495943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.495943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.495943 (E_RNA)
where:
Base-Base interactions energy: -474.666
where: short stacking energy: -215.591
Base-Backbone interact. energy: -0.364
local terms energy: -284.466286
where:
bonds (distance) C4'-P energy: -71.233
bonds (distance) P-C4' energy: -67.036
flat angles C4'-P-C4' energy: -52.058
flat angles P-C4'-P energy: -35.060
tors. eta vs tors. theta energy: -59.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -628.284046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.284046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.284046 (E_RNA)
where:
Base-Base interactions energy: -363.846
where: short stacking energy: -174.890
Base-Backbone interact. energy: 0.184
local terms energy: -264.621991
where:
bonds (distance) C4'-P energy: -73.500
bonds (distance) P-C4' energy: -43.567
flat angles C4'-P-C4' energy: -60.211
flat angles P-C4'-P energy: -43.245
tors. eta vs tors. theta energy: -44.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -579.197467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.197467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.197467 (E_RNA)
where:
Base-Base interactions energy: -321.018
where: short stacking energy: -155.984
Base-Backbone interact. energy: -0.056
local terms energy: -258.123396
where:
bonds (distance) C4'-P energy: -59.463
bonds (distance) P-C4' energy: -66.583
flat angles C4'-P-C4' energy: -57.513
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: -35.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -322.785666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.785666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.785666 (E_RNA)
where:
Base-Base interactions energy: -97.759
where: short stacking energy: -86.088
Base-Backbone interact. energy: -0.823
local terms energy: -224.204062
where:
bonds (distance) C4'-P energy: -56.156
bonds (distance) P-C4' energy: -64.845
flat angles C4'-P-C4' energy: -56.229
flat angles P-C4'-P energy: -31.011
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: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -327.284933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.284933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.284933 (E_RNA)
where:
Base-Base interactions energy: -130.497
where: short stacking energy: -91.588
Base-Backbone interact. energy: -0.201
local terms energy: -196.704697
where:
bonds (distance) C4'-P energy: -51.256
bonds (distance) P-C4' energy: -59.266
flat angles C4'-P-C4' energy: -65.795
flat angles P-C4'-P energy: -30.544
tors. eta vs tors. theta energy: 10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.118 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -311.130489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.130489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.130489 (E_RNA)
where:
Base-Base interactions energy: -111.000
where: short stacking energy: -94.352
Base-Backbone interact. energy: -0.749
local terms energy: -199.381135
where:
bonds (distance) C4'-P energy: -49.841
bonds (distance) P-C4' energy: -73.906
flat angles C4'-P-C4' energy: -34.911
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -296.773177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.773177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.773177 (E_RNA)
where:
Base-Base interactions energy: -100.381
where: short stacking energy: -65.318
Base-Backbone interact. energy: -1.642
local terms energy: -194.750145
where:
bonds (distance) C4'-P energy: -45.007
bonds (distance) P-C4' energy: -64.227
flat angles C4'-P-C4' energy: -53.101
flat angles P-C4'-P energy: -43.485
tors. eta vs tors. theta energy: 11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -982.255315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.255315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.255315 (E_RNA)
where:
Base-Base interactions energy: -654.944
where: short stacking energy: -250.076
Base-Backbone interact. energy: -0.099
local terms energy: -327.211959
where:
bonds (distance) C4'-P energy: -74.072
bonds (distance) P-C4' energy: -68.172
flat angles C4'-P-C4' energy: -70.470
flat angles P-C4'-P energy: -44.743
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: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -901.651617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.651617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.651617 (E_RNA)
where:
Base-Base interactions energy: -590.551
where: short stacking energy: -255.151
Base-Backbone interact. energy: -1.421
local terms energy: -309.679762
where:
bonds (distance) C4'-P energy: -60.799
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -71.352
flat angles P-C4'-P energy: -35.382
tors. eta vs tors. theta energy: -74.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -878.362791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.362791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.362791 (E_RNA)
where:
Base-Base interactions energy: -571.544
where: short stacking energy: -260.309
Base-Backbone interact. energy: 0.300
local terms energy: -307.118436
where:
bonds (distance) C4'-P energy: -59.434
bonds (distance) P-C4' energy: -70.097
flat angles C4'-P-C4' energy: -61.718
flat angles P-C4'-P energy: -44.221
tors. eta vs tors. theta energy: -71.648
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: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -773.198257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.198257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.198257 (E_RNA)
where:
Base-Base interactions energy: -487.273
where: short stacking energy: -224.769
Base-Backbone interact. energy: -1.881
local terms energy: -284.043553
where:
bonds (distance) C4'-P energy: -67.725
bonds (distance) P-C4' energy: -56.515
flat angles C4'-P-C4' energy: -71.161
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -52.135
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: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -609.078072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.078072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.078072 (E_RNA)
where:
Base-Base interactions energy: -353.131
where: short stacking energy: -155.891
Base-Backbone interact. energy: -0.715
local terms energy: -255.231955
where:
bonds (distance) C4'-P energy: -61.911
bonds (distance) P-C4' energy: -61.982
flat angles C4'-P-C4' energy: -61.452
flat angles P-C4'-P energy: -39.676
tors. eta vs tors. theta energy: -30.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -568.313807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.313807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.313807 (E_RNA)
where:
Base-Base interactions energy: -307.407
where: short stacking energy: -143.344
Base-Backbone interact. energy: -1.759
local terms energy: -259.147768
where:
bonds (distance) C4'-P energy: -62.975
bonds (distance) P-C4' energy: -64.097
flat angles C4'-P-C4' energy: -66.597
flat angles P-C4'-P energy: -31.693
tors. eta vs tors. theta energy: -33.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -350.623761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.623761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.623761 (E_RNA)
where:
Base-Base interactions energy: -159.415
where: short stacking energy: -96.677
Base-Backbone interact. energy: 1.157
local terms energy: -192.366200
where:
bonds (distance) C4'-P energy: -53.161
bonds (distance) P-C4' energy: -59.887
flat angles C4'-P-C4' energy: -51.993
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -319.314789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.314789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.314789 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -69.117
Base-Backbone interact. energy: -2.553
local terms energy: -182.890816
where:
bonds (distance) C4'-P energy: -54.005
bonds (distance) P-C4' energy: -63.158
flat angles C4'-P-C4' energy: -47.368
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: 6.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -284.274500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.274500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.274500 (E_RNA)
where:
Base-Base interactions energy: -110.254
where: short stacking energy: -65.881
Base-Backbone interact. energy: 2.250
local terms energy: -176.269707
where:
bonds (distance) C4'-P energy: -43.208
bonds (distance) P-C4' energy: -50.524
flat angles C4'-P-C4' energy: -53.706
flat angles P-C4'-P energy: -36.942
tors. eta vs tors. theta energy: 8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -244.890242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.890242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.890242 (E_RNA)
where:
Base-Base interactions energy: -75.541
where: short stacking energy: -66.538
Base-Backbone interact. energy: -1.680
local terms energy: -169.312283
where:
bonds (distance) C4'-P energy: -61.353
bonds (distance) P-C4' energy: -65.419
flat angles C4'-P-C4' energy: -43.386
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: 21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.643 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -981.333620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.333620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.333620 (E_RNA)
where:
Base-Base interactions energy: -656.172
where: short stacking energy: -265.994
Base-Backbone interact. energy: -0.683
local terms energy: -324.479179
where:
bonds (distance) C4'-P energy: -67.295
bonds (distance) P-C4' energy: -70.133
flat angles C4'-P-C4' energy: -70.176
flat angles P-C4'-P energy: -46.457
tors. eta vs tors. theta energy: -70.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -884.852630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.852630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.852630 (E_RNA)
where:
Base-Base interactions energy: -552.710
where: short stacking energy: -227.225
Base-Backbone interact. energy: -1.196
local terms energy: -330.946627
where:
bonds (distance) C4'-P energy: -65.356
bonds (distance) P-C4' energy: -67.772
flat angles C4'-P-C4' energy: -79.608
flat angles P-C4'-P energy: -51.889
tors. eta vs tors. theta energy: -66.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -833.490308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.490308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.490308 (E_RNA)
where:
Base-Base interactions energy: -556.634
where: short stacking energy: -229.509
Base-Backbone interact. energy: -0.928
local terms energy: -275.928214
where:
bonds (distance) C4'-P energy: -56.326
bonds (distance) P-C4' energy: -58.645
flat angles C4'-P-C4' energy: -60.935
flat angles P-C4'-P energy: -40.884
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: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -741.402470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.402470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.402470 (E_RNA)
where:
Base-Base interactions energy: -459.748
where: short stacking energy: -192.012
Base-Backbone interact. energy: -1.088
local terms energy: -280.567192
where:
bonds (distance) C4'-P energy: -63.337
bonds (distance) P-C4' energy: -60.935
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -42.084
tors. eta vs tors. theta energy: -55.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -611.488668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.488668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.488668 (E_RNA)
where:
Base-Base interactions energy: -360.499
where: short stacking energy: -153.432
Base-Backbone interact. energy: -4.290
local terms energy: -246.699618
where:
bonds (distance) C4'-P energy: -57.300
bonds (distance) P-C4' energy: -52.953
flat angles C4'-P-C4' energy: -70.473
flat angles P-C4'-P energy: -34.404
tors. eta vs tors. theta energy: -31.569
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: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -582.083901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.083901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.083901 (E_RNA)
where:
Base-Base interactions energy: -340.514
where: short stacking energy: -152.114
Base-Backbone interact. energy: -1.971
local terms energy: -239.599131
where:
bonds (distance) C4'-P energy: -56.860
bonds (distance) P-C4' energy: -51.124
flat angles C4'-P-C4' energy: -68.301
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -24.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -379.477946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.477946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.477946 (E_RNA)
where:
Base-Base interactions energy: -158.561
where: short stacking energy: -99.974
Base-Backbone interact. energy: -0.828
local terms energy: -220.089102
where:
bonds (distance) C4'-P energy: -39.428
bonds (distance) P-C4' energy: -66.872
flat angles C4'-P-C4' energy: -55.995
flat angles P-C4'-P energy: -47.709
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -305.687218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.687218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.687218 (E_RNA)
where:
Base-Base interactions energy: -97.336
where: short stacking energy: -86.375
Base-Backbone interact. energy: -2.949
local terms energy: -205.401805
where:
bonds (distance) C4'-P energy: -59.367
bonds (distance) P-C4' energy: -58.889
flat angles C4'-P-C4' energy: -56.983
flat angles P-C4'-P energy: -28.344
tors. eta vs tors. theta energy: -1.819
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: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -316.526201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.526201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.526201 (E_RNA)
where:
Base-Base interactions energy: -144.031
where: short stacking energy: -80.665
Base-Backbone interact. energy: 0.806
local terms energy: -173.301652
where:
bonds (distance) C4'-P energy: -60.164
bonds (distance) P-C4' energy: -60.386
flat angles C4'-P-C4' energy: -47.267
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: 16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -259.692864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.692864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.692864 (E_RNA)
where:
Base-Base interactions energy: -76.904
where: short stacking energy: -48.973
Base-Backbone interact. energy: 3.618
local terms energy: -186.406973
where:
bonds (distance) C4'-P energy: -52.823
bonds (distance) P-C4' energy: -60.907
flat angles C4'-P-C4' energy: -54.528
flat angles P-C4'-P energy: -27.563
tors. eta vs tors. theta energy: 9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -960.769945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.769945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.769945 (E_RNA)
where:
Base-Base interactions energy: -632.830
where: short stacking energy: -241.964
Base-Backbone interact. energy: -1.542
local terms energy: -326.397711
where:
bonds (distance) C4'-P energy: -71.647
bonds (distance) P-C4' energy: -73.415
flat angles C4'-P-C4' energy: -66.912
flat angles P-C4'-P energy: -45.058
tors. eta vs tors. theta energy: -69.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -894.803319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.803319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.803319 (E_RNA)
where:
Base-Base interactions energy: -558.931
where: short stacking energy: -247.471
Base-Backbone interact. energy: -2.191
local terms energy: -333.682031
where:
bonds (distance) C4'-P energy: -65.290
bonds (distance) P-C4' energy: -70.192
flat angles C4'-P-C4' energy: -79.550
flat angles P-C4'-P energy: -42.644
tors. eta vs tors. theta energy: -76.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -821.338836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.338836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.338836 (E_RNA)
where:
Base-Base interactions energy: -514.134
where: short stacking energy: -223.401
Base-Backbone interact. energy: -2.739
local terms energy: -304.466149
where:
bonds (distance) C4'-P energy: -65.698
bonds (distance) P-C4' energy: -60.668
flat angles C4'-P-C4' energy: -69.014
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -62.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -790.534671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.534671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.534671 (E_RNA)
where:
Base-Base interactions energy: -504.140
where: short stacking energy: -225.900
Base-Backbone interact. energy: -1.016
local terms energy: -285.379427
where:
bonds (distance) C4'-P energy: -63.604
bonds (distance) P-C4' energy: -60.908
flat angles C4'-P-C4' energy: -64.953
flat angles P-C4'-P energy: -36.348
tors. eta vs tors. theta energy: -59.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.001 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -698.597013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.597013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.597013 (E_RNA)
where:
Base-Base interactions energy: -416.575
where: short stacking energy: -191.542
Base-Backbone interact. energy: 0.990
local terms energy: -283.011486
where:
bonds (distance) C4'-P energy: -62.456
bonds (distance) P-C4' energy: -70.024
flat angles C4'-P-C4' energy: -59.204
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -53.101
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: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -534.591334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.591334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.591334 (E_RNA)
where:
Base-Base interactions energy: -304.219
where: short stacking energy: -134.832
Base-Backbone interact. energy: -1.685
local terms energy: -228.687389
where:
bonds (distance) C4'-P energy: -58.497
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -61.705
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: -19.110
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: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -377.151667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.151667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.151667 (E_RNA)
where:
Base-Base interactions energy: -143.722
where: short stacking energy: -91.949
Base-Backbone interact. energy: -1.371
local terms energy: -232.057927
where:
bonds (distance) C4'-P energy: -62.606
bonds (distance) P-C4' energy: -66.234
flat angles C4'-P-C4' energy: -61.614
flat angles P-C4'-P energy: -34.015
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -331.013341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.013341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.013341 (E_RNA)
where:
Base-Base interactions energy: -112.633
where: short stacking energy: -82.091
Base-Backbone interact. energy: 3.424
local terms energy: -221.804529
where:
bonds (distance) C4'-P energy: -62.771
bonds (distance) P-C4' energy: -64.929
flat angles C4'-P-C4' energy: -59.316
flat angles P-C4'-P energy: -34.820
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: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -274.516180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.516180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.516180 (E_RNA)
where:
Base-Base interactions energy: -64.748
where: short stacking energy: -51.365
Base-Backbone interact. energy: -1.153
local terms energy: -208.614553
where:
bonds (distance) C4'-P energy: -65.456
bonds (distance) P-C4' energy: -68.225
flat angles C4'-P-C4' energy: -51.560
flat angles P-C4'-P energy: -32.744
tors. eta vs tors. theta energy: 9.369
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: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -245.943743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.943743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.943743 (E_RNA)
where:
Base-Base interactions energy: -65.720
where: short stacking energy: -41.733
Base-Backbone interact. energy: -1.531
local terms energy: -178.692842
where:
bonds (distance) C4'-P energy: -58.550
bonds (distance) P-C4' energy: -59.293
flat angles C4'-P-C4' energy: -39.513
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: 19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -964.838272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.838272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.838272 (E_RNA)
where:
Base-Base interactions energy: -649.111
where: short stacking energy: -253.016
Base-Backbone interact. energy: 0.186
local terms energy: -315.913105
where:
bonds (distance) C4'-P energy: -67.890
bonds (distance) P-C4' energy: -67.071
flat angles C4'-P-C4' energy: -68.838
flat angles P-C4'-P energy: -45.631
tors. eta vs tors. theta energy: -66.483
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: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -895.718363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.718363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.718363 (E_RNA)
where:
Base-Base interactions energy: -587.299
where: short stacking energy: -279.057
Base-Backbone interact. energy: 0.894
local terms energy: -309.312829
where:
bonds (distance) C4'-P energy: -56.265
bonds (distance) P-C4' energy: -65.017
flat angles C4'-P-C4' energy: -62.687
flat angles P-C4'-P energy: -40.003
tors. eta vs tors. theta energy: -85.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -844.129821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.129821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.129821 (E_RNA)
where:
Base-Base interactions energy: -555.682
where: short stacking energy: -249.473
Base-Backbone interact. energy: -1.820
local terms energy: -286.627512
where:
bonds (distance) C4'-P energy: -59.279
bonds (distance) P-C4' energy: -52.890
flat angles C4'-P-C4' energy: -64.545
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: -65.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -759.515729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.515729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.515729 (E_RNA)
where:
Base-Base interactions energy: -471.891
where: short stacking energy: -214.746
Base-Backbone interact. energy: -2.041
local terms energy: -285.583710
where:
bonds (distance) C4'-P energy: -58.852
bonds (distance) P-C4' energy: -55.582
flat angles C4'-P-C4' energy: -69.837
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: -57.837
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: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -691.256153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.256153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.256153 (E_RNA)
where:
Base-Base interactions energy: -426.441
where: short stacking energy: -192.759
Base-Backbone interact. energy: -0.693
local terms energy: -264.122882
where:
bonds (distance) C4'-P energy: -67.418
bonds (distance) P-C4' energy: -56.534
flat angles C4'-P-C4' energy: -52.862
flat angles P-C4'-P energy: -40.996
tors. eta vs tors. theta energy: -46.313
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: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -550.413123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.413123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.413123 (E_RNA)
where:
Base-Base interactions energy: -318.301
where: short stacking energy: -145.118
Base-Backbone interact. energy: -2.497
local terms energy: -229.615121
where:
bonds (distance) C4'-P energy: -50.967
bonds (distance) P-C4' energy: -65.670
flat angles C4'-P-C4' energy: -56.624
flat angles P-C4'-P energy: -33.502
tors. eta vs tors. theta energy: -22.851
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: 51
Temperature: 1.200000
Total energy: -392.833547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.833547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.833547 (E_RNA)
where:
Base-Base interactions energy: -183.792
where: short stacking energy: -102.409
Base-Backbone interact. energy: 1.268
local terms energy: -210.309325
where:
bonds (distance) C4'-P energy: -61.252
bonds (distance) P-C4' energy: -60.857
flat angles C4'-P-C4' energy: -56.791
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -295.803104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.803104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.803104 (E_RNA)
where:
Base-Base interactions energy: -87.610
where: short stacking energy: -62.294
Base-Backbone interact. energy: -0.501
local terms energy: -207.692448
where:
bonds (distance) C4'-P energy: -63.497
bonds (distance) P-C4' energy: -56.685
flat angles C4'-P-C4' energy: -65.893
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: 6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -309.004028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.004028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.004028 (E_RNA)
where:
Base-Base interactions energy: -119.585
where: short stacking energy: -87.058
Base-Backbone interact. energy: 4.975
local terms energy: -194.394049
where:
bonds (distance) C4'-P energy: -54.489
bonds (distance) P-C4' energy: -46.677
flat angles C4'-P-C4' energy: -53.450
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -247.406983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.406983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.406983 (E_RNA)
where:
Base-Base interactions energy: -92.787
where: short stacking energy: -81.068
Base-Backbone interact. energy: 0.221
local terms energy: -154.840920
where:
bonds (distance) C4'-P energy: -37.549
bonds (distance) P-C4' energy: -63.616
flat angles C4'-P-C4' energy: -42.720
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: 12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -973.957772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.957772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.957772 (E_RNA)
where:
Base-Base interactions energy: -662.325
where: short stacking energy: -274.994
Base-Backbone interact. energy: -0.622
local terms energy: -311.011031
where:
bonds (distance) C4'-P energy: -67.382
bonds (distance) P-C4' energy: -59.497
flat angles C4'-P-C4' energy: -71.014
flat angles P-C4'-P energy: -46.726
tors. eta vs tors. theta energy: -66.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -909.470863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.470863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.470863 (E_RNA)
where:
Base-Base interactions energy: -589.796
where: short stacking energy: -254.482
Base-Backbone interact. energy: -0.545
local terms energy: -319.129512
where:
bonds (distance) C4'-P energy: -49.088
bonds (distance) P-C4' energy: -68.216
flat angles C4'-P-C4' energy: -74.522
flat angles P-C4'-P energy: -47.348
tors. eta vs tors. theta energy: -79.956
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: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -821.347146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.347146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.347146 (E_RNA)
where:
Base-Base interactions energy: -531.665
where: short stacking energy: -240.863
Base-Backbone interact. energy: 1.631
local terms energy: -291.313158
where:
bonds (distance) C4'-P energy: -56.229
bonds (distance) P-C4' energy: -57.407
flat angles C4'-P-C4' energy: -61.959
flat angles P-C4'-P energy: -49.785
tors. eta vs tors. theta energy: -65.934
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: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -789.821928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.821928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.821928 (E_RNA)
where:
Base-Base interactions energy: -497.771
where: short stacking energy: -227.372
Base-Backbone interact. energy: 1.688
local terms energy: -293.739082
where:
bonds (distance) C4'-P energy: -61.682
bonds (distance) P-C4' energy: -71.637
flat angles C4'-P-C4' energy: -64.124
flat angles P-C4'-P energy: -34.329
tors. eta vs tors. theta energy: -61.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -690.675438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.675438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.675438 (E_RNA)
where:
Base-Base interactions energy: -403.851
where: short stacking energy: -180.074
Base-Backbone interact. energy: -0.459
local terms energy: -286.365538
where:
bonds (distance) C4'-P energy: -68.237
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -64.307
flat angles P-C4'-P energy: -45.970
tors. eta vs tors. theta energy: -55.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -570.538576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.538576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.538576 (E_RNA)
where:
Base-Base interactions energy: -330.340
where: short stacking energy: -162.080
Base-Backbone interact. energy: 0.548
local terms energy: -240.745850
where:
bonds (distance) C4'-P energy: -62.414
bonds (distance) P-C4' energy: -64.017
flat angles C4'-P-C4' energy: -62.591
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -29.220
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: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -431.400959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.400959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.400959 (E_RNA)
where:
Base-Base interactions energy: -193.077
where: short stacking energy: -124.236
Base-Backbone interact. energy: -0.567
local terms energy: -237.756953
where:
bonds (distance) C4'-P energy: -60.905
bonds (distance) P-C4' energy: -70.662
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -39.018
tors. eta vs tors. theta energy: -14.577
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: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -304.974367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.974367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.974367 (E_RNA)
where:
Base-Base interactions energy: -115.717
where: short stacking energy: -80.137
Base-Backbone interact. energy: -2.418
local terms energy: -186.839446
where:
bonds (distance) C4'-P energy: -46.282
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -50.168
flat angles P-C4'-P energy: -46.622
tors. eta vs tors. theta energy: 9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -270.251685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.251685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.251685 (E_RNA)
where:
Base-Base interactions energy: -79.784
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.746
local terms energy: -189.721581
where:
bonds (distance) C4'-P energy: -58.849
bonds (distance) P-C4' energy: -55.138
flat angles C4'-P-C4' energy: -50.280
flat angles P-C4'-P energy: -23.364
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -253.065226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.065226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.065226 (E_RNA)
where:
Base-Base interactions energy: -96.726
where: short stacking energy: -58.231
Base-Backbone interact. energy: 2.303
local terms energy: -158.642475
where:
bonds (distance) C4'-P energy: -49.438
bonds (distance) P-C4' energy: -49.849
flat angles C4'-P-C4' energy: -44.625
flat angles P-C4'-P energy: -30.253
tors. eta vs tors. theta energy: 15.523
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: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -995.607827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.607827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.607827 (E_RNA)
where:
Base-Base interactions energy: -668.975
where: short stacking energy: -287.756
Base-Backbone interact. energy: 0.108
local terms energy: -326.741749
where:
bonds (distance) C4'-P energy: -59.796
bonds (distance) P-C4' energy: -65.872
flat angles C4'-P-C4' energy: -74.638
flat angles P-C4'-P energy: -49.865
tors. eta vs tors. theta energy: -76.571
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: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -910.930992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.930992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.930992 (E_RNA)
where:
Base-Base interactions energy: -595.700
where: short stacking energy: -259.803
Base-Backbone interact. energy: 3.151
local terms energy: -318.382480
where:
bonds (distance) C4'-P energy: -63.497
bonds (distance) P-C4' energy: -59.775
flat angles C4'-P-C4' energy: -71.655
flat angles P-C4'-P energy: -45.114
tors. eta vs tors. theta energy: -78.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -819.704037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.704037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.704037 (E_RNA)
where:
Base-Base interactions energy: -530.034
where: short stacking energy: -232.368
Base-Backbone interact. energy: 1.584
local terms energy: -291.254116
where:
bonds (distance) C4'-P energy: -62.640
bonds (distance) P-C4' energy: -52.712
flat angles C4'-P-C4' energy: -69.707
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -62.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -795.731811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.731811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.731811 (E_RNA)
where:
Base-Base interactions energy: -509.757
where: short stacking energy: -221.621
Base-Backbone interact. energy: -0.396
local terms energy: -285.578688
where:
bonds (distance) C4'-P energy: -56.508
bonds (distance) P-C4' energy: -63.956
flat angles C4'-P-C4' energy: -68.594
flat angles P-C4'-P energy: -33.944
tors. eta vs tors. theta energy: -62.577
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: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -642.771431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.771431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.771431 (E_RNA)
where:
Base-Base interactions energy: -389.077
where: short stacking energy: -166.682
Base-Backbone interact. energy: -1.046
local terms energy: -252.647927
where:
bonds (distance) C4'-P energy: -62.974
bonds (distance) P-C4' energy: -61.881
flat angles C4'-P-C4' energy: -61.003
flat angles P-C4'-P energy: -31.191
tors. eta vs tors. theta energy: -35.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -556.954461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.954461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.954461 (E_RNA)
where:
Base-Base interactions energy: -315.571
where: short stacking energy: -159.947
Base-Backbone interact. energy: -1.308
local terms energy: -240.074920
where:
bonds (distance) C4'-P energy: -62.845
bonds (distance) P-C4' energy: -59.008
flat angles C4'-P-C4' energy: -55.177
flat angles P-C4'-P energy: -35.331
tors. eta vs tors. theta energy: -27.714
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: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -415.519627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.519627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.519627 (E_RNA)
where:
Base-Base interactions energy: -208.724
where: short stacking energy: -132.798
Base-Backbone interact. energy: -0.818
local terms energy: -205.977143
where:
bonds (distance) C4'-P energy: -50.729
bonds (distance) P-C4' energy: -52.401
flat angles C4'-P-C4' energy: -43.992
flat angles P-C4'-P energy: -40.390
tors. eta vs tors. theta energy: -18.464
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: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -298.974277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.974277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.974277 (E_RNA)
where:
Base-Base interactions energy: -115.245
where: short stacking energy: -68.149
Base-Backbone interact. energy: -1.382
local terms energy: -182.346760
where:
bonds (distance) C4'-P energy: -59.774
bonds (distance) P-C4' energy: -70.280
flat angles C4'-P-C4' energy: -32.974
flat angles P-C4'-P energy: -31.468
tors. eta vs tors. theta energy: 12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -279.260565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.260565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.260565 (E_RNA)
where:
Base-Base interactions energy: -87.804
where: short stacking energy: -60.052
Base-Backbone interact. energy: 1.139
local terms energy: -192.595273
where:
bonds (distance) C4'-P energy: -56.596
bonds (distance) P-C4' energy: -61.003
flat angles C4'-P-C4' energy: -55.343
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: 6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -250.886493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.886493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.886493 (E_RNA)
where:
Base-Base interactions energy: -76.546
where: short stacking energy: -50.403
Base-Backbone interact. energy: 5.950
local terms energy: -180.290378
where:
bonds (distance) C4'-P energy: -50.842
bonds (distance) P-C4' energy: -66.684
flat angles C4'-P-C4' energy: -45.481
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: 3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1012.223747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.223747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.223747 (E_RNA)
where:
Base-Base interactions energy: -687.411
where: short stacking energy: -298.480
Base-Backbone interact. energy: -0.929
local terms energy: -323.883520
where:
bonds (distance) C4'-P energy: -64.387
bonds (distance) P-C4' energy: -67.800
flat angles C4'-P-C4' energy: -73.456
flat angles P-C4'-P energy: -40.422
tors. eta vs tors. theta energy: -77.818
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: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -919.565405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.565405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.565405 (E_RNA)
where:
Base-Base interactions energy: -585.023
where: short stacking energy: -251.563
Base-Backbone interact. energy: 0.411
local terms energy: -334.953501
where:
bonds (distance) C4'-P energy: -73.435
bonds (distance) P-C4' energy: -65.471
flat angles C4'-P-C4' energy: -68.685
flat angles P-C4'-P energy: -44.183
tors. eta vs tors. theta energy: -83.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -807.011679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.011679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.011679 (E_RNA)
where:
Base-Base interactions energy: -531.488
where: short stacking energy: -226.140
Base-Backbone interact. energy: 1.986
local terms energy: -277.509996
where:
bonds (distance) C4'-P energy: -54.675
bonds (distance) P-C4' energy: -67.953
flat angles C4'-P-C4' energy: -63.512
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -50.658
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: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -746.218418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.218418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.218418 (E_RNA)
where:
Base-Base interactions energy: -470.702
where: short stacking energy: -206.885
Base-Backbone interact. energy: 5.108
local terms energy: -280.624261
where:
bonds (distance) C4'-P energy: -62.050
bonds (distance) P-C4' energy: -63.479
flat angles C4'-P-C4' energy: -65.045
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: -55.647
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: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -599.630754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.630754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.630754 (E_RNA)
where:
Base-Base interactions energy: -359.203
where: short stacking energy: -162.949
Base-Backbone interact. energy: -0.994
local terms energy: -239.433620
where:
bonds (distance) C4'-P energy: -49.853
bonds (distance) P-C4' energy: -62.146
flat angles C4'-P-C4' energy: -60.149
flat angles P-C4'-P energy: -39.623
tors. eta vs tors. theta energy: -27.663
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: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -547.346653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.346653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.346653 (E_RNA)
where:
Base-Base interactions energy: -318.252
where: short stacking energy: -140.862
Base-Backbone interact. energy: 0.448
local terms energy: -229.543378
where:
bonds (distance) C4'-P energy: -59.432
bonds (distance) P-C4' energy: -50.089
flat angles C4'-P-C4' energy: -64.889
flat angles P-C4'-P energy: -26.690
tors. eta vs tors. theta energy: -28.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -408.147439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.147439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.147439 (E_RNA)
where:
Base-Base interactions energy: -170.515
where: short stacking energy: -97.565
Base-Backbone interact. energy: -0.467
local terms energy: -237.165121
where:
bonds (distance) C4'-P energy: -59.750
bonds (distance) P-C4' energy: -56.910
flat angles C4'-P-C4' energy: -69.096
flat angles P-C4'-P energy: -39.394
tors. eta vs tors. theta energy: -12.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -283.689868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.689868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.689868 (E_RNA)
where:
Base-Base interactions energy: -101.618
where: short stacking energy: -67.522
Base-Backbone interact. energy: 0.548
local terms energy: -182.619774
where:
bonds (distance) C4'-P energy: -58.530
bonds (distance) P-C4' energy: -55.170
flat angles C4'-P-C4' energy: -44.428
flat angles P-C4'-P energy: -39.174
tors. eta vs tors. theta energy: 14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -281.333951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.333951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.333951 (E_RNA)
where:
Base-Base interactions energy: -112.232
where: short stacking energy: -74.639
Base-Backbone interact. energy: -1.311
local terms energy: -167.790900
where:
bonds (distance) C4'-P energy: -44.692
bonds (distance) P-C4' energy: -54.018
flat angles C4'-P-C4' energy: -47.355
flat angles P-C4'-P energy: -26.950
tors. eta vs tors. theta energy: 5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -269.594106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.594106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.594106 (E_RNA)
where:
Base-Base interactions energy: -65.411
where: short stacking energy: -46.189
Base-Backbone interact. energy: 1.558
local terms energy: -205.740482
where:
bonds (distance) C4'-P energy: -66.282
bonds (distance) P-C4' energy: -56.763
flat angles C4'-P-C4' energy: -46.896
flat angles P-C4'-P energy: -38.788
tors. eta vs tors. theta energy: 2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1039.191205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.191205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.191205 (E_RNA)
where:
Base-Base interactions energy: -697.421
where: short stacking energy: -274.986
Base-Backbone interact. energy: -0.675
local terms energy: -341.095048
where:
bonds (distance) C4'-P energy: -72.191
bonds (distance) P-C4' energy: -66.509
flat angles C4'-P-C4' energy: -72.366
flat angles P-C4'-P energy: -44.898
tors. eta vs tors. theta energy: -85.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -908.719813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.719813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.719813 (E_RNA)
where:
Base-Base interactions energy: -587.895
where: short stacking energy: -241.749
Base-Backbone interact. energy: -0.273
local terms energy: -320.552318
where:
bonds (distance) C4'-P energy: -62.658
bonds (distance) P-C4' energy: -70.644
flat angles C4'-P-C4' energy: -69.253
flat angles P-C4'-P energy: -49.569
tors. eta vs tors. theta energy: -68.429
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: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -829.469326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.469326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.469326 (E_RNA)
where:
Base-Base interactions energy: -523.443
where: short stacking energy: -222.959
Base-Backbone interact. energy: -1.154
local terms energy: -304.871756
where:
bonds (distance) C4'-P energy: -71.118
bonds (distance) P-C4' energy: -64.103
flat angles C4'-P-C4' energy: -67.129
flat angles P-C4'-P energy: -42.664
tors. eta vs tors. theta energy: -59.857
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: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -772.134881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.134881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.134881 (E_RNA)
where:
Base-Base interactions energy: -477.134
where: short stacking energy: -201.919
Base-Backbone interact. energy: -2.359
local terms energy: -292.642025
where:
bonds (distance) C4'-P energy: -57.387
bonds (distance) P-C4' energy: -67.078
flat angles C4'-P-C4' energy: -67.286
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: -63.036
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: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -632.485436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.485436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.485436 (E_RNA)
where:
Base-Base interactions energy: -379.876
where: short stacking energy: -176.329
Base-Backbone interact. energy: -0.408
local terms energy: -252.201167
where:
bonds (distance) C4'-P energy: -66.988
bonds (distance) P-C4' energy: -55.385
flat angles C4'-P-C4' energy: -59.153
flat angles P-C4'-P energy: -37.493
tors. eta vs tors. theta energy: -33.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -542.198046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.198046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.198046 (E_RNA)
where:
Base-Base interactions energy: -275.613
where: short stacking energy: -148.756
Base-Backbone interact. energy: -1.602
local terms energy: -264.983341
where:
bonds (distance) C4'-P energy: -64.533
bonds (distance) P-C4' energy: -64.619
flat angles C4'-P-C4' energy: -65.135
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: -35.470
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: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -423.553812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.553812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.553812 (E_RNA)
where:
Base-Base interactions energy: -215.889
where: short stacking energy: -136.679
Base-Backbone interact. energy: -1.674
local terms energy: -205.990349
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -64.230
flat angles C4'-P-C4' energy: -48.230
flat angles P-C4'-P energy: -26.800
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -353.135298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.135298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.135298 (E_RNA)
where:
Base-Base interactions energy: -155.493
where: short stacking energy: -89.492
Base-Backbone interact. energy: -0.216
local terms energy: -197.426565
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -59.999
flat angles C4'-P-C4' energy: -51.504
flat angles P-C4'-P energy: -33.148
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -284.682026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.682026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.682026 (E_RNA)
where:
Base-Base interactions energy: -90.999
where: short stacking energy: -77.404
Base-Backbone interact. energy: 4.311
local terms energy: -197.994165
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -63.993
flat angles C4'-P-C4' energy: -56.166
flat angles P-C4'-P energy: -28.992
tors. eta vs tors. theta energy: 2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -269.071225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.071225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.071225 (E_RNA)
where:
Base-Base interactions energy: -102.908
where: short stacking energy: -65.640
Base-Backbone interact. energy: 2.373
local terms energy: -168.535615
where:
bonds (distance) C4'-P energy: -52.334
bonds (distance) P-C4' energy: -66.813
flat angles C4'-P-C4' energy: -49.781
flat angles P-C4'-P energy: -29.133
tors. eta vs tors. theta energy: 29.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1022.414924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.414924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.414924 (E_RNA)
where:
Base-Base interactions energy: -699.962
where: short stacking energy: -289.606
Base-Backbone interact. energy: -1.097
local terms energy: -321.355262
where:
bonds (distance) C4'-P energy: -65.967
bonds (distance) P-C4' energy: -59.048
flat angles C4'-P-C4' energy: -68.302
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -81.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -882.937601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.937601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.937601 (E_RNA)
where:
Base-Base interactions energy: -583.831
where: short stacking energy: -243.031
Base-Backbone interact. energy: -1.369
local terms energy: -297.737727
where:
bonds (distance) C4'-P energy: -64.634
bonds (distance) P-C4' energy: -57.678
flat angles C4'-P-C4' energy: -68.330
flat angles P-C4'-P energy: -38.934
tors. eta vs tors. theta energy: -68.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -808.017201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.017201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.017201 (E_RNA)
where:
Base-Base interactions energy: -498.658
where: short stacking energy: -220.500
Base-Backbone interact. energy: -2.718
local terms energy: -306.641106
where:
bonds (distance) C4'-P energy: -61.514
bonds (distance) P-C4' energy: -64.859
flat angles C4'-P-C4' energy: -75.904
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: -59.214
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: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -766.091418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.091418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.091418 (E_RNA)
where:
Base-Base interactions energy: -482.320
where: short stacking energy: -196.082
Base-Backbone interact. energy: -2.546
local terms energy: -281.225832
where:
bonds (distance) C4'-P energy: -68.306
bonds (distance) P-C4' energy: -67.794
flat angles C4'-P-C4' energy: -67.956
flat angles P-C4'-P energy: -38.574
tors. eta vs tors. theta energy: -38.597
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: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -630.637138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.637138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.637138 (E_RNA)
where:
Base-Base interactions energy: -397.147
where: short stacking energy: -176.739
Base-Backbone interact. energy: -0.555
local terms energy: -232.935425
where:
bonds (distance) C4'-P energy: -62.427
bonds (distance) P-C4' energy: -59.799
flat angles C4'-P-C4' energy: -54.450
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -34.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -598.093338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.093338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.093338 (E_RNA)
where:
Base-Base interactions energy: -339.928
where: short stacking energy: -142.405
Base-Backbone interact. energy: 1.668
local terms energy: -259.832918
where:
bonds (distance) C4'-P energy: -57.660
bonds (distance) P-C4' energy: -70.445
flat angles C4'-P-C4' energy: -61.415
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: -30.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -413.757691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.757691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.757691 (E_RNA)
where:
Base-Base interactions energy: -207.219
where: short stacking energy: -109.643
Base-Backbone interact. energy: -0.525
local terms energy: -206.013433
where:
bonds (distance) C4'-P energy: -54.670
bonds (distance) P-C4' energy: -66.686
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -305.708300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.708300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.708300 (E_RNA)
where:
Base-Base interactions energy: -105.546
where: short stacking energy: -73.933
Base-Backbone interact. energy: -0.438
local terms energy: -199.723745
where:
bonds (distance) C4'-P energy: -64.851
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -48.681
flat angles P-C4'-P energy: -37.555
tors. eta vs tors. theta energy: 4.424
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: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -286.519637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.519637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.519637 (E_RNA)
where:
Base-Base interactions energy: -85.020
where: short stacking energy: -69.096
Base-Backbone interact. energy: 1.118
local terms energy: -202.617437
where:
bonds (distance) C4'-P energy: -60.274
bonds (distance) P-C4' energy: -63.996
flat angles C4'-P-C4' energy: -63.614
flat angles P-C4'-P energy: -25.801
tors. eta vs tors. theta energy: 11.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -262.420963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.420963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.420963 (E_RNA)
where:
Base-Base interactions energy: -72.237
where: short stacking energy: -53.567
Base-Backbone interact. energy: -1.410
local terms energy: -188.773993
where:
bonds (distance) C4'-P energy: -58.241
bonds (distance) P-C4' energy: -55.586
flat angles C4'-P-C4' energy: -51.981
flat angles P-C4'-P energy: -34.729
tors. eta vs tors. theta energy: 11.763
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: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -996.014320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.014320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.014320 (E_RNA)
where:
Base-Base interactions energy: -665.228
where: short stacking energy: -273.824
Base-Backbone interact. energy: -0.681
local terms energy: -330.105176
where:
bonds (distance) C4'-P energy: -75.573
bonds (distance) P-C4' energy: -73.619
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -38.383
tors. eta vs tors. theta energy: -81.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -909.784631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.784631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.784631 (E_RNA)
where:
Base-Base interactions energy: -606.737
where: short stacking energy: -275.687
Base-Backbone interact. energy: -1.719
local terms energy: -301.329271
where:
bonds (distance) C4'-P energy: -60.591
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -36.536
tors. eta vs tors. theta energy: -80.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -826.106234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.106234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.106234 (E_RNA)
where:
Base-Base interactions energy: -500.493
where: short stacking energy: -240.102
Base-Backbone interact. energy: -2.407
local terms energy: -323.206477
where:
bonds (distance) C4'-P energy: -62.322
bonds (distance) P-C4' energy: -73.306
flat angles C4'-P-C4' energy: -72.636
flat angles P-C4'-P energy: -49.836
tors. eta vs tors. theta energy: -65.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -819.542367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.542367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.542367 (E_RNA)
where:
Base-Base interactions energy: -525.247
where: short stacking energy: -201.253
Base-Backbone interact. energy: -1.771
local terms energy: -292.524457
where:
bonds (distance) C4'-P energy: -66.572
bonds (distance) P-C4' energy: -68.006
flat angles C4'-P-C4' energy: -64.435
flat angles P-C4'-P energy: -41.955
tors. eta vs tors. theta energy: -51.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -671.685869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.685869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.685869 (E_RNA)
where:
Base-Base interactions energy: -396.841
where: short stacking energy: -202.571
Base-Backbone interact. energy: -1.401
local terms energy: -273.443870
where:
bonds (distance) C4'-P energy: -51.256
bonds (distance) P-C4' energy: -63.025
flat angles C4'-P-C4' energy: -71.249
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -51.814
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: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -641.861495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.861495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.861495 (E_RNA)
where:
Base-Base interactions energy: -368.528
where: short stacking energy: -189.011
Base-Backbone interact. energy: 1.411
local terms energy: -274.743923
where:
bonds (distance) C4'-P energy: -56.042
bonds (distance) P-C4' energy: -74.022
flat angles C4'-P-C4' energy: -54.773
flat angles P-C4'-P energy: -45.676
tors. eta vs tors. theta energy: -44.231
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: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -386.180608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.180608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.180608 (E_RNA)
where:
Base-Base interactions energy: -171.882
where: short stacking energy: -116.591
Base-Backbone interact. energy: 3.018
local terms energy: -218.348490
where:
bonds (distance) C4'-P energy: -64.300
bonds (distance) P-C4' energy: -59.932
flat angles C4'-P-C4' energy: -52.056
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.032 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -303.965193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.965193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.965193 (E_RNA)
where:
Base-Base interactions energy: -121.360
where: short stacking energy: -78.579
Base-Backbone interact. energy: 2.515
local terms energy: -185.119666
where:
bonds (distance) C4'-P energy: -38.434
bonds (distance) P-C4' energy: -60.484
flat angles C4'-P-C4' energy: -58.371
flat angles P-C4'-P energy: -35.461
tors. eta vs tors. theta energy: 7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -271.349069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.349069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.349069 (E_RNA)
where:
Base-Base interactions energy: -98.613
where: short stacking energy: -80.165
Base-Backbone interact. energy: 3.340
local terms energy: -176.076554
where:
bonds (distance) C4'-P energy: -48.255
bonds (distance) P-C4' energy: -51.387
flat angles C4'-P-C4' energy: -55.512
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: 12.343
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: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -268.371782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.371782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.371782 (E_RNA)
where:
Base-Base interactions energy: -100.481
where: short stacking energy: -58.229
Base-Backbone interact. energy: 2.669
local terms energy: -170.559560
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -56.601
flat angles C4'-P-C4' energy: -41.510
flat angles P-C4'-P energy: -35.965
tors. eta vs tors. theta energy: 17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -989.162046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.162046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.162046 (E_RNA)
where:
Base-Base interactions energy: -649.436
where: short stacking energy: -263.648
Base-Backbone interact. energy: -1.705
local terms energy: -338.021778
where:
bonds (distance) C4'-P energy: -67.813
bonds (distance) P-C4' energy: -71.044
flat angles C4'-P-C4' energy: -68.787
flat angles P-C4'-P energy: -56.041
tors. eta vs tors. theta energy: -74.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -903.691204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.691204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.691204 (E_RNA)
where:
Base-Base interactions energy: -567.704
where: short stacking energy: -238.219
Base-Backbone interact. energy: -0.785
local terms energy: -335.202315
where:
bonds (distance) C4'-P energy: -70.042
bonds (distance) P-C4' energy: -70.280
flat angles C4'-P-C4' energy: -67.555
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: -84.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -795.171528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.171528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.171528 (E_RNA)
where:
Base-Base interactions energy: -506.026
where: short stacking energy: -222.153
Base-Backbone interact. energy: -2.549
local terms energy: -286.596181
where:
bonds (distance) C4'-P energy: -60.425
bonds (distance) P-C4' energy: -57.667
flat angles C4'-P-C4' energy: -65.316
flat angles P-C4'-P energy: -45.373
tors. eta vs tors. theta energy: -57.815
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: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -785.200216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.200216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.200216 (E_RNA)
where:
Base-Base interactions energy: -505.172
where: short stacking energy: -192.051
Base-Backbone interact. energy: 0.785
local terms energy: -280.813808
where:
bonds (distance) C4'-P energy: -66.038
bonds (distance) P-C4' energy: -65.212
flat angles C4'-P-C4' energy: -65.956
flat angles P-C4'-P energy: -37.266
tors. eta vs tors. theta energy: -46.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -645.929240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.929240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.929240 (E_RNA)
where:
Base-Base interactions energy: -388.576
where: short stacking energy: -176.371
Base-Backbone interact. energy: 1.791
local terms energy: -259.144275
where:
bonds (distance) C4'-P energy: -56.195
bonds (distance) P-C4' energy: -64.447
flat angles C4'-P-C4' energy: -61.269
flat angles P-C4'-P energy: -37.847
tors. eta vs tors. theta energy: -39.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -607.688765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.688765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.688765 (E_RNA)
where:
Base-Base interactions energy: -330.190
where: short stacking energy: -148.119
Base-Backbone interact. energy: 0.276
local terms energy: -277.775525
where:
bonds (distance) C4'-P energy: -66.842
bonds (distance) P-C4' energy: -69.091
flat angles C4'-P-C4' energy: -66.936
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -36.370
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: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -308.849150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.849150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.849150 (E_RNA)
where:
Base-Base interactions energy: -99.062
where: short stacking energy: -79.003
Base-Backbone interact. energy: 3.845
local terms energy: -213.633065
where:
bonds (distance) C4'-P energy: -60.201
bonds (distance) P-C4' energy: -80.322
flat angles C4'-P-C4' energy: -51.943
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: 8.123
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: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -345.733089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.733089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.733089 (E_RNA)
where:
Base-Base interactions energy: -153.162
where: short stacking energy: -67.337
Base-Backbone interact. energy: -1.688
local terms energy: -190.883665
where:
bonds (distance) C4'-P energy: -57.702
bonds (distance) P-C4' energy: -55.659
flat angles C4'-P-C4' energy: -45.108
flat angles P-C4'-P energy: -39.938
tors. eta vs tors. theta energy: 7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -301.594816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.594816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.594816 (E_RNA)
where:
Base-Base interactions energy: -113.931
where: short stacking energy: -86.073
Base-Backbone interact. energy: 2.304
local terms energy: -189.967570
where:
bonds (distance) C4'-P energy: -46.924
bonds (distance) P-C4' energy: -70.510
flat angles C4'-P-C4' energy: -52.201
flat angles P-C4'-P energy: -22.901
tors. eta vs tors. theta energy: 2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -294.021539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.021539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.021539 (E_RNA)
where:
Base-Base interactions energy: -120.081
where: short stacking energy: -68.570
Base-Backbone interact. energy: -0.557
local terms energy: -173.382806
where:
bonds (distance) C4'-P energy: -44.090
bonds (distance) P-C4' energy: -55.193
flat angles C4'-P-C4' energy: -55.243
flat angles P-C4'-P energy: -30.621
tors. eta vs tors. theta energy: 11.764
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: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -978.292655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.292655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.292655 (E_RNA)
where:
Base-Base interactions energy: -650.743
where: short stacking energy: -262.212
Base-Backbone interact. energy: 1.566
local terms energy: -329.115109
where:
bonds (distance) C4'-P energy: -65.333
bonds (distance) P-C4' energy: -71.332
flat angles C4'-P-C4' energy: -72.121
flat angles P-C4'-P energy: -41.047
tors. eta vs tors. theta energy: -79.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -878.612141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.612141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.612141 (E_RNA)
where:
Base-Base interactions energy: -536.046
where: short stacking energy: -240.023
Base-Backbone interact. energy: -1.073
local terms energy: -341.492409
where:
bonds (distance) C4'-P energy: -60.101
bonds (distance) P-C4' energy: -77.013
flat angles C4'-P-C4' energy: -73.402
flat angles P-C4'-P energy: -51.922
tors. eta vs tors. theta energy: -79.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -858.353541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.353541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.353541 (E_RNA)
where:
Base-Base interactions energy: -562.965
where: short stacking energy: -240.518
Base-Backbone interact. energy: -1.828
local terms energy: -293.560862
where:
bonds (distance) C4'-P energy: -62.461
bonds (distance) P-C4' energy: -59.050
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -36.933
tors. eta vs tors. theta energy: -69.175
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: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -801.897538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.897538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.897538 (E_RNA)
where:
Base-Base interactions energy: -505.394
where: short stacking energy: -208.645
Base-Backbone interact. energy: -0.715
local terms energy: -295.939546
where:
bonds (distance) C4'-P energy: -59.029
bonds (distance) P-C4' energy: -73.628
flat angles C4'-P-C4' energy: -61.912
flat angles P-C4'-P energy: -43.445
tors. eta vs tors. theta energy: -57.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.151 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -632.676994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.676994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.676994 (E_RNA)
where:
Base-Base interactions energy: -371.199
where: short stacking energy: -183.119
Base-Backbone interact. energy: -0.725
local terms energy: -260.753295
where:
bonds (distance) C4'-P energy: -55.815
bonds (distance) P-C4' energy: -66.634
flat angles C4'-P-C4' energy: -62.641
flat angles P-C4'-P energy: -29.543
tors. eta vs tors. theta energy: -46.120
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: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -617.743453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.743453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.743453 (E_RNA)
where:
Base-Base interactions energy: -370.426
where: short stacking energy: -179.201
Base-Backbone interact. energy: 1.192
local terms energy: -248.509524
where:
bonds (distance) C4'-P energy: -68.253
bonds (distance) P-C4' energy: -53.030
flat angles C4'-P-C4' energy: -59.961
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -34.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -324.519529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.519529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.519529 (E_RNA)
where:
Base-Base interactions energy: -126.305
where: short stacking energy: -91.198
Base-Backbone interact. energy: 5.396
local terms energy: -203.611033
where:
bonds (distance) C4'-P energy: -69.765
bonds (distance) P-C4' energy: -50.407
flat angles C4'-P-C4' energy: -52.761
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -376.978039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.978039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.978039 (E_RNA)
where:
Base-Base interactions energy: -184.238
where: short stacking energy: -84.405
Base-Backbone interact. energy: 2.030
local terms energy: -194.770189
where:
bonds (distance) C4'-P energy: -45.466
bonds (distance) P-C4' energy: -68.945
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -35.854
tors. eta vs tors. theta energy: 2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -273.919689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.919689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.919689 (E_RNA)
where:
Base-Base interactions energy: -83.188
where: short stacking energy: -71.244
Base-Backbone interact. energy: -1.782
local terms energy: -188.950419
where:
bonds (distance) C4'-P energy: -53.314
bonds (distance) P-C4' energy: -57.268
flat angles C4'-P-C4' energy: -57.097
flat angles P-C4'-P energy: -23.570
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: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -253.074132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.074132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.074132 (E_RNA)
where:
Base-Base interactions energy: -87.510
where: short stacking energy: -55.397
Base-Backbone interact. energy: -0.141
local terms energy: -165.422482
where:
bonds (distance) C4'-P energy: -54.228
bonds (distance) P-C4' energy: -63.871
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: 17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -993.430406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.430406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.430406 (E_RNA)
where:
Base-Base interactions energy: -671.261
where: short stacking energy: -283.065
Base-Backbone interact. energy: -0.097
local terms energy: -322.072559
where:
bonds (distance) C4'-P energy: -71.430
bonds (distance) P-C4' energy: -59.427
flat angles C4'-P-C4' energy: -72.002
flat angles P-C4'-P energy: -33.409
tors. eta vs tors. theta energy: -85.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -852.895254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.895254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.895254 (E_RNA)
where:
Base-Base interactions energy: -546.856
where: short stacking energy: -254.744
Base-Backbone interact. energy: 1.881
local terms energy: -307.919817
where:
bonds (distance) C4'-P energy: -62.300
bonds (distance) P-C4' energy: -65.098
flat angles C4'-P-C4' energy: -73.889
flat angles P-C4'-P energy: -44.581
tors. eta vs tors. theta energy: -62.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -861.368348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.368348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.368348 (E_RNA)
where:
Base-Base interactions energy: -580.994
where: short stacking energy: -237.413
Base-Backbone interact. energy: 0.472
local terms energy: -280.845998
where:
bonds (distance) C4'-P energy: -54.337
bonds (distance) P-C4' energy: -65.295
flat angles C4'-P-C4' energy: -65.508
flat angles P-C4'-P energy: -32.198
tors. eta vs tors. theta energy: -63.508
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: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -842.084735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.084735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.084735 (E_RNA)
where:
Base-Base interactions energy: -556.374
where: short stacking energy: -234.388
Base-Backbone interact. energy: -2.510
local terms energy: -283.201302
where:
bonds (distance) C4'-P energy: -58.148
bonds (distance) P-C4' energy: -49.532
flat angles C4'-P-C4' energy: -62.312
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -73.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -672.946636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.946636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.946636 (E_RNA)
where:
Base-Base interactions energy: -392.261
where: short stacking energy: -192.627
Base-Backbone interact. energy: -0.518
local terms energy: -280.167958
where:
bonds (distance) C4'-P energy: -61.394
bonds (distance) P-C4' energy: -60.899
flat angles C4'-P-C4' energy: -76.891
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: -47.135
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: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -586.496066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.496066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.496066 (E_RNA)
where:
Base-Base interactions energy: -358.983
where: short stacking energy: -174.281
Base-Backbone interact. energy: 1.021
local terms energy: -228.534144
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -58.650
flat angles C4'-P-C4' energy: -52.674
flat angles P-C4'-P energy: -33.485
tors. eta vs tors. theta energy: -37.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -346.449111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.449111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.449111 (E_RNA)
where:
Base-Base interactions energy: -148.291
where: short stacking energy: -93.384
Base-Backbone interact. energy: 1.187
local terms energy: -199.345750
where:
bonds (distance) C4'-P energy: -55.227
bonds (distance) P-C4' energy: -64.995
flat angles C4'-P-C4' energy: -45.683
flat angles P-C4'-P energy: -27.515
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -314.154403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.154403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.154403 (E_RNA)
where:
Base-Base interactions energy: -111.884
where: short stacking energy: -81.332
Base-Backbone interact. energy: -0.604
local terms energy: -201.666200
where:
bonds (distance) C4'-P energy: -66.778
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -58.754
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: 10.685
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: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -270.425603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.425603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.425603 (E_RNA)
where:
Base-Base interactions energy: -99.632
where: short stacking energy: -77.430
Base-Backbone interact. energy: -2.189
local terms energy: -168.604474
where:
bonds (distance) C4'-P energy: -51.721
bonds (distance) P-C4' energy: -59.925
flat angles C4'-P-C4' energy: -50.775
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: 20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -301.377081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.377081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.377081 (E_RNA)
where:
Base-Base interactions energy: -114.513
where: short stacking energy: -70.083
Base-Backbone interact. energy: 2.451
local terms energy: -189.315087
where:
bonds (distance) C4'-P energy: -53.914
bonds (distance) P-C4' energy: -61.659
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -37.832
tors. eta vs tors. theta energy: 1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1021.587852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.587852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.587852 (E_RNA)
where:
Base-Base interactions energy: -684.073
where: short stacking energy: -276.016
Base-Backbone interact. energy: -1.659
local terms energy: -335.856598
where:
bonds (distance) C4'-P energy: -70.106
bonds (distance) P-C4' energy: -67.286
flat angles C4'-P-C4' energy: -74.550
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -82.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -896.831294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.831294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.831294 (E_RNA)
where:
Base-Base interactions energy: -579.901
where: short stacking energy: -231.941
Base-Backbone interact. energy: -0.604
local terms energy: -316.326658
where:
bonds (distance) C4'-P energy: -68.028
bonds (distance) P-C4' energy: -65.161
flat angles C4'-P-C4' energy: -65.657
flat angles P-C4'-P energy: -53.286
tors. eta vs tors. theta energy: -64.195
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: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -862.405748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.405748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.405748 (E_RNA)
where:
Base-Base interactions energy: -544.491
where: short stacking energy: -254.140
Base-Backbone interact. energy: -0.888
local terms energy: -317.026780
where:
bonds (distance) C4'-P energy: -57.811
bonds (distance) P-C4' energy: -67.287
flat angles C4'-P-C4' energy: -69.356
flat angles P-C4'-P energy: -41.136
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: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -907.840844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.840844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.840844 (E_RNA)
where:
Base-Base interactions energy: -624.305
where: short stacking energy: -234.673
Base-Backbone interact. energy: -0.190
local terms energy: -283.345868
where:
bonds (distance) C4'-P energy: -58.948
bonds (distance) P-C4' energy: -61.814
flat angles C4'-P-C4' energy: -57.000
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -64.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -644.221372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.221372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.221372 (E_RNA)
where:
Base-Base interactions energy: -387.416
where: short stacking energy: -169.365
Base-Backbone interact. energy: -2.592
local terms energy: -254.213470
where:
bonds (distance) C4'-P energy: -57.839
bonds (distance) P-C4' energy: -60.328
flat angles C4'-P-C4' energy: -56.418
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: -41.777
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: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -608.185858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.185858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.185858 (E_RNA)
where:
Base-Base interactions energy: -352.521
where: short stacking energy: -156.982
Base-Backbone interact. energy: -2.120
local terms energy: -253.545194
where:
bonds (distance) C4'-P energy: -49.950
bonds (distance) P-C4' energy: -61.632
flat angles C4'-P-C4' energy: -67.479
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -37.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -401.916022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.916022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.916022 (E_RNA)
where:
Base-Base interactions energy: -194.740
where: short stacking energy: -108.342
Base-Backbone interact. energy: -0.788
local terms energy: -206.387925
where:
bonds (distance) C4'-P energy: -53.668
bonds (distance) P-C4' energy: -46.427
flat angles C4'-P-C4' energy: -56.487
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -10.106
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: 61
Temperature: 1.250000
Total energy: -283.444792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.444792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.444792 (E_RNA)
where:
Base-Base interactions energy: -109.294
where: short stacking energy: -80.719
Base-Backbone interact. energy: -1.205
local terms energy: -172.945689
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -65.894
flat angles C4'-P-C4' energy: -44.003
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: 7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -260.658342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.658342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.658342 (E_RNA)
where:
Base-Base interactions energy: -69.440
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.241
local terms energy: -191.803178
where:
bonds (distance) C4'-P energy: -68.446
bonds (distance) P-C4' energy: -55.988
flat angles C4'-P-C4' energy: -41.740
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: 14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.827 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -250.701640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.701640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.701640 (E_RNA)
where:
Base-Base interactions energy: -62.064
where: short stacking energy: -45.542
Base-Backbone interact. energy: 2.420
local terms energy: -191.057515
where:
bonds (distance) C4'-P energy: -56.030
bonds (distance) P-C4' energy: -64.424
flat angles C4'-P-C4' energy: -48.940
flat angles P-C4'-P energy: -39.060
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: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -995.865494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.865494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.865494 (E_RNA)
where:
Base-Base interactions energy: -662.338
where: short stacking energy: -294.615
Base-Backbone interact. energy: -0.645
local terms energy: -332.882621
where:
bonds (distance) C4'-P energy: -65.836
bonds (distance) P-C4' energy: -64.747
flat angles C4'-P-C4' energy: -73.704
flat angles P-C4'-P energy: -48.845
tors. eta vs tors. theta energy: -79.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -896.630083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.630083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.630083 (E_RNA)
where:
Base-Base interactions energy: -570.783
where: short stacking energy: -246.129
Base-Backbone interact. energy: -0.806
local terms energy: -325.041223
where:
bonds (distance) C4'-P energy: -69.979
bonds (distance) P-C4' energy: -68.352
flat angles C4'-P-C4' energy: -67.775
flat angles P-C4'-P energy: -49.095
tors. eta vs tors. theta energy: -69.841
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: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -957.914147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.914147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.914147 (E_RNA)
where:
Base-Base interactions energy: -636.263
where: short stacking energy: -265.592
Base-Backbone interact. energy: 2.239
local terms energy: -323.890046
where:
bonds (distance) C4'-P energy: -67.892
bonds (distance) P-C4' energy: -61.421
flat angles C4'-P-C4' energy: -76.249
flat angles P-C4'-P energy: -48.441
tors. eta vs tors. theta energy: -69.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -808.563718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.563718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.563718 (E_RNA)
where:
Base-Base interactions energy: -520.840
where: short stacking energy: -231.321
Base-Backbone interact. energy: -1.303
local terms energy: -286.420417
where:
bonds (distance) C4'-P energy: -56.518
bonds (distance) P-C4' energy: -54.623
flat angles C4'-P-C4' energy: -63.767
flat angles P-C4'-P energy: -43.786
tors. eta vs tors. theta energy: -67.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -643.212433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.212433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.212433 (E_RNA)
where:
Base-Base interactions energy: -367.782
where: short stacking energy: -180.733
Base-Backbone interact. energy: 3.618
local terms energy: -279.048160
where:
bonds (distance) C4'-P energy: -54.182
bonds (distance) P-C4' energy: -65.430
flat angles C4'-P-C4' energy: -70.640
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -50.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -599.074713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.074713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.074713 (E_RNA)
where:
Base-Base interactions energy: -337.004
where: short stacking energy: -158.101
Base-Backbone interact. energy: -0.619
local terms energy: -261.451486
where:
bonds (distance) C4'-P energy: -56.786
bonds (distance) P-C4' energy: -60.154
flat angles C4'-P-C4' energy: -66.446
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: -44.421
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: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -417.794958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.794958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.794958 (E_RNA)
where:
Base-Base interactions energy: -191.894
where: short stacking energy: -99.199
Base-Backbone interact. energy: -0.348
local terms energy: -225.553314
where:
bonds (distance) C4'-P energy: -68.446
bonds (distance) P-C4' energy: -56.365
flat angles C4'-P-C4' energy: -51.316
flat angles P-C4'-P energy: -42.689
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -315.836501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.836501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.836501 (E_RNA)
where:
Base-Base interactions energy: -124.895
where: short stacking energy: -94.742
Base-Backbone interact. energy: -1.382
local terms energy: -189.559098
where:
bonds (distance) C4'-P energy: -61.950
bonds (distance) P-C4' energy: -61.556
flat angles C4'-P-C4' energy: -45.510
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: 0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -299.898632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.898632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.898632 (E_RNA)
where:
Base-Base interactions energy: -120.066
where: short stacking energy: -72.306
Base-Backbone interact. energy: -1.482
local terms energy: -178.350312
where:
bonds (distance) C4'-P energy: -49.726
bonds (distance) P-C4' energy: -68.564
flat angles C4'-P-C4' energy: -39.422
flat angles P-C4'-P energy: -30.807
tors. eta vs tors. theta energy: 10.168
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: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -277.148035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.148035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.148035 (E_RNA)
where:
Base-Base interactions energy: -87.108
where: short stacking energy: -78.377
Base-Backbone interact. energy: 3.552
local terms energy: -193.591725
where:
bonds (distance) C4'-P energy: -55.352
bonds (distance) P-C4' energy: -62.148
flat angles C4'-P-C4' energy: -53.037
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: 5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -976.996851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.996851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.996851 (E_RNA)
where:
Base-Base interactions energy: -648.310
where: short stacking energy: -286.447
Base-Backbone interact. energy: 2.232
local terms energy: -330.918531
where:
bonds (distance) C4'-P energy: -68.123
bonds (distance) P-C4' energy: -66.950
flat angles C4'-P-C4' energy: -79.711
flat angles P-C4'-P energy: -37.305
tors. eta vs tors. theta energy: -78.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -967.968216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.968216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.968216 (E_RNA)
where:
Base-Base interactions energy: -654.641
where: short stacking energy: -264.511
Base-Backbone interact. energy: 0.498
local terms energy: -313.825758
where:
bonds (distance) C4'-P energy: -58.843
bonds (distance) P-C4' energy: -71.044
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -71.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -877.631326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.631326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.631326 (E_RNA)
where:
Base-Base interactions energy: -576.958
where: short stacking energy: -243.366
Base-Backbone interact. energy: -1.009
local terms energy: -299.664504
where:
bonds (distance) C4'-P energy: -56.311
bonds (distance) P-C4' energy: -58.645
flat angles C4'-P-C4' energy: -75.987
flat angles P-C4'-P energy: -43.698
tors. eta vs tors. theta energy: -65.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -780.377809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.377809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.377809 (E_RNA)
where:
Base-Base interactions energy: -495.465
where: short stacking energy: -211.347
Base-Backbone interact. energy: 0.362
local terms energy: -285.275214
where:
bonds (distance) C4'-P energy: -59.742
bonds (distance) P-C4' energy: -61.966
flat angles C4'-P-C4' energy: -61.603
flat angles P-C4'-P energy: -44.749
tors. eta vs tors. theta energy: -57.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -670.272926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.272926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.272926 (E_RNA)
where:
Base-Base interactions energy: -403.522
where: short stacking energy: -192.234
Base-Backbone interact. energy: -1.802
local terms energy: -264.948519
where:
bonds (distance) C4'-P energy: -60.961
bonds (distance) P-C4' energy: -58.967
flat angles C4'-P-C4' energy: -58.805
flat angles P-C4'-P energy: -35.760
tors. eta vs tors. theta energy: -50.457
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: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -580.181249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.181249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.181249 (E_RNA)
where:
Base-Base interactions energy: -320.719
where: short stacking energy: -165.191
Base-Backbone interact. energy: -0.289
local terms energy: -259.173234
where:
bonds (distance) C4'-P energy: -68.644
bonds (distance) P-C4' energy: -63.597
flat angles C4'-P-C4' energy: -51.612
flat angles P-C4'-P energy: -36.217
tors. eta vs tors. theta energy: -39.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -433.112532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.112532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.112532 (E_RNA)
where:
Base-Base interactions energy: -218.876
where: short stacking energy: -103.883
Base-Backbone interact. energy: -0.265
local terms energy: -213.971161
where:
bonds (distance) C4'-P energy: -56.736
bonds (distance) P-C4' energy: -66.617
flat angles C4'-P-C4' energy: -45.981
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -354.697339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.697339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.697339 (E_RNA)
where:
Base-Base interactions energy: -158.765
where: short stacking energy: -79.382
Base-Backbone interact. energy: 2.409
local terms energy: -198.341130
where:
bonds (distance) C4'-P energy: -63.909
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -48.864
flat angles P-C4'-P energy: -32.875
tors. eta vs tors. theta energy: -1.822
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: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -273.039061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.039061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.039061 (E_RNA)
where:
Base-Base interactions energy: -87.749
where: short stacking energy: -48.267
Base-Backbone interact. energy: 3.350
local terms energy: -188.640925
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -67.229
flat angles C4'-P-C4' energy: -46.648
flat angles P-C4'-P energy: -35.235
tors. eta vs tors. theta energy: 11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -273.479299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.479299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.479299 (E_RNA)
where:
Base-Base interactions energy: -99.098
where: short stacking energy: -50.121
Base-Backbone interact. energy: 0.209
local terms energy: -174.590973
where:
bonds (distance) C4'-P energy: -53.366
bonds (distance) P-C4' energy: -46.959
flat angles C4'-P-C4' energy: -59.602
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: 7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -999.407371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.407371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.407371 (E_RNA)
where:
Base-Base interactions energy: -677.491
where: short stacking energy: -272.896
Base-Backbone interact. energy: 0.002
local terms energy: -321.917770
where:
bonds (distance) C4'-P energy: -63.853
bonds (distance) P-C4' energy: -69.238
flat angles C4'-P-C4' energy: -71.949
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -77.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -979.064766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.064766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.064766 (E_RNA)
where:
Base-Base interactions energy: -650.281
where: short stacking energy: -263.734
Base-Backbone interact. energy: -0.626
local terms energy: -328.157406
where:
bonds (distance) C4'-P energy: -63.808
bonds (distance) P-C4' energy: -68.854
flat angles C4'-P-C4' energy: -69.901
flat angles P-C4'-P energy: -46.286
tors. eta vs tors. theta energy: -79.309
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: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -862.608590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.608590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.608590 (E_RNA)
where:
Base-Base interactions energy: -566.949
where: short stacking energy: -236.203
Base-Backbone interact. energy: -1.848
local terms energy: -293.811583
where:
bonds (distance) C4'-P energy: -52.625
bonds (distance) P-C4' energy: -62.556
flat angles C4'-P-C4' energy: -67.621
flat angles P-C4'-P energy: -42.277
tors. eta vs tors. theta energy: -68.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -780.715729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.715729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.715729 (E_RNA)
where:
Base-Base interactions energy: -489.606
where: short stacking energy: -214.277
Base-Backbone interact. energy: -2.046
local terms energy: -289.063876
where:
bonds (distance) C4'-P energy: -60.730
bonds (distance) P-C4' energy: -65.206
flat angles C4'-P-C4' energy: -60.766
flat angles P-C4'-P energy: -47.114
tors. eta vs tors. theta energy: -55.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -730.393284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.393284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.393284 (E_RNA)
where:
Base-Base interactions energy: -440.380
where: short stacking energy: -214.013
Base-Backbone interact. energy: -1.140
local terms energy: -288.873196
where:
bonds (distance) C4'-P energy: -56.574
bonds (distance) P-C4' energy: -68.742
flat angles C4'-P-C4' energy: -66.520
flat angles P-C4'-P energy: -39.563
tors. eta vs tors. theta energy: -57.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -586.630240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.630240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.630240 (E_RNA)
where:
Base-Base interactions energy: -338.283
where: short stacking energy: -164.916
Base-Backbone interact. energy: -1.022
local terms energy: -248.334847
where:
bonds (distance) C4'-P energy: -65.838
bonds (distance) P-C4' energy: -66.349
flat angles C4'-P-C4' energy: -60.837
flat angles P-C4'-P energy: -31.684
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.010 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -396.063214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.063214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.063214 (E_RNA)
where:
Base-Base interactions energy: -177.586
where: short stacking energy: -101.277
Base-Backbone interact. energy: -2.012
local terms energy: -216.465091
where:
bonds (distance) C4'-P energy: -59.331
bonds (distance) P-C4' energy: -55.682
flat angles C4'-P-C4' energy: -49.858
flat angles P-C4'-P energy: -41.843
tors. eta vs tors. theta energy: -9.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -294.719833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.719833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.719833 (E_RNA)
where:
Base-Base interactions energy: -110.659
where: short stacking energy: -88.558
Base-Backbone interact. energy: -1.574
local terms energy: -182.486183
where:
bonds (distance) C4'-P energy: -51.172
bonds (distance) P-C4' energy: -56.796
flat angles C4'-P-C4' energy: -62.235
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: 5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -272.762873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.762873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.762873 (E_RNA)
where:
Base-Base interactions energy: -91.849
where: short stacking energy: -80.225
Base-Backbone interact. energy: -0.863
local terms energy: -180.050402
where:
bonds (distance) C4'-P energy: -54.585
bonds (distance) P-C4' energy: -54.232
flat angles C4'-P-C4' energy: -39.261
flat angles P-C4'-P energy: -30.133
tors. eta vs tors. theta energy: -1.839
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: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -260.471986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.471986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.471986 (E_RNA)
where:
Base-Base interactions energy: -84.442
where: short stacking energy: -50.819
Base-Backbone interact. energy: 1.325
local terms energy: -177.354829
where:
bonds (distance) C4'-P energy: -59.714
bonds (distance) P-C4' energy: -57.540
flat angles C4'-P-C4' energy: -46.649
flat angles P-C4'-P energy: -29.261
tors. eta vs tors. theta energy: 15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1000.839324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.839324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.839324 (E_RNA)
where:
Base-Base interactions energy: -662.013
where: short stacking energy: -263.860
Base-Backbone interact. energy: 1.038
local terms energy: -339.863989
where:
bonds (distance) C4'-P energy: -74.851
bonds (distance) P-C4' energy: -67.050
flat angles C4'-P-C4' energy: -73.401
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: -79.054
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: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -967.530238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.530238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.530238 (E_RNA)
where:
Base-Base interactions energy: -639.419
where: short stacking energy: -283.806
Base-Backbone interact. energy: -1.605
local terms energy: -326.506296
where:
bonds (distance) C4'-P energy: -69.507
bonds (distance) P-C4' energy: -62.076
flat angles C4'-P-C4' energy: -67.895
flat angles P-C4'-P energy: -43.875
tors. eta vs tors. theta energy: -83.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -858.689065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.689065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.689065 (E_RNA)
where:
Base-Base interactions energy: -557.649
where: short stacking energy: -246.793
Base-Backbone interact. energy: 0.240
local terms energy: -301.280339
where:
bonds (distance) C4'-P energy: -69.784
bonds (distance) P-C4' energy: -61.820
flat angles C4'-P-C4' energy: -61.706
flat angles P-C4'-P energy: -44.784
tors. eta vs tors. theta energy: -63.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -807.431540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.431540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.431540 (E_RNA)
where:
Base-Base interactions energy: -507.393
where: short stacking energy: -235.648
Base-Backbone interact. energy: -0.142
local terms energy: -299.895808
where:
bonds (distance) C4'-P energy: -61.271
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -71.872
flat angles P-C4'-P energy: -30.109
tors. eta vs tors. theta energy: -73.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -727.220709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.220709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.220709 (E_RNA)
where:
Base-Base interactions energy: -440.046
where: short stacking energy: -187.709
Base-Backbone interact. energy: -1.166
local terms energy: -286.009251
where:
bonds (distance) C4'-P energy: -60.850
bonds (distance) P-C4' energy: -75.078
flat angles C4'-P-C4' energy: -64.119
flat angles P-C4'-P energy: -35.140
tors. eta vs tors. theta energy: -50.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -588.904282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.904282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.904282 (E_RNA)
where:
Base-Base interactions energy: -345.365
where: short stacking energy: -182.078
Base-Backbone interact. energy: -0.200
local terms energy: -243.339199
where:
bonds (distance) C4'-P energy: -60.232
bonds (distance) P-C4' energy: -67.147
flat angles C4'-P-C4' energy: -43.033
flat angles P-C4'-P energy: -35.067
tors. eta vs tors. theta energy: -37.860
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: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -354.158984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.158984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.158984 (E_RNA)
where:
Base-Base interactions energy: -151.889
where: short stacking energy: -113.512
Base-Backbone interact. energy: 0.256
local terms energy: -202.525933
where:
bonds (distance) C4'-P energy: -45.732
bonds (distance) P-C4' energy: -76.325
flat angles C4'-P-C4' energy: -46.748
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -298.916379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.916379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.916379 (E_RNA)
where:
Base-Base interactions energy: -104.275
where: short stacking energy: -77.647
Base-Backbone interact. energy: 6.479
local terms energy: -201.121015
where:
bonds (distance) C4'-P energy: -59.333
bonds (distance) P-C4' energy: -65.050
flat angles C4'-P-C4' energy: -56.059
flat angles P-C4'-P energy: -29.166
tors. eta vs tors. theta energy: 8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -292.642328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.642328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.642328 (E_RNA)
where:
Base-Base interactions energy: -111.513
where: short stacking energy: -77.301
Base-Backbone interact. energy: 1.425
local terms energy: -183.538222
where:
bonds (distance) C4'-P energy: -61.620
bonds (distance) P-C4' energy: -66.900
flat angles C4'-P-C4' energy: -44.155
flat angles P-C4'-P energy: -23.512
tors. eta vs tors. theta energy: 12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.983 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -258.967161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.967161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.967161 (E_RNA)
where:
Base-Base interactions energy: -81.135
where: short stacking energy: -64.811
Base-Backbone interact. energy: -1.062
local terms energy: -176.770157
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -61.042
flat angles C4'-P-C4' energy: -42.749
flat angles P-C4'-P energy: -27.167
tors. eta vs tors. theta energy: 4.154
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: 66
Temperature: 0.900000
Total energy: -989.621456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.621456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.621456 (E_RNA)
where:
Base-Base interactions energy: -664.866
where: short stacking energy: -266.439
Base-Backbone interact. energy: -0.601
local terms energy: -324.154052
where:
bonds (distance) C4'-P energy: -72.113
bonds (distance) P-C4' energy: -59.613
flat angles C4'-P-C4' energy: -68.546
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: -80.150
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: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -940.717823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.717823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.717823 (E_RNA)
where:
Base-Base interactions energy: -611.570
where: short stacking energy: -268.665
Base-Backbone interact. energy: 2.817
local terms energy: -331.965057
where:
bonds (distance) C4'-P energy: -63.902
bonds (distance) P-C4' energy: -73.413
flat angles C4'-P-C4' energy: -68.002
flat angles P-C4'-P energy: -51.437
tors. eta vs tors. theta energy: -75.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -843.863235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.863235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.863235 (E_RNA)
where:
Base-Base interactions energy: -530.817
where: short stacking energy: -234.762
Base-Backbone interact. energy: -0.372
local terms energy: -312.674243
where:
bonds (distance) C4'-P energy: -62.563
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -70.064
flat angles P-C4'-P energy: -42.621
tors. eta vs tors. theta energy: -71.066
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: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -837.956527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.956527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.956527 (E_RNA)
where:
Base-Base interactions energy: -543.223
where: short stacking energy: -240.982
Base-Backbone interact. energy: -1.350
local terms energy: -293.383538
where:
bonds (distance) C4'-P energy: -41.338
bonds (distance) P-C4' energy: -68.774
flat angles C4'-P-C4' energy: -69.979
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: -71.235
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: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -672.808700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.808700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.808700 (E_RNA)
where:
Base-Base interactions energy: -406.469
where: short stacking energy: -201.312
Base-Backbone interact. energy: -0.563
local terms energy: -265.777251
where:
bonds (distance) C4'-P energy: -52.324
bonds (distance) P-C4' energy: -66.048
flat angles C4'-P-C4' energy: -61.631
flat angles P-C4'-P energy: -38.246
tors. eta vs tors. theta energy: -47.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -653.814507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.814507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.814507 (E_RNA)
where:
Base-Base interactions energy: -396.622
where: short stacking energy: -198.953
Base-Backbone interact. energy: 4.197
local terms energy: -261.390038
where:
bonds (distance) C4'-P energy: -54.944
bonds (distance) P-C4' energy: -58.564
flat angles C4'-P-C4' energy: -63.665
flat angles P-C4'-P energy: -32.316
tors. eta vs tors. theta energy: -51.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -381.807310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.807310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.807310 (E_RNA)
where:
Base-Base interactions energy: -164.273
where: short stacking energy: -91.464
Base-Backbone interact. energy: 1.333
local terms energy: -218.866763
where:
bonds (distance) C4'-P energy: -52.717
bonds (distance) P-C4' energy: -72.314
flat angles C4'-P-C4' energy: -61.084
flat angles P-C4'-P energy: -26.997
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -328.194234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.194234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.194234 (E_RNA)
where:
Base-Base interactions energy: -114.830
where: short stacking energy: -78.405
Base-Backbone interact. energy: -0.398
local terms energy: -212.966580
where:
bonds (distance) C4'-P energy: -68.206
bonds (distance) P-C4' energy: -65.408
flat angles C4'-P-C4' energy: -61.829
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: 7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -279.880474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.880474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.880474 (E_RNA)
where:
Base-Base interactions energy: -109.622
where: short stacking energy: -68.652
Base-Backbone interact. energy: -1.633
local terms energy: -168.625459
where:
bonds (distance) C4'-P energy: -57.796
bonds (distance) P-C4' energy: -46.797
flat angles C4'-P-C4' energy: -41.919
flat angles P-C4'-P energy: -36.788
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: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -277.452936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.452936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.452936 (E_RNA)
where:
Base-Base interactions energy: -85.133
where: short stacking energy: -72.006
Base-Backbone interact. energy: -0.622
local terms energy: -191.697838
where:
bonds (distance) C4'-P energy: -52.745
bonds (distance) P-C4' energy: -58.892
flat angles C4'-P-C4' energy: -57.598
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1005.656495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.656495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.656495 (E_RNA)
where:
Base-Base interactions energy: -668.116
where: short stacking energy: -268.694
Base-Backbone interact. energy: -0.303
local terms energy: -337.237297
where:
bonds (distance) C4'-P energy: -63.895
bonds (distance) P-C4' energy: -71.825
flat angles C4'-P-C4' energy: -73.105
flat angles P-C4'-P energy: -45.987
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: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -940.627113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.627113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.627113 (E_RNA)
where:
Base-Base interactions energy: -615.388
where: short stacking energy: -259.390
Base-Backbone interact. energy: 0.041
local terms energy: -325.279715
where:
bonds (distance) C4'-P energy: -76.006
bonds (distance) P-C4' energy: -63.623
flat angles C4'-P-C4' energy: -70.614
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -70.542
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: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -891.516499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.516499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.516499 (E_RNA)
where:
Base-Base interactions energy: -562.467
where: short stacking energy: -261.068
Base-Backbone interact. energy: 0.774
local terms energy: -329.823281
where:
bonds (distance) C4'-P energy: -69.585
bonds (distance) P-C4' energy: -65.858
flat angles C4'-P-C4' energy: -72.952
flat angles P-C4'-P energy: -41.928
tors. eta vs tors. theta energy: -79.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -827.591514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.591514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.591514 (E_RNA)
where:
Base-Base interactions energy: -534.030
where: short stacking energy: -219.784
Base-Backbone interact. energy: -1.717
local terms energy: -291.844488
where:
bonds (distance) C4'-P energy: -55.746
bonds (distance) P-C4' energy: -63.265
flat angles C4'-P-C4' energy: -60.048
flat angles P-C4'-P energy: -42.036
tors. eta vs tors. theta energy: -70.750
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: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -709.953314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.953314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.953314 (E_RNA)
where:
Base-Base interactions energy: -436.680
where: short stacking energy: -196.045
Base-Backbone interact. energy: -1.672
local terms energy: -271.602090
where:
bonds (distance) C4'-P energy: -59.579
bonds (distance) P-C4' energy: -64.337
flat angles C4'-P-C4' energy: -68.906
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -45.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -628.070938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.070938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.070938 (E_RNA)
where:
Base-Base interactions energy: -383.020
where: short stacking energy: -187.747
Base-Backbone interact. energy: -0.009
local terms energy: -245.041159
where:
bonds (distance) C4'-P energy: -51.419
bonds (distance) P-C4' energy: -61.427
flat angles C4'-P-C4' energy: -57.235
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -39.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -331.283816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.283816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.283816 (E_RNA)
where:
Base-Base interactions energy: -130.230
where: short stacking energy: -111.118
Base-Backbone interact. energy: 1.300
local terms energy: -202.353921
where:
bonds (distance) C4'-P energy: -48.454
bonds (distance) P-C4' energy: -55.193
flat angles C4'-P-C4' energy: -59.578
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -339.785577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.785577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.785577 (E_RNA)
where:
Base-Base interactions energy: -155.091
where: short stacking energy: -103.904
Base-Backbone interact. energy: -1.739
local terms energy: -182.955061
where:
bonds (distance) C4'-P energy: -57.316
bonds (distance) P-C4' energy: -47.050
flat angles C4'-P-C4' energy: -46.396
flat angles P-C4'-P energy: -35.493
tors. eta vs tors. theta energy: 3.300
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: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -302.547814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.547814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.547814 (E_RNA)
where:
Base-Base interactions energy: -114.989
where: short stacking energy: -91.746
Base-Backbone interact. energy: 1.148
local terms energy: -188.706807
where:
bonds (distance) C4'-P energy: -47.030
bonds (distance) P-C4' energy: -58.677
flat angles C4'-P-C4' energy: -53.677
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -0.201
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: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -253.542550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.542550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.542550 (E_RNA)
where:
Base-Base interactions energy: -75.956
where: short stacking energy: -49.835
Base-Backbone interact. energy: 3.490
local terms energy: -181.076241
where:
bonds (distance) C4'-P energy: -61.959
bonds (distance) P-C4' energy: -61.930
flat angles C4'-P-C4' energy: -46.678
flat angles P-C4'-P energy: -33.744
tors. eta vs tors. theta energy: 23.235
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: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1017.774555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.774555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.774555 (E_RNA)
where:
Base-Base interactions energy: -698.132
where: short stacking energy: -274.713
Base-Backbone interact. energy: -2.575
local terms energy: -317.067013
where:
bonds (distance) C4'-P energy: -67.060
bonds (distance) P-C4' energy: -70.361
flat angles C4'-P-C4' energy: -51.533
flat angles P-C4'-P energy: -50.194
tors. eta vs tors. theta energy: -77.918
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: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -939.695255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.695255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.695255 (E_RNA)
where:
Base-Base interactions energy: -621.008
where: short stacking energy: -258.228
Base-Backbone interact. energy: -0.121
local terms energy: -318.565884
where:
bonds (distance) C4'-P energy: -68.530
bonds (distance) P-C4' energy: -69.446
flat angles C4'-P-C4' energy: -63.406
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -75.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -875.905182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.905182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.905182 (E_RNA)
where:
Base-Base interactions energy: -574.061
where: short stacking energy: -248.937
Base-Backbone interact. energy: -2.496
local terms energy: -299.348165
where:
bonds (distance) C4'-P energy: -61.486
bonds (distance) P-C4' energy: -54.419
flat angles C4'-P-C4' energy: -64.282
flat angles P-C4'-P energy: -45.180
tors. eta vs tors. theta energy: -73.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -776.267999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.267999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.267999 (E_RNA)
where:
Base-Base interactions energy: -493.521
where: short stacking energy: -211.586
Base-Backbone interact. energy: -0.321
local terms energy: -282.426427
where:
bonds (distance) C4'-P energy: -68.587
bonds (distance) P-C4' energy: -57.800
flat angles C4'-P-C4' energy: -58.558
flat angles P-C4'-P energy: -40.446
tors. eta vs tors. theta energy: -57.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -691.859625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.859625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.859625 (E_RNA)
where:
Base-Base interactions energy: -441.333
where: short stacking energy: -193.632
Base-Backbone interact. energy: -0.029
local terms energy: -250.497928
where:
bonds (distance) C4'-P energy: -65.122
bonds (distance) P-C4' energy: -59.022
flat angles C4'-P-C4' energy: -47.892
flat angles P-C4'-P energy: -32.961
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: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -673.678013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.678013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.678013 (E_RNA)
where:
Base-Base interactions energy: -401.704
where: short stacking energy: -186.740
Base-Backbone interact. energy: -1.943
local terms energy: -270.031806
where:
bonds (distance) C4'-P energy: -57.044
bonds (distance) P-C4' energy: -56.041
flat angles C4'-P-C4' energy: -64.575
flat angles P-C4'-P energy: -44.572
tors. eta vs tors. theta energy: -47.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -341.838042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.838042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.838042 (E_RNA)
where:
Base-Base interactions energy: -139.539
where: short stacking energy: -112.532
Base-Backbone interact. energy: -0.927
local terms energy: -201.371574
where:
bonds (distance) C4'-P energy: -60.402
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -63.635
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: 1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -302.177722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.177722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.177722 (E_RNA)
where:
Base-Base interactions energy: -102.120
where: short stacking energy: -75.720
Base-Backbone interact. energy: -1.209
local terms energy: -198.848734
where:
bonds (distance) C4'-P energy: -58.373
bonds (distance) P-C4' energy: -60.519
flat angles C4'-P-C4' energy: -46.387
flat angles P-C4'-P energy: -33.108
tors. eta vs tors. theta energy: -0.462
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: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -284.262946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.262946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.262946 (E_RNA)
where:
Base-Base interactions energy: -89.585
where: short stacking energy: -48.279
Base-Backbone interact. energy: 1.509
local terms energy: -196.186766
where:
bonds (distance) C4'-P energy: -51.497
bonds (distance) P-C4' energy: -53.229
flat angles C4'-P-C4' energy: -61.162
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: 10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -266.358120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.358120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.358120 (E_RNA)
where:
Base-Base interactions energy: -96.607
where: short stacking energy: -54.472
Base-Backbone interact. energy: 1.928
local terms energy: -171.678713
where:
bonds (distance) C4'-P energy: -61.276
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -52.559
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: 13.826
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: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1003.480364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.480364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.480364 (E_RNA)
where:
Base-Base interactions energy: -672.536
where: short stacking energy: -263.423
Base-Backbone interact. energy: -0.813
local terms energy: -330.130854
where:
bonds (distance) C4'-P energy: -61.606
bonds (distance) P-C4' energy: -72.428
flat angles C4'-P-C4' energy: -70.325
flat angles P-C4'-P energy: -44.334
tors. eta vs tors. theta energy: -81.438
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: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -918.318228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.318228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.318228 (E_RNA)
where:
Base-Base interactions energy: -586.465
where: short stacking energy: -241.139
Base-Backbone interact. energy: -1.783
local terms energy: -330.070741
where:
bonds (distance) C4'-P energy: -76.135
bonds (distance) P-C4' energy: -71.643
flat angles C4'-P-C4' energy: -77.407
flat angles P-C4'-P energy: -35.844
tors. eta vs tors. theta energy: -69.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -921.040774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.040774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.040774 (E_RNA)
where:
Base-Base interactions energy: -588.920
where: short stacking energy: -266.711
Base-Backbone interact. energy: -0.045
local terms energy: -332.075599
where:
bonds (distance) C4'-P energy: -58.662
bonds (distance) P-C4' energy: -69.807
flat angles C4'-P-C4' energy: -71.973
flat angles P-C4'-P energy: -49.346
tors. eta vs tors. theta energy: -82.288
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: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -781.623107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.623107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.623107 (E_RNA)
where:
Base-Base interactions energy: -478.460
where: short stacking energy: -225.672
Base-Backbone interact. energy: -1.469
local terms energy: -301.694372
where:
bonds (distance) C4'-P energy: -66.152
bonds (distance) P-C4' energy: -70.172
flat angles C4'-P-C4' energy: -72.619
flat angles P-C4'-P energy: -36.806
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: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -702.274894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.274894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.274894 (E_RNA)
where:
Base-Base interactions energy: -419.513
where: short stacking energy: -221.214
Base-Backbone interact. energy: -1.184
local terms energy: -281.578150
where:
bonds (distance) C4'-P energy: -62.396
bonds (distance) P-C4' energy: -58.292
flat angles C4'-P-C4' energy: -63.352
flat angles P-C4'-P energy: -40.675
tors. eta vs tors. theta energy: -56.863
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: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -637.375801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.375801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.375801 (E_RNA)
where:
Base-Base interactions energy: -386.695
where: short stacking energy: -175.439
Base-Backbone interact. energy: -1.437
local terms energy: -249.244041
where:
bonds (distance) C4'-P energy: -59.628
bonds (distance) P-C4' energy: -58.427
flat angles C4'-P-C4' energy: -45.323
flat angles P-C4'-P energy: -35.958
tors. eta vs tors. theta energy: -49.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -330.683588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.683588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.683588 (E_RNA)
where:
Base-Base interactions energy: -119.456
where: short stacking energy: -96.573
Base-Backbone interact. energy: -1.577
local terms energy: -209.650345
where:
bonds (distance) C4'-P energy: -60.274
bonds (distance) P-C4' energy: -60.155
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -37.075
tors. eta vs tors. theta energy: -4.761
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: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -317.420366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.420366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.420366 (E_RNA)
where:
Base-Base interactions energy: -122.599
where: short stacking energy: -81.477
Base-Backbone interact. energy: 0.689
local terms energy: -195.510397
where:
bonds (distance) C4'-P energy: -51.264
bonds (distance) P-C4' energy: -66.162
flat angles C4'-P-C4' energy: -44.943
flat angles P-C4'-P energy: -36.073
tors. eta vs tors. theta energy: 2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -292.624939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.624939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.624939 (E_RNA)
where:
Base-Base interactions energy: -102.098
where: short stacking energy: -75.513
Base-Backbone interact. energy: -0.418
local terms energy: -190.108817
where:
bonds (distance) C4'-P energy: -68.618
bonds (distance) P-C4' energy: -50.027
flat angles C4'-P-C4' energy: -48.682
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: 10.817
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: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -265.876454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.876454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.876454 (E_RNA)
where:
Base-Base interactions energy: -97.002
where: short stacking energy: -82.591
Base-Backbone interact. energy: 7.426
local terms energy: -176.301166
where:
bonds (distance) C4'-P energy: -61.048
bonds (distance) P-C4' energy: -64.504
flat angles C4'-P-C4' energy: -45.539
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: 13.051
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: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1008.228335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.228335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.228335 (E_RNA)
where:
Base-Base interactions energy: -687.500
where: short stacking energy: -271.852
Base-Backbone interact. energy: -2.144
local terms energy: -318.583929
where:
bonds (distance) C4'-P energy: -62.688
bonds (distance) P-C4' energy: -67.366
flat angles C4'-P-C4' energy: -70.175
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -81.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -924.075857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.075857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.075857 (E_RNA)
where:
Base-Base interactions energy: -606.240
where: short stacking energy: -255.472
Base-Backbone interact. energy: -0.695
local terms energy: -317.140311
where:
bonds (distance) C4'-P energy: -63.098
bonds (distance) P-C4' energy: -65.812
flat angles C4'-P-C4' energy: -61.452
flat angles P-C4'-P energy: -53.560
tors. eta vs tors. theta energy: -73.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -928.023166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.023166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.023166 (E_RNA)
where:
Base-Base interactions energy: -597.771
where: short stacking energy: -278.432
Base-Backbone interact. energy: -0.411
local terms energy: -329.840921
where:
bonds (distance) C4'-P energy: -57.127
bonds (distance) P-C4' energy: -64.726
flat angles C4'-P-C4' energy: -70.370
flat angles P-C4'-P energy: -46.451
tors. eta vs tors. theta energy: -91.167
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: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -805.868454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.868454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.868454 (E_RNA)
where:
Base-Base interactions energy: -518.173
where: short stacking energy: -219.671
Base-Backbone interact. energy: -3.041
local terms energy: -284.654429
where:
bonds (distance) C4'-P energy: -59.378
bonds (distance) P-C4' energy: -63.129
flat angles C4'-P-C4' energy: -55.911
flat angles P-C4'-P energy: -48.310
tors. eta vs tors. theta energy: -57.925
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: 70
Temperature: 1.100000
Total energy: -661.808282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.808282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.808282 (E_RNA)
where:
Base-Base interactions energy: -397.949
where: short stacking energy: -181.034
Base-Backbone interact. energy: 1.084
local terms energy: -264.943582
where:
bonds (distance) C4'-P energy: -61.793
bonds (distance) P-C4' energy: -64.624
flat angles C4'-P-C4' energy: -63.025
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -45.956
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: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -619.095318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.095318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.095318 (E_RNA)
where:
Base-Base interactions energy: -374.815
where: short stacking energy: -166.110
Base-Backbone interact. energy: 1.582
local terms energy: -245.862848
where:
bonds (distance) C4'-P energy: -60.336
bonds (distance) P-C4' energy: -59.996
flat angles C4'-P-C4' energy: -56.006
flat angles P-C4'-P energy: -34.744
tors. eta vs tors. theta energy: -34.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -412.408879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.408879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.408879 (E_RNA)
where:
Base-Base interactions energy: -187.307
where: short stacking energy: -83.001
Base-Backbone interact. energy: -0.748
local terms energy: -224.353798
where:
bonds (distance) C4'-P energy: -55.713
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -58.868
flat angles P-C4'-P energy: -41.684
tors. eta vs tors. theta energy: -2.807
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: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -295.615144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.615144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.615144 (E_RNA)
where:
Base-Base interactions energy: -95.795
where: short stacking energy: -77.256
Base-Backbone interact. energy: -1.151
local terms energy: -198.669170
where:
bonds (distance) C4'-P energy: -65.651
bonds (distance) P-C4' energy: -67.012
flat angles C4'-P-C4' energy: -51.153
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: 3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -279.611414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.611414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.611414 (E_RNA)
where:
Base-Base interactions energy: -91.940
where: short stacking energy: -68.270
Base-Backbone interact. energy: -0.399
local terms energy: -187.272834
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -57.224
flat angles C4'-P-C4' energy: -46.185
flat angles P-C4'-P energy: -38.259
tors. eta vs tors. theta energy: 3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -265.232351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.232351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.232351 (E_RNA)
where:
Base-Base interactions energy: -115.326
where: short stacking energy: -94.355
Base-Backbone interact. energy: -1.312
local terms energy: -148.593490
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -45.316
flat angles C4'-P-C4' energy: -41.556
flat angles P-C4'-P energy: -27.276
tors. eta vs tors. theta energy: 11.176
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: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1002.660563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.660563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.660563 (E_RNA)
where:
Base-Base interactions energy: -667.295
where: short stacking energy: -278.659
Base-Backbone interact. energy: -2.302
local terms energy: -333.063430
where:
bonds (distance) C4'-P energy: -68.892
bonds (distance) P-C4' energy: -66.380
flat angles C4'-P-C4' energy: -73.765
flat angles P-C4'-P energy: -44.948
tors. eta vs tors. theta energy: -79.079
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: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -959.362229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.362229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.362229 (E_RNA)
where:
Base-Base interactions energy: -625.388
where: short stacking energy: -288.300
Base-Backbone interact. energy: 0.197
local terms energy: -334.170872
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -63.300
flat angles C4'-P-C4' energy: -77.595
flat angles P-C4'-P energy: -54.466
tors. eta vs tors. theta energy: -88.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -858.527595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.527595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.527595 (E_RNA)
where:
Base-Base interactions energy: -563.967
where: short stacking energy: -243.424
Base-Backbone interact. energy: -0.438
local terms energy: -294.122780
where:
bonds (distance) C4'-P energy: -60.538
bonds (distance) P-C4' energy: -67.492
flat angles C4'-P-C4' energy: -66.532
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: -58.228
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: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -813.701102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.701102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.701102 (E_RNA)
where:
Base-Base interactions energy: -522.266
where: short stacking energy: -233.262
Base-Backbone interact. energy: 0.104
local terms energy: -291.539190
where:
bonds (distance) C4'-P energy: -56.979
bonds (distance) P-C4' energy: -65.628
flat angles C4'-P-C4' energy: -62.800
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -66.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -653.987767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.987767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.987767 (E_RNA)
where:
Base-Base interactions energy: -384.948
where: short stacking energy: -161.620
Base-Backbone interact. energy: -1.784
local terms energy: -267.256250
where:
bonds (distance) C4'-P energy: -67.558
bonds (distance) P-C4' energy: -58.705
flat angles C4'-P-C4' energy: -59.952
flat angles P-C4'-P energy: -44.887
tors. eta vs tors. theta energy: -36.154
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: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -600.818568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.818568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.818568 (E_RNA)
where:
Base-Base interactions energy: -325.002
where: short stacking energy: -156.163
Base-Backbone interact. energy: -0.450
local terms energy: -275.366169
where:
bonds (distance) C4'-P energy: -61.396
bonds (distance) P-C4' energy: -64.174
flat angles C4'-P-C4' energy: -60.352
flat angles P-C4'-P energy: -46.684
tors. eta vs tors. theta energy: -42.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -381.969111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.969111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.969111 (E_RNA)
where:
Base-Base interactions energy: -168.535
where: short stacking energy: -86.986
Base-Backbone interact. energy: -1.364
local terms energy: -212.070998
where:
bonds (distance) C4'-P energy: -54.581
bonds (distance) P-C4' energy: -71.231
flat angles C4'-P-C4' energy: -53.885
flat angles P-C4'-P energy: -34.356
tors. eta vs tors. theta energy: 1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -276.916514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.916514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.916514 (E_RNA)
where:
Base-Base interactions energy: -84.104
where: short stacking energy: -75.084
Base-Backbone interact. energy: -1.868
local terms energy: -190.944409
where:
bonds (distance) C4'-P energy: -55.439
bonds (distance) P-C4' energy: -54.964
flat angles C4'-P-C4' energy: -47.469
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -285.765002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.765002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.765002 (E_RNA)
where:
Base-Base interactions energy: -91.433
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.969
local terms energy: -193.362946
where:
bonds (distance) C4'-P energy: -58.104
bonds (distance) P-C4' energy: -65.217
flat angles C4'-P-C4' energy: -47.313
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: 9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -258.662931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.662931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.662931 (E_RNA)
where:
Base-Base interactions energy: -85.652
where: short stacking energy: -71.670
Base-Backbone interact. energy: 1.103
local terms energy: -174.114188
where:
bonds (distance) C4'-P energy: -58.332
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: 10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1020.453705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.453705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.453705 (E_RNA)
where:
Base-Base interactions energy: -677.381
where: short stacking energy: -293.734
Base-Backbone interact. energy: -3.229
local terms energy: -339.843833
where:
bonds (distance) C4'-P energy: -68.075
bonds (distance) P-C4' energy: -58.085
flat angles C4'-P-C4' energy: -66.008
flat angles P-C4'-P energy: -54.871
tors. eta vs tors. theta energy: -92.806
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: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -980.634726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.634726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.634726 (E_RNA)
where:
Base-Base interactions energy: -646.653
where: short stacking energy: -269.322
Base-Backbone interact. energy: -0.565
local terms energy: -333.416141
where:
bonds (distance) C4'-P energy: -56.113
bonds (distance) P-C4' energy: -67.890
flat angles C4'-P-C4' energy: -71.143
flat angles P-C4'-P energy: -52.600
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: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -872.547122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.547122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.547122 (E_RNA)
where:
Base-Base interactions energy: -573.879
where: short stacking energy: -239.800
Base-Backbone interact. energy: -0.891
local terms energy: -297.777041
where:
bonds (distance) C4'-P energy: -59.874
bonds (distance) P-C4' energy: -59.347
flat angles C4'-P-C4' energy: -66.241
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -67.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -795.422647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.422647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.422647 (E_RNA)
where:
Base-Base interactions energy: -513.312
where: short stacking energy: -247.315
Base-Backbone interact. energy: -0.735
local terms energy: -281.375680
where:
bonds (distance) C4'-P energy: -49.438
bonds (distance) P-C4' energy: -59.069
flat angles C4'-P-C4' energy: -61.225
flat angles P-C4'-P energy: -45.067
tors. eta vs tors. theta energy: -66.577
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -721.016469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.016469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.016469 (E_RNA)
where:
Base-Base interactions energy: -455.411
where: short stacking energy: -180.618
Base-Backbone interact. energy: -0.745
local terms energy: -264.860760
where:
bonds (distance) C4'-P energy: -58.838
bonds (distance) P-C4' energy: -68.791
flat angles C4'-P-C4' energy: -44.360
flat angles P-C4'-P energy: -39.402
tors. eta vs tors. theta energy: -53.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -577.465462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.465462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.465462 (E_RNA)
where:
Base-Base interactions energy: -328.740
where: short stacking energy: -177.148
Base-Backbone interact. energy: 2.262
local terms energy: -250.987634
where:
bonds (distance) C4'-P energy: -59.822
bonds (distance) P-C4' energy: -59.555
flat angles C4'-P-C4' energy: -65.861
flat angles P-C4'-P energy: -32.952
tors. eta vs tors. theta energy: -32.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -358.900143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.900143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.900143 (E_RNA)
where:
Base-Base interactions energy: -154.164
where: short stacking energy: -94.078
Base-Backbone interact. energy: -0.042
local terms energy: -204.694285
where:
bonds (distance) C4'-P energy: -53.654
bonds (distance) P-C4' energy: -65.347
flat angles C4'-P-C4' energy: -52.889
flat angles P-C4'-P energy: -33.848
tors. eta vs tors. theta energy: 1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -300.609931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.609931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.609931 (E_RNA)
where:
Base-Base interactions energy: -95.088
where: short stacking energy: -84.200
Base-Backbone interact. energy: 3.284
local terms energy: -208.805238
where:
bonds (distance) C4'-P energy: -53.289
bonds (distance) P-C4' energy: -60.364
flat angles C4'-P-C4' energy: -54.857
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: -2.336
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: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -286.129335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.129335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.129335 (E_RNA)
where:
Base-Base interactions energy: -86.247
where: short stacking energy: -66.179
Base-Backbone interact. energy: 1.835
local terms energy: -201.717426
where:
bonds (distance) C4'-P energy: -53.645
bonds (distance) P-C4' energy: -66.143
flat angles C4'-P-C4' energy: -49.233
flat angles P-C4'-P energy: -41.253
tors. eta vs tors. theta energy: 8.557
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: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -259.442000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.442000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.442000 (E_RNA)
where:
Base-Base interactions energy: -87.810
where: short stacking energy: -72.569
Base-Backbone interact. energy: 0.256
local terms energy: -171.887457
where:
bonds (distance) C4'-P energy: -59.005
bonds (distance) P-C4' energy: -52.189
flat angles C4'-P-C4' energy: -55.006
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: 15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1040.812904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.812904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.812904 (E_RNA)
where:
Base-Base interactions energy: -675.102
where: short stacking energy: -306.751
Base-Backbone interact. energy: -0.519
local terms energy: -365.191205
where:
bonds (distance) C4'-P energy: -76.246
bonds (distance) P-C4' energy: -62.725
flat angles C4'-P-C4' energy: -71.996
flat angles P-C4'-P energy: -56.787
tors. eta vs tors. theta energy: -97.438
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: 73
Temperature: 0.950000
Total energy: -973.297269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.297269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.297269 (E_RNA)
where:
Base-Base interactions energy: -653.914
where: short stacking energy: -273.316
Base-Backbone interact. energy: -1.910
local terms energy: -317.473383
where:
bonds (distance) C4'-P energy: -65.457
bonds (distance) P-C4' energy: -60.573
flat angles C4'-P-C4' energy: -71.902
flat angles P-C4'-P energy: -43.344
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: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -881.697768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.697768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.697768 (E_RNA)
where:
Base-Base interactions energy: -613.809
where: short stacking energy: -247.397
Base-Backbone interact. energy: -1.758
local terms energy: -266.131099
where:
bonds (distance) C4'-P energy: -47.928
bonds (distance) P-C4' energy: -56.965
flat angles C4'-P-C4' energy: -65.933
flat angles P-C4'-P energy: -30.351
tors. eta vs tors. theta energy: -64.953
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: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -788.715951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.715951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.715951 (E_RNA)
where:
Base-Base interactions energy: -496.767
where: short stacking energy: -227.032
Base-Backbone interact. energy: -1.412
local terms energy: -290.536970
where:
bonds (distance) C4'-P energy: -64.815
bonds (distance) P-C4' energy: -62.160
flat angles C4'-P-C4' energy: -70.352
flat angles P-C4'-P energy: -31.560
tors. eta vs tors. theta energy: -61.651
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: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -692.388453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.388453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.388453 (E_RNA)
where:
Base-Base interactions energy: -442.298
where: short stacking energy: -194.036
Base-Backbone interact. energy: -1.536
local terms energy: -248.553973
where:
bonds (distance) C4'-P energy: -49.813
bonds (distance) P-C4' energy: -53.814
flat angles C4'-P-C4' energy: -51.579
flat angles P-C4'-P energy: -49.485
tors. eta vs tors. theta energy: -43.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -588.060118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.060118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.060118 (E_RNA)
where:
Base-Base interactions energy: -323.273
where: short stacking energy: -158.651
Base-Backbone interact. energy: 1.570
local terms energy: -266.357317
where:
bonds (distance) C4'-P energy: -58.496
bonds (distance) P-C4' energy: -63.240
flat angles C4'-P-C4' energy: -59.084
flat angles P-C4'-P energy: -42.550
tors. eta vs tors. theta energy: -42.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -381.533419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.533419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.533419 (E_RNA)
where:
Base-Base interactions energy: -156.734
where: short stacking energy: -113.629
Base-Backbone interact. energy: -1.193
local terms energy: -224.224660
where:
bonds (distance) C4'-P energy: -57.898
bonds (distance) P-C4' energy: -64.994
flat angles C4'-P-C4' energy: -61.545
flat angles P-C4'-P energy: -37.127
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.618 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -307.279488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.279488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.279488 (E_RNA)
where:
Base-Base interactions energy: -97.275
where: short stacking energy: -59.905
Base-Backbone interact. energy: 1.004
local terms energy: -211.008663
where:
bonds (distance) C4'-P energy: -62.925
bonds (distance) P-C4' energy: -64.636
flat angles C4'-P-C4' energy: -55.968
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: 0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -289.758193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.758193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.758193 (E_RNA)
where:
Base-Base interactions energy: -99.512
where: short stacking energy: -73.470
Base-Backbone interact. energy: 1.585
local terms energy: -191.830764
where:
bonds (distance) C4'-P energy: -47.363
bonds (distance) P-C4' energy: -57.531
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -47.783
tors. eta vs tors. theta energy: 12.918
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: 73
Temperature: 1.350000
Total energy: -251.118116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.118116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.118116 (E_RNA)
where:
Base-Base interactions energy: -92.961
where: short stacking energy: -67.381
Base-Backbone interact. energy: 1.833
local terms energy: -159.989867
where:
bonds (distance) C4'-P energy: -48.349
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -40.159
flat angles P-C4'-P energy: -36.661
tors. eta vs tors. theta energy: 15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1033.484768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.484768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.484768 (E_RNA)
where:
Base-Base interactions energy: -674.244
where: short stacking energy: -301.690
Base-Backbone interact. energy: -0.213
local terms energy: -359.027711
where:
bonds (distance) C4'-P energy: -76.600
bonds (distance) P-C4' energy: -70.858
flat angles C4'-P-C4' energy: -71.724
flat angles P-C4'-P energy: -48.868
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: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -952.777304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.777304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.777304 (E_RNA)
where:
Base-Base interactions energy: -637.418
where: short stacking energy: -244.466
Base-Backbone interact. energy: -0.465
local terms energy: -314.894415
where:
bonds (distance) C4'-P energy: -69.805
bonds (distance) P-C4' energy: -59.017
flat angles C4'-P-C4' energy: -69.160
flat angles P-C4'-P energy: -45.793
tors. eta vs tors. theta energy: -71.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -884.794188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.794188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.794188 (E_RNA)
where:
Base-Base interactions energy: -559.839
where: short stacking energy: -248.918
Base-Backbone interact. energy: -1.034
local terms energy: -323.921480
where:
bonds (distance) C4'-P energy: -79.296
bonds (distance) P-C4' energy: -69.332
flat angles C4'-P-C4' energy: -65.612
flat angles P-C4'-P energy: -44.614
tors. eta vs tors. theta energy: -65.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -790.575988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.575988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.575988 (E_RNA)
where:
Base-Base interactions energy: -499.476
where: short stacking energy: -217.855
Base-Backbone interact. energy: -2.583
local terms energy: -288.516205
where:
bonds (distance) C4'-P energy: -61.910
bonds (distance) P-C4' energy: -60.273
flat angles C4'-P-C4' energy: -64.271
flat angles P-C4'-P energy: -37.464
tors. eta vs tors. theta energy: -64.599
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -726.405272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.405272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.405272 (E_RNA)
where:
Base-Base interactions energy: -439.201
where: short stacking energy: -202.170
Base-Backbone interact. energy: 0.185
local terms energy: -287.389508
where:
bonds (distance) C4'-P energy: -59.834
bonds (distance) P-C4' energy: -66.315
flat angles C4'-P-C4' energy: -66.180
flat angles P-C4'-P energy: -40.187
tors. eta vs tors. theta energy: -54.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -608.475697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.475697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.475697 (E_RNA)
where:
Base-Base interactions energy: -361.103
where: short stacking energy: -166.936
Base-Backbone interact. energy: 0.779
local terms energy: -248.152222
where:
bonds (distance) C4'-P energy: -62.758
bonds (distance) P-C4' energy: -61.645
flat angles C4'-P-C4' energy: -65.222
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -31.246
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: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -398.644335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.644335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.644335 (E_RNA)
where:
Base-Base interactions energy: -194.427
where: short stacking energy: -117.258
Base-Backbone interact. energy: -0.365
local terms energy: -203.851708
where:
bonds (distance) C4'-P energy: -35.488
bonds (distance) P-C4' energy: -61.114
flat angles C4'-P-C4' energy: -65.071
flat angles P-C4'-P energy: -36.537
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: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -295.627041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.627041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.627041 (E_RNA)
where:
Base-Base interactions energy: -82.583
where: short stacking energy: -77.362
Base-Backbone interact. energy: -2.792
local terms energy: -211.089541
where:
bonds (distance) C4'-P energy: -54.747
bonds (distance) P-C4' energy: -64.953
flat angles C4'-P-C4' energy: -57.341
flat angles P-C4'-P energy: -29.911
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.837 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -277.330191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.330191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.330191 (E_RNA)
where:
Base-Base interactions energy: -104.389
where: short stacking energy: -85.722
Base-Backbone interact. energy: -0.439
local terms energy: -172.502159
where:
bonds (distance) C4'-P energy: -56.054
bonds (distance) P-C4' energy: -47.685
flat angles C4'-P-C4' energy: -44.101
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: 0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -272.482838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.482838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.482838 (E_RNA)
where:
Base-Base interactions energy: -99.054
where: short stacking energy: -64.354
Base-Backbone interact. energy: -1.314
local terms energy: -172.114504
where:
bonds (distance) C4'-P energy: -58.993
bonds (distance) P-C4' energy: -57.343
flat angles C4'-P-C4' energy: -44.492
flat angles P-C4'-P energy: -28.835
tors. eta vs tors. theta energy: 17.548
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: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1030.515693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.515693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.515693 (E_RNA)
where:
Base-Base interactions energy: -688.642
where: short stacking energy: -312.020
Base-Backbone interact. energy: -0.143
local terms energy: -341.730542
where:
bonds (distance) C4'-P energy: -62.076
bonds (distance) P-C4' energy: -63.504
flat angles C4'-P-C4' energy: -68.244
flat angles P-C4'-P energy: -47.999
tors. eta vs tors. theta energy: -99.907
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: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -982.073630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.073630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.073630 (E_RNA)
where:
Base-Base interactions energy: -667.143
where: short stacking energy: -262.158
Base-Backbone interact. energy: -3.727
local terms energy: -311.203542
where:
bonds (distance) C4'-P energy: -65.391
bonds (distance) P-C4' energy: -61.641
flat angles C4'-P-C4' energy: -59.939
flat angles P-C4'-P energy: -47.858
tors. eta vs tors. theta energy: -76.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -888.338982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.338982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.338982 (E_RNA)
where:
Base-Base interactions energy: -590.973
where: short stacking energy: -245.833
Base-Backbone interact. energy: 1.564
local terms energy: -298.930219
where:
bonds (distance) C4'-P energy: -55.310
bonds (distance) P-C4' energy: -62.726
flat angles C4'-P-C4' energy: -69.064
flat angles P-C4'-P energy: -43.841
tors. eta vs tors. theta energy: -67.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -812.618613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.618613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.618613 (E_RNA)
where:
Base-Base interactions energy: -519.000
where: short stacking energy: -215.505
Base-Backbone interact. energy: 2.585
local terms energy: -296.204431
where:
bonds (distance) C4'-P energy: -60.208
bonds (distance) P-C4' energy: -68.854
flat angles C4'-P-C4' energy: -56.872
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: -68.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -729.111196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.111196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.111196 (E_RNA)
where:
Base-Base interactions energy: -463.701
where: short stacking energy: -201.737
Base-Backbone interact. energy: 0.424
local terms energy: -265.834323
where:
bonds (distance) C4'-P energy: -59.677
bonds (distance) P-C4' energy: -61.598
flat angles C4'-P-C4' energy: -65.843
flat angles P-C4'-P energy: -33.745
tors. eta vs tors. theta energy: -44.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -591.256919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.256919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.256919 (E_RNA)
where:
Base-Base interactions energy: -320.733
where: short stacking energy: -173.505
Base-Backbone interact. energy: -1.072
local terms energy: -269.452601
where:
bonds (distance) C4'-P energy: -55.951
bonds (distance) P-C4' energy: -58.009
flat angles C4'-P-C4' energy: -73.898
flat angles P-C4'-P energy: -39.033
tors. eta vs tors. theta energy: -42.562
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: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -367.207606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.207606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.207606 (E_RNA)
where:
Base-Base interactions energy: -161.974
where: short stacking energy: -100.438
Base-Backbone interact. energy: -0.852
local terms energy: -204.381504
where:
bonds (distance) C4'-P energy: -58.932
bonds (distance) P-C4' energy: -53.013
flat angles C4'-P-C4' energy: -54.653
flat angles P-C4'-P energy: -29.482
tors. eta vs tors. theta energy: -8.301
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: 75
Temperature: 1.250000
Total energy: -306.305339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.305339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.305339 (E_RNA)
where:
Base-Base interactions energy: -115.000
where: short stacking energy: -80.711
Base-Backbone interact. energy: -1.877
local terms energy: -189.428332
where:
bonds (distance) C4'-P energy: -62.851
bonds (distance) P-C4' energy: -66.840
flat angles C4'-P-C4' energy: -50.780
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: 11.637
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: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -304.359810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.359810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.359810 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -72.513
Base-Backbone interact. energy: -0.936
local terms energy: -176.377755
where:
bonds (distance) C4'-P energy: -45.662
bonds (distance) P-C4' energy: -58.340
flat angles C4'-P-C4' energy: -47.240
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -272.255714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.255714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.255714 (E_RNA)
where:
Base-Base interactions energy: -105.185
where: short stacking energy: -60.552
Base-Backbone interact. energy: -1.828
local terms energy: -165.242694
where:
bonds (distance) C4'-P energy: -57.832
bonds (distance) P-C4' energy: -54.386
flat angles C4'-P-C4' energy: -53.819
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: 13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1047.848184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.848184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.848184 (E_RNA)
where:
Base-Base interactions energy: -687.849
where: short stacking energy: -310.756
Base-Backbone interact. energy: -0.462
local terms energy: -359.536737
where:
bonds (distance) C4'-P energy: -61.733
bonds (distance) P-C4' energy: -69.241
flat angles C4'-P-C4' energy: -72.696
flat angles P-C4'-P energy: -53.828
tors. eta vs tors. theta energy: -102.038
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: 76
Temperature: 0.950000
Total energy: -1002.810505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.810505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.810505 (E_RNA)
where:
Base-Base interactions energy: -668.436
where: short stacking energy: -270.448
Base-Backbone interact. energy: -2.020
local terms energy: -332.354376
where:
bonds (distance) C4'-P energy: -62.335
bonds (distance) P-C4' energy: -71.029
flat angles C4'-P-C4' energy: -68.883
flat angles P-C4'-P energy: -46.872
tors. eta vs tors. theta energy: -83.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -914.267097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.267097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.267097 (E_RNA)
where:
Base-Base interactions energy: -598.813
where: short stacking energy: -258.536
Base-Backbone interact. energy: 2.165
local terms energy: -317.619034
where:
bonds (distance) C4'-P energy: -66.893
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -80.232
flat angles P-C4'-P energy: -48.115
tors. eta vs tors. theta energy: -67.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -814.484342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.484342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.484342 (E_RNA)
where:
Base-Base interactions energy: -530.545
where: short stacking energy: -236.634
Base-Backbone interact. energy: -1.641
local terms energy: -282.298877
where:
bonds (distance) C4'-P energy: -62.667
bonds (distance) P-C4' energy: -56.447
flat angles C4'-P-C4' energy: -56.904
flat angles P-C4'-P energy: -37.881
tors. eta vs tors. theta energy: -68.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -781.663769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.663769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.663769 (E_RNA)
where:
Base-Base interactions energy: -493.551
where: short stacking energy: -225.343
Base-Backbone interact. energy: -0.481
local terms energy: -287.631573
where:
bonds (distance) C4'-P energy: -59.445
bonds (distance) P-C4' energy: -59.163
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -43.952
tors. eta vs tors. theta energy: -71.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -594.248465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.248465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.248465 (E_RNA)
where:
Base-Base interactions energy: -339.384
where: short stacking energy: -168.172
Base-Backbone interact. energy: -1.257
local terms energy: -253.607363
where:
bonds (distance) C4'-P energy: -56.176
bonds (distance) P-C4' energy: -64.256
flat angles C4'-P-C4' energy: -55.901
flat angles P-C4'-P energy: -40.385
tors. eta vs tors. theta energy: -36.890
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: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -382.207801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.207801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.207801 (E_RNA)
where:
Base-Base interactions energy: -170.395
where: short stacking energy: -91.133
Base-Backbone interact. energy: 2.708
local terms energy: -214.521125
where:
bonds (distance) C4'-P energy: -44.066
bonds (distance) P-C4' energy: -69.306
flat angles C4'-P-C4' energy: -55.692
flat angles P-C4'-P energy: -42.879
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -304.134386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.134386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.134386 (E_RNA)
where:
Base-Base interactions energy: -103.010
where: short stacking energy: -81.265
Base-Backbone interact. energy: -1.838
local terms energy: -199.286139
where:
bonds (distance) C4'-P energy: -56.062
bonds (distance) P-C4' energy: -65.045
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -276.473908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.473908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.473908 (E_RNA)
where:
Base-Base interactions energy: -94.904
where: short stacking energy: -58.011
Base-Backbone interact. energy: 0.554
local terms energy: -182.124216
where:
bonds (distance) C4'-P energy: -52.695
bonds (distance) P-C4' energy: -70.572
flat angles C4'-P-C4' energy: -49.649
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: 13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -249.002863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.002863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.002863 (E_RNA)
where:
Base-Base interactions energy: -86.746
where: short stacking energy: -66.352
Base-Backbone interact. energy: 0.807
local terms energy: -163.063913
where:
bonds (distance) C4'-P energy: -40.988
bonds (distance) P-C4' energy: -53.042
flat angles C4'-P-C4' energy: -55.594
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: 12.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1052.103434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.103434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.103434 (E_RNA)
where:
Base-Base interactions energy: -701.126
where: short stacking energy: -288.015
Base-Backbone interact. energy: -0.860
local terms energy: -350.117293
where:
bonds (distance) C4'-P energy: -65.684
bonds (distance) P-C4' energy: -62.738
flat angles C4'-P-C4' energy: -74.253
flat angles P-C4'-P energy: -47.727
tors. eta vs tors. theta energy: -99.714
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: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -947.104564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.104564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.104564 (E_RNA)
where:
Base-Base interactions energy: -620.586
where: short stacking energy: -244.144
Base-Backbone interact. energy: -0.793
local terms energy: -325.725750
where:
bonds (distance) C4'-P energy: -71.675
bonds (distance) P-C4' energy: -65.031
flat angles C4'-P-C4' energy: -66.415
flat angles P-C4'-P energy: -49.164
tors. eta vs tors. theta energy: -73.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -966.394753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.394753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.394753 (E_RNA)
where:
Base-Base interactions energy: -658.428
where: short stacking energy: -268.739
Base-Backbone interact. energy: -1.649
local terms energy: -306.317934
where:
bonds (distance) C4'-P energy: -64.332
bonds (distance) P-C4' energy: -71.440
flat angles C4'-P-C4' energy: -57.919
flat angles P-C4'-P energy: -34.444
tors. eta vs tors. theta energy: -78.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -859.002154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.002154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.002154 (E_RNA)
where:
Base-Base interactions energy: -550.283
where: short stacking energy: -241.350
Base-Backbone interact. energy: -2.109
local terms energy: -306.610844
where:
bonds (distance) C4'-P energy: -62.068
bonds (distance) P-C4' energy: -71.665
flat angles C4'-P-C4' energy: -70.730
flat angles P-C4'-P energy: -32.379
tors. eta vs tors. theta energy: -69.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -750.374942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.374942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.374942 (E_RNA)
where:
Base-Base interactions energy: -475.362
where: short stacking energy: -199.301
Base-Backbone interact. energy: -1.808
local terms energy: -273.205574
where:
bonds (distance) C4'-P energy: -63.589
bonds (distance) P-C4' energy: -64.338
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -40.438
tors. eta vs tors. theta energy: -53.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -612.361860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.361860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.361860 (E_RNA)
where:
Base-Base interactions energy: -346.186
where: short stacking energy: -170.254
Base-Backbone interact. energy: 1.270
local terms energy: -268.510555
where:
bonds (distance) C4'-P energy: -62.178
bonds (distance) P-C4' energy: -64.545
flat angles C4'-P-C4' energy: -63.318
flat angles P-C4'-P energy: -38.399
tors. eta vs tors. theta energy: -40.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.065 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -446.445576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.445576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.445576 (E_RNA)
where:
Base-Base interactions energy: -226.952
where: short stacking energy: -119.436
Base-Backbone interact. energy: 0.462
local terms energy: -219.955961
where:
bonds (distance) C4'-P energy: -53.380
bonds (distance) P-C4' energy: -56.806
flat angles C4'-P-C4' energy: -45.052
flat angles P-C4'-P energy: -36.198
tors. eta vs tors. theta energy: -28.520
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: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -304.390688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.390688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.390688 (E_RNA)
where:
Base-Base interactions energy: -124.232
where: short stacking energy: -84.025
Base-Backbone interact. energy: 1.635
local terms energy: -181.793546
where:
bonds (distance) C4'-P energy: -53.782
bonds (distance) P-C4' energy: -50.903
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -39.523
tors. eta vs tors. theta energy: 15.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -286.048543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.048543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.048543 (E_RNA)
where:
Base-Base interactions energy: -80.566
where: short stacking energy: -71.030
Base-Backbone interact. energy: 0.158
local terms energy: -205.640506
where:
bonds (distance) C4'-P energy: -70.034
bonds (distance) P-C4' energy: -66.566
flat angles C4'-P-C4' energy: -44.483
flat angles P-C4'-P energy: -30.541
tors. eta vs tors. theta energy: 5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -248.985201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.985201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.985201 (E_RNA)
where:
Base-Base interactions energy: -89.248
where: short stacking energy: -69.317
Base-Backbone interact. energy: 7.472
local terms energy: -167.209176
where:
bonds (distance) C4'-P energy: -52.477
bonds (distance) P-C4' energy: -55.273
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -20.290
tors. eta vs tors. theta energy: 13.800
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: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1072.666876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.666876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.666876 (E_RNA)
where:
Base-Base interactions energy: -693.632
where: short stacking energy: -305.709
Base-Backbone interact. energy: 1.364
local terms energy: -380.398397
where:
bonds (distance) C4'-P energy: -76.985
bonds (distance) P-C4' energy: -69.024
flat angles C4'-P-C4' energy: -80.363
flat angles P-C4'-P energy: -51.823
tors. eta vs tors. theta energy: -102.203
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: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -970.094142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.094142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.094142 (E_RNA)
where:
Base-Base interactions energy: -637.501
where: short stacking energy: -283.942
Base-Backbone interact. energy: 0.320
local terms energy: -332.912959
where:
bonds (distance) C4'-P energy: -73.500
bonds (distance) P-C4' energy: -61.674
flat angles C4'-P-C4' energy: -67.936
flat angles P-C4'-P energy: -49.027
tors. eta vs tors. theta energy: -80.777
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: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -960.169889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.169889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.169889 (E_RNA)
where:
Base-Base interactions energy: -641.861
where: short stacking energy: -249.832
Base-Backbone interact. energy: -0.034
local terms energy: -318.275509
where:
bonds (distance) C4'-P energy: -66.609
bonds (distance) P-C4' energy: -72.331
flat angles C4'-P-C4' energy: -62.287
flat angles P-C4'-P energy: -39.282
tors. eta vs tors. theta energy: -77.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -849.160694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.160694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.160694 (E_RNA)
where:
Base-Base interactions energy: -536.486
where: short stacking energy: -226.498
Base-Backbone interact. energy: -2.758
local terms energy: -309.916824
where:
bonds (distance) C4'-P energy: -61.662
bonds (distance) P-C4' energy: -69.857
flat angles C4'-P-C4' energy: -73.548
flat angles P-C4'-P energy: -41.936
tors. eta vs tors. theta energy: -62.915
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: 78
Temperature: 1.100000
Total energy: -741.699220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.699220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.699220 (E_RNA)
where:
Base-Base interactions energy: -481.700
where: short stacking energy: -204.134
Base-Backbone interact. energy: 2.787
local terms energy: -262.786357
where:
bonds (distance) C4'-P energy: -54.013
bonds (distance) P-C4' energy: -71.733
flat angles C4'-P-C4' energy: -47.952
flat angles P-C4'-P energy: -35.377
tors. eta vs tors. theta energy: -53.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -610.401187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.401187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.401187 (E_RNA)
where:
Base-Base interactions energy: -351.103
where: short stacking energy: -169.366
Base-Backbone interact. energy: -2.151
local terms energy: -257.146703
where:
bonds (distance) C4'-P energy: -47.170
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -63.272
flat angles P-C4'-P energy: -47.272
tors. eta vs tors. theta energy: -35.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -397.851868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.851868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.851868 (E_RNA)
where:
Base-Base interactions energy: -175.483
where: short stacking energy: -117.916
Base-Backbone interact. energy: -0.699
local terms energy: -222.848994
where:
bonds (distance) C4'-P energy: -49.149
bonds (distance) P-C4' energy: -63.291
flat angles C4'-P-C4' energy: -57.148
flat angles P-C4'-P energy: -33.790
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.178 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -287.535847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.535847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.535847 (E_RNA)
where:
Base-Base interactions energy: -98.819
where: short stacking energy: -85.183
Base-Backbone interact. energy: -1.410
local terms energy: -187.306552
where:
bonds (distance) C4'-P energy: -60.346
bonds (distance) P-C4' energy: -58.362
flat angles C4'-P-C4' energy: -60.917
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: 14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -272.027765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.027765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.027765 (E_RNA)
where:
Base-Base interactions energy: -80.735
where: short stacking energy: -71.123
Base-Backbone interact. energy: -0.559
local terms energy: -190.734057
where:
bonds (distance) C4'-P energy: -53.607
bonds (distance) P-C4' energy: -61.892
flat angles C4'-P-C4' energy: -45.351
flat angles P-C4'-P energy: -33.685
tors. eta vs tors. theta energy: 3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -257.468604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.468604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.468604 (E_RNA)
where:
Base-Base interactions energy: -82.673
where: short stacking energy: -65.723
Base-Backbone interact. energy: 2.825
local terms energy: -177.621126
where:
bonds (distance) C4'-P energy: -46.830
bonds (distance) P-C4' energy: -70.196
flat angles C4'-P-C4' energy: -53.297
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: 15.658
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: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1054.145794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.145794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.145794 (E_RNA)
where:
Base-Base interactions energy: -692.717
where: short stacking energy: -303.151
Base-Backbone interact. energy: -0.614
local terms energy: -360.815167
where:
bonds (distance) C4'-P energy: -62.849
bonds (distance) P-C4' energy: -70.381
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -54.148
tors. eta vs tors. theta energy: -98.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -965.793856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.793856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.793856 (E_RNA)
where:
Base-Base interactions energy: -655.900
where: short stacking energy: -268.504
Base-Backbone interact. energy: 0.869
local terms energy: -310.763355
where:
bonds (distance) C4'-P energy: -55.848
bonds (distance) P-C4' energy: -64.495
flat angles C4'-P-C4' energy: -79.556
flat angles P-C4'-P energy: -35.815
tors. eta vs tors. theta energy: -75.049
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: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -959.087232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.087232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.087232 (E_RNA)
where:
Base-Base interactions energy: -649.278
where: short stacking energy: -254.844
Base-Backbone interact. energy: 1.606
local terms energy: -311.414891
where:
bonds (distance) C4'-P energy: -64.953
bonds (distance) P-C4' energy: -59.525
flat angles C4'-P-C4' energy: -73.900
flat angles P-C4'-P energy: -47.581
tors. eta vs tors. theta energy: -65.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -825.951657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.951657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.951657 (E_RNA)
where:
Base-Base interactions energy: -533.535
where: short stacking energy: -223.986
Base-Backbone interact. energy: -1.206
local terms energy: -291.210356
where:
bonds (distance) C4'-P energy: -65.291
bonds (distance) P-C4' energy: -66.690
flat angles C4'-P-C4' energy: -65.116
flat angles P-C4'-P energy: -33.420
tors. eta vs tors. theta energy: -60.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -714.179563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.179563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.179563 (E_RNA)
where:
Base-Base interactions energy: -456.091
where: short stacking energy: -179.552
Base-Backbone interact. energy: 2.436
local terms energy: -260.525345
where:
bonds (distance) C4'-P energy: -59.300
bonds (distance) P-C4' energy: -57.453
flat angles C4'-P-C4' energy: -61.238
flat angles P-C4'-P energy: -40.894
tors. eta vs tors. theta energy: -41.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -529.340129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.340129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.340129 (E_RNA)
where:
Base-Base interactions energy: -308.773
where: short stacking energy: -148.293
Base-Backbone interact. energy: -1.330
local terms energy: -219.237148
where:
bonds (distance) C4'-P energy: -50.017
bonds (distance) P-C4' energy: -59.717
flat angles C4'-P-C4' energy: -42.174
flat angles P-C4'-P energy: -31.484
tors. eta vs tors. theta energy: -35.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -450.161635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.161635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.161635 (E_RNA)
where:
Base-Base interactions energy: -223.767
where: short stacking energy: -121.120
Base-Backbone interact. energy: -1.941
local terms energy: -225.387596
where:
bonds (distance) C4'-P energy: -56.799
bonds (distance) P-C4' energy: -54.894
flat angles C4'-P-C4' energy: -57.500
flat angles P-C4'-P energy: -41.390
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.934 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -326.593017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.593017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.593017 (E_RNA)
where:
Base-Base interactions energy: -119.682
where: short stacking energy: -82.219
Base-Backbone interact. energy: -0.937
local terms energy: -205.974340
where:
bonds (distance) C4'-P energy: -66.049
bonds (distance) P-C4' energy: -57.037
flat angles C4'-P-C4' energy: -57.381
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: 0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -278.421522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.421522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.421522 (E_RNA)
where:
Base-Base interactions energy: -94.822
where: short stacking energy: -68.147
Base-Backbone interact. energy: 0.256
local terms energy: -183.856066
where:
bonds (distance) C4'-P energy: -55.714
bonds (distance) P-C4' energy: -49.082
flat angles C4'-P-C4' energy: -50.687
flat angles P-C4'-P energy: -38.164
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: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -263.701724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.701724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.701724 (E_RNA)
where:
Base-Base interactions energy: -87.137
where: short stacking energy: -62.529
Base-Backbone interact. energy: 0.499
local terms energy: -177.063548
where:
bonds (distance) C4'-P energy: -58.685
bonds (distance) P-C4' energy: -57.194
flat angles C4'-P-C4' energy: -43.793
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: 16.457
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: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1038.019050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.019050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.019050 (E_RNA)
where:
Base-Base interactions energy: -669.081
where: short stacking energy: -312.644
Base-Backbone interact. energy: -0.501
local terms energy: -368.437088
where:
bonds (distance) C4'-P energy: -71.629
bonds (distance) P-C4' energy: -70.384
flat angles C4'-P-C4' energy: -77.258
flat angles P-C4'-P energy: -51.353
tors. eta vs tors. theta energy: -97.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -980.664636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.664636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.664636 (E_RNA)
where:
Base-Base interactions energy: -642.473
where: short stacking energy: -252.718
Base-Backbone interact. energy: -0.959
local terms energy: -337.233072
where:
bonds (distance) C4'-P energy: -75.037
bonds (distance) P-C4' energy: -66.197
flat angles C4'-P-C4' energy: -77.499
flat angles P-C4'-P energy: -48.555
tors. eta vs tors. theta energy: -69.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -941.866195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.866195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.866195 (E_RNA)
where:
Base-Base interactions energy: -639.767
where: short stacking energy: -235.276
Base-Backbone interact. energy: 1.261
local terms energy: -303.574947
where:
bonds (distance) C4'-P energy: -62.800
bonds (distance) P-C4' energy: -71.655
flat angles C4'-P-C4' energy: -64.166
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -62.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.215 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -836.357208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.357208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.357208 (E_RNA)
where:
Base-Base interactions energy: -525.224
where: short stacking energy: -234.028
Base-Backbone interact. energy: 0.540
local terms energy: -311.673105
where:
bonds (distance) C4'-P energy: -57.048
bonds (distance) P-C4' energy: -66.083
flat angles C4'-P-C4' energy: -72.701
flat angles P-C4'-P energy: -45.192
tors. eta vs tors. theta energy: -70.649
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: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -679.032993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.032993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.032993 (E_RNA)
where:
Base-Base interactions energy: -422.336
where: short stacking energy: -198.537
Base-Backbone interact. energy: 5.195
local terms energy: -261.891997
where:
bonds (distance) C4'-P energy: -56.011
bonds (distance) P-C4' energy: -59.762
flat angles C4'-P-C4' energy: -66.872
flat angles P-C4'-P energy: -34.332
tors. eta vs tors. theta energy: -44.916
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: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -475.737681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.737681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.737681 (E_RNA)
where:
Base-Base interactions energy: -249.338
where: short stacking energy: -123.443
Base-Backbone interact. energy: -0.106
local terms energy: -226.293678
where:
bonds (distance) C4'-P energy: -66.179
bonds (distance) P-C4' energy: -58.337
flat angles C4'-P-C4' energy: -54.470
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -10.521
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: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -408.801799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.801799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.801799 (E_RNA)
where:
Base-Base interactions energy: -210.953
where: short stacking energy: -107.951
Base-Backbone interact. energy: 0.723
local terms energy: -198.572250
where:
bonds (distance) C4'-P energy: -50.837
bonds (distance) P-C4' energy: -69.341
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -324.960492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.960492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.960492 (E_RNA)
where:
Base-Base interactions energy: -117.729
where: short stacking energy: -97.485
Base-Backbone interact. energy: -1.814
local terms energy: -205.417092
where:
bonds (distance) C4'-P energy: -52.670
bonds (distance) P-C4' energy: -74.297
flat angles C4'-P-C4' energy: -55.602
flat angles P-C4'-P energy: -29.895
tors. eta vs tors. theta energy: 7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -264.087002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.087002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.087002 (E_RNA)
where:
Base-Base interactions energy: -88.327
where: short stacking energy: -72.035
Base-Backbone interact. energy: -0.806
local terms energy: -174.953686
where:
bonds (distance) C4'-P energy: -58.151
bonds (distance) P-C4' energy: -36.877
flat angles C4'-P-C4' energy: -59.089
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: 6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -253.171060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.171060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.171060 (E_RNA)
where:
Base-Base interactions energy: -72.475
where: short stacking energy: -54.768
Base-Backbone interact. energy: 0.462
local terms energy: -181.157771
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -63.578
flat angles C4'-P-C4' energy: -56.634
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: 6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1046.541687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.541687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.541687 (E_RNA)
where:
Base-Base interactions energy: -696.860
where: short stacking energy: -301.383
Base-Backbone interact. energy: 1.663
local terms energy: -351.344781
where:
bonds (distance) C4'-P energy: -61.281
bonds (distance) P-C4' energy: -63.952
flat angles C4'-P-C4' energy: -71.033
flat angles P-C4'-P energy: -55.803
tors. eta vs tors. theta energy: -99.277
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: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -967.085092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.085092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.085092 (E_RNA)
where:
Base-Base interactions energy: -637.736
where: short stacking energy: -260.626
Base-Backbone interact. energy: 0.036
local terms energy: -329.384677
where:
bonds (distance) C4'-P energy: -61.410
bonds (distance) P-C4' energy: -66.160
flat angles C4'-P-C4' energy: -75.103
flat angles P-C4'-P energy: -52.149
tors. eta vs tors. theta energy: -74.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -907.240579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.240579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.240579 (E_RNA)
where:
Base-Base interactions energy: -601.839
where: short stacking energy: -245.566
Base-Backbone interact. energy: -0.786
local terms energy: -304.795855
where:
bonds (distance) C4'-P energy: -64.141
bonds (distance) P-C4' energy: -76.662
flat angles C4'-P-C4' energy: -66.948
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -62.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.181 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -828.170455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.170455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.170455 (E_RNA)
where:
Base-Base interactions energy: -530.848
where: short stacking energy: -229.767
Base-Backbone interact. energy: 4.176
local terms energy: -301.498357
where:
bonds (distance) C4'-P energy: -60.847
bonds (distance) P-C4' energy: -68.395
flat angles C4'-P-C4' energy: -62.147
flat angles P-C4'-P energy: -47.239
tors. eta vs tors. theta energy: -62.871
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: 81
Temperature: 1.100000
Total energy: -678.473683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.473683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.473683 (E_RNA)
where:
Base-Base interactions energy: -421.757
where: short stacking energy: -193.810
Base-Backbone interact. energy: -0.521
local terms energy: -256.196028
where:
bonds (distance) C4'-P energy: -64.823
bonds (distance) P-C4' energy: -51.038
flat angles C4'-P-C4' energy: -58.730
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -43.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -474.832087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.832087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.832087 (E_RNA)
where:
Base-Base interactions energy: -241.007
where: short stacking energy: -130.025
Base-Backbone interact. energy: 0.809
local terms energy: -235.176770
where:
bonds (distance) C4'-P energy: -65.661
bonds (distance) P-C4' energy: -69.491
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -40.604
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.543 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -349.279520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.279520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.279520 (E_RNA)
where:
Base-Base interactions energy: -150.377
where: short stacking energy: -96.086
Base-Backbone interact. energy: -0.223
local terms energy: -198.679631
where:
bonds (distance) C4'-P energy: -57.690
bonds (distance) P-C4' energy: -61.327
flat angles C4'-P-C4' energy: -56.694
flat angles P-C4'-P energy: -27.827
tors. eta vs tors. theta energy: 4.859
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: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -305.917840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.917840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.917840 (E_RNA)
where:
Base-Base interactions energy: -129.585
where: short stacking energy: -80.816
Base-Backbone interact. energy: -0.290
local terms energy: -176.042614
where:
bonds (distance) C4'-P energy: -64.710
bonds (distance) P-C4' energy: -56.172
flat angles C4'-P-C4' energy: -44.606
flat angles P-C4'-P energy: -25.564
tors. eta vs tors. theta energy: 15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -273.878132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.878132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.878132 (E_RNA)
where:
Base-Base interactions energy: -85.826
where: short stacking energy: -81.586
Base-Backbone interact. energy: -0.770
local terms energy: -187.281648
where:
bonds (distance) C4'-P energy: -50.336
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -53.476
flat angles P-C4'-P energy: -31.592
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -250.868466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.868466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.868466 (E_RNA)
where:
Base-Base interactions energy: -96.257
where: short stacking energy: -72.095
Base-Backbone interact. energy: 1.778
local terms energy: -156.389003
where:
bonds (distance) C4'-P energy: -41.325
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -43.770
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: 9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1042.867218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.867218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.867218 (E_RNA)
where:
Base-Base interactions energy: -673.499
where: short stacking energy: -304.983
Base-Backbone interact. energy: 0.392
local terms energy: -369.760398
where:
bonds (distance) C4'-P energy: -69.324
bonds (distance) P-C4' energy: -65.571
flat angles C4'-P-C4' energy: -73.307
flat angles P-C4'-P energy: -52.695
tors. eta vs tors. theta energy: -108.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -963.958062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.958062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.958062 (E_RNA)
where:
Base-Base interactions energy: -644.384
where: short stacking energy: -255.654
Base-Backbone interact. energy: -1.508
local terms energy: -318.066093
where:
bonds (distance) C4'-P energy: -53.655
bonds (distance) P-C4' energy: -69.553
flat angles C4'-P-C4' energy: -74.627
flat angles P-C4'-P energy: -49.701
tors. eta vs tors. theta energy: -70.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -918.960215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.960215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.960215 (E_RNA)
where:
Base-Base interactions energy: -599.888
where: short stacking energy: -242.659
Base-Backbone interact. energy: -2.410
local terms energy: -316.662149
where:
bonds (distance) C4'-P energy: -67.248
bonds (distance) P-C4' energy: -69.534
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -36.358
tors. eta vs tors. theta energy: -74.173
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: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -793.994219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.994219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.994219 (E_RNA)
where:
Base-Base interactions energy: -515.517
where: short stacking energy: -215.902
Base-Backbone interact. energy: -2.874
local terms energy: -275.602685
where:
bonds (distance) C4'-P energy: -58.924
bonds (distance) P-C4' energy: -57.868
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -50.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -672.301058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.301058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.301058 (E_RNA)
where:
Base-Base interactions energy: -397.659
where: short stacking energy: -181.221
Base-Backbone interact. energy: -0.129
local terms energy: -274.513351
where:
bonds (distance) C4'-P energy: -67.276
bonds (distance) P-C4' energy: -54.866
flat angles C4'-P-C4' energy: -55.254
flat angles P-C4'-P energy: -41.245
tors. eta vs tors. theta energy: -55.872
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: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -472.300357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.300357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.300357 (E_RNA)
where:
Base-Base interactions energy: -250.500
where: short stacking energy: -135.444
Base-Backbone interact. energy: -0.585
local terms energy: -221.214423
where:
bonds (distance) C4'-P energy: -60.491
bonds (distance) P-C4' energy: -61.732
flat angles C4'-P-C4' energy: -59.629
flat angles P-C4'-P energy: -26.045
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: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -390.534013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.534013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.534013 (E_RNA)
where:
Base-Base interactions energy: -161.374
where: short stacking energy: -93.917
Base-Backbone interact. energy: 1.001
local terms energy: -230.161360
where:
bonds (distance) C4'-P energy: -53.926
bonds (distance) P-C4' energy: -66.083
flat angles C4'-P-C4' energy: -64.361
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -325.926538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.926538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.926538 (E_RNA)
where:
Base-Base interactions energy: -104.627
where: short stacking energy: -83.551
Base-Backbone interact. energy: 1.339
local terms energy: -222.637937
where:
bonds (distance) C4'-P energy: -56.517
bonds (distance) P-C4' energy: -67.655
flat angles C4'-P-C4' energy: -55.952
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -287.020531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.020531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.020531 (E_RNA)
where:
Base-Base interactions energy: -110.337
where: short stacking energy: -77.147
Base-Backbone interact. energy: 2.465
local terms energy: -179.147746
where:
bonds (distance) C4'-P energy: -43.375
bonds (distance) P-C4' energy: -58.069
flat angles C4'-P-C4' energy: -55.898
flat angles P-C4'-P energy: -28.525
tors. eta vs tors. theta energy: 6.720
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: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -257.294124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.294124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.294124 (E_RNA)
where:
Base-Base interactions energy: -91.670
where: short stacking energy: -59.390
Base-Backbone interact. energy: 0.980
local terms energy: -166.603930
where:
bonds (distance) C4'-P energy: -47.592
bonds (distance) P-C4' energy: -50.905
flat angles C4'-P-C4' energy: -49.859
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1042.299136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.299136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.299136 (E_RNA)
where:
Base-Base interactions energy: -686.507
where: short stacking energy: -314.383
Base-Backbone interact. energy: -0.914
local terms energy: -354.878349
where:
bonds (distance) C4'-P energy: -63.859
bonds (distance) P-C4' energy: -60.075
flat angles C4'-P-C4' energy: -77.936
flat angles P-C4'-P energy: -55.124
tors. eta vs tors. theta energy: -97.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -945.234240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.234240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.234240 (E_RNA)
where:
Base-Base interactions energy: -615.824
where: short stacking energy: -260.909
Base-Backbone interact. energy: -1.290
local terms energy: -328.121106
where:
bonds (distance) C4'-P energy: -71.046
bonds (distance) P-C4' energy: -68.582
flat angles C4'-P-C4' energy: -66.384
flat angles P-C4'-P energy: -53.598
tors. eta vs tors. theta energy: -68.512
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: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -915.336416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.336416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.336416 (E_RNA)
where:
Base-Base interactions energy: -602.580
where: short stacking energy: -247.653
Base-Backbone interact. energy: -1.276
local terms energy: -311.480470
where:
bonds (distance) C4'-P energy: -69.141
bonds (distance) P-C4' energy: -63.918
flat angles C4'-P-C4' energy: -69.215
flat angles P-C4'-P energy: -37.044
tors. eta vs tors. theta energy: -72.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -804.095662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.095662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.095662 (E_RNA)
where:
Base-Base interactions energy: -523.753
where: short stacking energy: -215.832
Base-Backbone interact. energy: -1.148
local terms energy: -279.194780
where:
bonds (distance) C4'-P energy: -51.762
bonds (distance) P-C4' energy: -62.901
flat angles C4'-P-C4' energy: -64.729
flat angles P-C4'-P energy: -40.620
tors. eta vs tors. theta energy: -59.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -676.413037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.413037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.413037 (E_RNA)
where:
Base-Base interactions energy: -399.270
where: short stacking energy: -192.745
Base-Backbone interact. energy: -0.398
local terms energy: -276.745811
where:
bonds (distance) C4'-P energy: -60.963
bonds (distance) P-C4' energy: -60.940
flat angles C4'-P-C4' energy: -60.455
flat angles P-C4'-P energy: -45.477
tors. eta vs tors. theta energy: -48.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -437.054461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.054461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.054461 (E_RNA)
where:
Base-Base interactions energy: -204.236
where: short stacking energy: -101.375
Base-Backbone interact. energy: 0.823
local terms energy: -233.641207
where:
bonds (distance) C4'-P energy: -62.981
bonds (distance) P-C4' energy: -72.220
flat angles C4'-P-C4' energy: -63.417
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -385.222590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.222590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.222590 (E_RNA)
where:
Base-Base interactions energy: -178.768
where: short stacking energy: -99.705
Base-Backbone interact. energy: 1.202
local terms energy: -207.656540
where:
bonds (distance) C4'-P energy: -63.496
bonds (distance) P-C4' energy: -62.991
flat angles C4'-P-C4' energy: -51.434
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: 3.124
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: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -319.808954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.808954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.808954 (E_RNA)
where:
Base-Base interactions energy: -101.464
where: short stacking energy: -70.827
Base-Backbone interact. energy: -2.165
local terms energy: -216.179887
where:
bonds (distance) C4'-P energy: -67.821
bonds (distance) P-C4' energy: -62.382
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -42.095
tors. eta vs tors. theta energy: 5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -280.966196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.966196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.966196 (E_RNA)
where:
Base-Base interactions energy: -90.692
where: short stacking energy: -67.652
Base-Backbone interact. energy: 0.201
local terms energy: -191.001240
where:
bonds (distance) C4'-P energy: -55.714
bonds (distance) P-C4' energy: -63.525
flat angles C4'-P-C4' energy: -49.473
flat angles P-C4'-P energy: -33.855
tors. eta vs tors. theta energy: 11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.526 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -282.455705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.455705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.455705 (E_RNA)
where:
Base-Base interactions energy: -119.835
where: short stacking energy: -69.190
Base-Backbone interact. energy: 0.255
local terms energy: -162.876508
where:
bonds (distance) C4'-P energy: -46.958
bonds (distance) P-C4' energy: -51.258
flat angles C4'-P-C4' energy: -55.093
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: 11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1001.361697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.361697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.361697 (E_RNA)
where:
Base-Base interactions energy: -654.800
where: short stacking energy: -288.569
Base-Backbone interact. energy: -1.338
local terms energy: -345.223229
where:
bonds (distance) C4'-P energy: -66.598
bonds (distance) P-C4' energy: -65.234
flat angles C4'-P-C4' energy: -65.485
flat angles P-C4'-P energy: -49.698
tors. eta vs tors. theta energy: -98.208
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: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -959.150746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.150746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.150746 (E_RNA)
where:
Base-Base interactions energy: -610.548
where: short stacking energy: -256.754
Base-Backbone interact. energy: -0.197
local terms energy: -348.405562
where:
bonds (distance) C4'-P energy: -63.070
bonds (distance) P-C4' energy: -71.503
flat angles C4'-P-C4' energy: -77.447
flat angles P-C4'-P energy: -53.112
tors. eta vs tors. theta energy: -83.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -880.796732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.796732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.796732 (E_RNA)
where:
Base-Base interactions energy: -588.472
where: short stacking energy: -232.076
Base-Backbone interact. energy: -1.917
local terms energy: -290.407655
where:
bonds (distance) C4'-P energy: -69.151
bonds (distance) P-C4' energy: -67.560
flat angles C4'-P-C4' energy: -65.008
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -53.399
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: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -779.156303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.156303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.156303 (E_RNA)
where:
Base-Base interactions energy: -496.399
where: short stacking energy: -210.056
Base-Backbone interact. energy: -3.476
local terms energy: -279.281299
where:
bonds (distance) C4'-P energy: -67.579
bonds (distance) P-C4' energy: -64.438
flat angles C4'-P-C4' energy: -65.961
flat angles P-C4'-P energy: -36.732
tors. eta vs tors. theta energy: -44.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -683.746799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.746799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.746799 (E_RNA)
where:
Base-Base interactions energy: -415.872
where: short stacking energy: -199.025
Base-Backbone interact. energy: -1.374
local terms energy: -266.500678
where:
bonds (distance) C4'-P energy: -48.217
bonds (distance) P-C4' energy: -59.210
flat angles C4'-P-C4' energy: -65.128
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: -57.382
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: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -431.294473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.294473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.294473 (E_RNA)
where:
Base-Base interactions energy: -208.995
where: short stacking energy: -103.303
Base-Backbone interact. energy: -2.501
local terms energy: -219.797827
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -58.940
flat angles C4'-P-C4' energy: -65.841
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -322.337889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.337889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.337889 (E_RNA)
where:
Base-Base interactions energy: -106.559
where: short stacking energy: -99.406
Base-Backbone interact. energy: -0.286
local terms energy: -215.493020
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -71.606
flat angles C4'-P-C4' energy: -58.205
flat angles P-C4'-P energy: -25.498
tors. eta vs tors. theta energy: 0.667
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: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -332.847513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.847513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.847513 (E_RNA)
where:
Base-Base interactions energy: -144.480
where: short stacking energy: -89.607
Base-Backbone interact. energy: -1.583
local terms energy: -186.784868
where:
bonds (distance) C4'-P energy: -53.152
bonds (distance) P-C4' energy: -48.347
flat angles C4'-P-C4' energy: -59.451
flat angles P-C4'-P energy: -31.149
tors. eta vs tors. theta energy: 5.315
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: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -270.761656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.761656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.761656 (E_RNA)
where:
Base-Base interactions energy: -75.486
where: short stacking energy: -48.081
Base-Backbone interact. energy: -1.293
local terms energy: -193.982510
where:
bonds (distance) C4'-P energy: -62.852
bonds (distance) P-C4' energy: -68.937
flat angles C4'-P-C4' energy: -45.468
flat angles P-C4'-P energy: -29.282
tors. eta vs tors. theta energy: 12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -272.017076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.017076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.017076 (E_RNA)
where:
Base-Base interactions energy: -111.520
where: short stacking energy: -71.384
Base-Backbone interact. energy: -1.952
local terms energy: -158.544819
where:
bonds (distance) C4'-P energy: -49.864
bonds (distance) P-C4' energy: -52.965
flat angles C4'-P-C4' energy: -40.963
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: 8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1035.990141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.990141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.990141 (E_RNA)
where:
Base-Base interactions energy: -665.093
where: short stacking energy: -316.318
Base-Backbone interact. energy: -1.787
local terms energy: -369.109959
where:
bonds (distance) C4'-P energy: -70.770
bonds (distance) P-C4' energy: -58.974
flat angles C4'-P-C4' energy: -78.730
flat angles P-C4'-P energy: -57.887
tors. eta vs tors. theta energy: -102.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -936.981090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.981090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.981090 (E_RNA)
where:
Base-Base interactions energy: -604.863
where: short stacking energy: -264.835
Base-Backbone interact. energy: -2.744
local terms energy: -329.374912
where:
bonds (distance) C4'-P energy: -70.438
bonds (distance) P-C4' energy: -66.385
flat angles C4'-P-C4' energy: -74.894
flat angles P-C4'-P energy: -35.969
tors. eta vs tors. theta energy: -81.690
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -898.599234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.599234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.599234 (E_RNA)
where:
Base-Base interactions energy: -580.940
where: short stacking energy: -240.041
Base-Backbone interact. energy: -1.772
local terms energy: -315.887006
where:
bonds (distance) C4'-P energy: -70.562
bonds (distance) P-C4' energy: -68.818
flat angles C4'-P-C4' energy: -65.891
flat angles P-C4'-P energy: -42.714
tors. eta vs tors. theta energy: -67.902
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: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -792.287218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.287218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.287218 (E_RNA)
where:
Base-Base interactions energy: -497.757
where: short stacking energy: -225.783
Base-Backbone interact. energy: -1.648
local terms energy: -292.881930
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -64.975
flat angles C4'-P-C4' energy: -57.472
flat angles P-C4'-P energy: -50.766
tors. eta vs tors. theta energy: -64.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -660.018429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.018429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.018429 (E_RNA)
where:
Base-Base interactions energy: -406.845
where: short stacking energy: -183.502
Base-Backbone interact. energy: 1.640
local terms energy: -254.814269
where:
bonds (distance) C4'-P energy: -62.173
bonds (distance) P-C4' energy: -61.362
flat angles C4'-P-C4' energy: -53.810
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -38.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -465.243045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.243045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.243045 (E_RNA)
where:
Base-Base interactions energy: -233.559
where: short stacking energy: -128.942
Base-Backbone interact. energy: -0.774
local terms energy: -230.909944
where:
bonds (distance) C4'-P energy: -63.888
bonds (distance) P-C4' energy: -58.593
flat angles C4'-P-C4' energy: -54.427
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: -18.528
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: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -340.483993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.483993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.483993 (E_RNA)
where:
Base-Base interactions energy: -131.241
where: short stacking energy: -84.852
Base-Backbone interact. energy: -0.804
local terms energy: -208.439199
where:
bonds (distance) C4'-P energy: -54.187
bonds (distance) P-C4' energy: -72.387
flat angles C4'-P-C4' energy: -53.878
flat angles P-C4'-P energy: -36.141
tors. eta vs tors. theta energy: 8.153
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: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -318.033711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.033711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.033711 (E_RNA)
where:
Base-Base interactions energy: -100.042
where: short stacking energy: -78.897
Base-Backbone interact. energy: -1.674
local terms energy: -216.318048
where:
bonds (distance) C4'-P energy: -69.017
bonds (distance) P-C4' energy: -60.119
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -290.311063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.311063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.311063 (E_RNA)
where:
Base-Base interactions energy: -111.658
where: short stacking energy: -64.922
Base-Backbone interact. energy: -1.482
local terms energy: -177.171322
where:
bonds (distance) C4'-P energy: -55.605
bonds (distance) P-C4' energy: -47.120
flat angles C4'-P-C4' energy: -56.464
flat angles P-C4'-P energy: -34.758
tors. eta vs tors. theta energy: 16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -241.889794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.889794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.889794 (E_RNA)
where:
Base-Base interactions energy: -68.859
where: short stacking energy: -62.012
Base-Backbone interact. energy: 2.848
local terms energy: -175.879319
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -58.051
flat angles C4'-P-C4' energy: -53.529
flat angles P-C4'-P energy: -23.848
tors. eta vs tors. theta energy: 14.171
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: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1025.579735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.579735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.579735 (E_RNA)
where:
Base-Base interactions energy: -662.347
where: short stacking energy: -303.180
Base-Backbone interact. energy: -0.969
local terms energy: -362.263349
where:
bonds (distance) C4'-P energy: -66.770
bonds (distance) P-C4' energy: -65.307
flat angles C4'-P-C4' energy: -82.094
flat angles P-C4'-P energy: -52.187
tors. eta vs tors. theta energy: -95.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -935.378522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.378522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.378522 (E_RNA)
where:
Base-Base interactions energy: -618.574
where: short stacking energy: -256.665
Base-Backbone interact. energy: -1.718
local terms energy: -315.086534
where:
bonds (distance) C4'-P energy: -69.883
bonds (distance) P-C4' energy: -59.662
flat angles C4'-P-C4' energy: -68.981
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -78.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -920.456373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.456373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.456373 (E_RNA)
where:
Base-Base interactions energy: -600.389
where: short stacking energy: -228.841
Base-Backbone interact. energy: 1.427
local terms energy: -321.494191
where:
bonds (distance) C4'-P energy: -70.246
bonds (distance) P-C4' energy: -70.938
flat angles C4'-P-C4' energy: -66.402
flat angles P-C4'-P energy: -44.802
tors. eta vs tors. theta energy: -69.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -762.322436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.322436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.322436 (E_RNA)
where:
Base-Base interactions energy: -468.569
where: short stacking energy: -206.175
Base-Backbone interact. energy: 1.192
local terms energy: -294.945688
where:
bonds (distance) C4'-P energy: -63.426
bonds (distance) P-C4' energy: -62.586
flat angles C4'-P-C4' energy: -67.217
flat angles P-C4'-P energy: -46.673
tors. eta vs tors. theta energy: -55.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -672.031918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.031918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.031918 (E_RNA)
where:
Base-Base interactions energy: -389.117
where: short stacking energy: -179.503
Base-Backbone interact. energy: -2.279
local terms energy: -280.635301
where:
bonds (distance) C4'-P energy: -51.250
bonds (distance) P-C4' energy: -61.991
flat angles C4'-P-C4' energy: -72.910
flat angles P-C4'-P energy: -47.348
tors. eta vs tors. theta energy: -47.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -510.733228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.733228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.733228 (E_RNA)
where:
Base-Base interactions energy: -267.261
where: short stacking energy: -142.023
Base-Backbone interact. energy: -3.462
local terms energy: -240.010728
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -67.226
flat angles C4'-P-C4' energy: -64.517
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: -19.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -375.097279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.097279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.097279 (E_RNA)
where:
Base-Base interactions energy: -144.720
where: short stacking energy: -92.461
Base-Backbone interact. energy: -1.677
local terms energy: -228.700166
where:
bonds (distance) C4'-P energy: -55.180
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -60.071
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -319.180470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.180470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.180470 (E_RNA)
where:
Base-Base interactions energy: -113.605
where: short stacking energy: -102.063
Base-Backbone interact. energy: -0.201
local terms energy: -205.374140
where:
bonds (distance) C4'-P energy: -59.821
bonds (distance) P-C4' energy: -52.967
flat angles C4'-P-C4' energy: -46.755
flat angles P-C4'-P energy: -40.106
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -345.643423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.643423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.643423 (E_RNA)
where:
Base-Base interactions energy: -128.577
where: short stacking energy: -79.270
Base-Backbone interact. energy: -0.320
local terms energy: -216.746319
where:
bonds (distance) C4'-P energy: -63.496
bonds (distance) P-C4' energy: -62.485
flat angles C4'-P-C4' energy: -59.401
flat angles P-C4'-P energy: -34.476
tors. eta vs tors. theta energy: 3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -278.672141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.672141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.672141 (E_RNA)
where:
Base-Base interactions energy: -100.407
where: short stacking energy: -66.519
Base-Backbone interact. energy: -0.620
local terms energy: -177.644825
where:
bonds (distance) C4'-P energy: -39.827
bonds (distance) P-C4' energy: -67.016
flat angles C4'-P-C4' energy: -55.210
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: 4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1051.661166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.661166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.661166 (E_RNA)
where:
Base-Base interactions energy: -699.978
where: short stacking energy: -306.127
Base-Backbone interact. energy: -1.349
local terms energy: -350.333584
where:
bonds (distance) C4'-P energy: -65.034
bonds (distance) P-C4' energy: -64.517
flat angles C4'-P-C4' energy: -78.024
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: -92.402
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: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -928.992031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.992031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.992031 (E_RNA)
where:
Base-Base interactions energy: -620.619
where: short stacking energy: -250.766
Base-Backbone interact. energy: -2.534
local terms energy: -305.839521
where:
bonds (distance) C4'-P energy: -62.233
bonds (distance) P-C4' energy: -65.421
flat angles C4'-P-C4' energy: -63.531
flat angles P-C4'-P energy: -46.815
tors. eta vs tors. theta energy: -67.840
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: 87
Temperature: 1.000000
Total energy: -935.417770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.417770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.417770 (E_RNA)
where:
Base-Base interactions energy: -616.941
where: short stacking energy: -266.459
Base-Backbone interact. energy: -0.654
local terms energy: -317.822561
where:
bonds (distance) C4'-P energy: -59.962
bonds (distance) P-C4' energy: -76.756
flat angles C4'-P-C4' energy: -67.330
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -72.139
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: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -723.913049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.913049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.913049 (E_RNA)
where:
Base-Base interactions energy: -443.637
where: short stacking energy: -208.682
Base-Backbone interact. energy: -1.551
local terms energy: -278.725094
where:
bonds (distance) C4'-P energy: -61.437
bonds (distance) P-C4' energy: -59.788
flat angles C4'-P-C4' energy: -63.131
flat angles P-C4'-P energy: -36.535
tors. eta vs tors. theta energy: -57.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -729.084516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.084516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.084516 (E_RNA)
where:
Base-Base interactions energy: -452.780
where: short stacking energy: -204.649
Base-Backbone interact. energy: -3.034
local terms energy: -273.270027
where:
bonds (distance) C4'-P energy: -53.079
bonds (distance) P-C4' energy: -59.641
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -42.786
tors. eta vs tors. theta energy: -59.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -495.135703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.135703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.135703 (E_RNA)
where:
Base-Base interactions energy: -248.759
where: short stacking energy: -116.672
Base-Backbone interact. energy: -1.583
local terms energy: -244.793670
where:
bonds (distance) C4'-P energy: -63.941
bonds (distance) P-C4' energy: -66.859
flat angles C4'-P-C4' energy: -53.432
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -19.882
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: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -375.625490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.625490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.625490 (E_RNA)
where:
Base-Base interactions energy: -164.160
where: short stacking energy: -103.525
Base-Backbone interact. energy: 0.104
local terms energy: -211.569542
where:
bonds (distance) C4'-P energy: -52.619
bonds (distance) P-C4' energy: -65.264
flat angles C4'-P-C4' energy: -62.551
flat angles P-C4'-P energy: -32.086
tors. eta vs tors. theta energy: 0.950
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: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -351.734315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.734315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.734315 (E_RNA)
where:
Base-Base interactions energy: -171.503
where: short stacking energy: -115.047
Base-Backbone interact. energy: -1.911
local terms energy: -178.320438
where:
bonds (distance) C4'-P energy: -47.305
bonds (distance) P-C4' energy: -52.514
flat angles C4'-P-C4' energy: -47.530
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -4.882
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: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -300.290158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.290158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.290158 (E_RNA)
where:
Base-Base interactions energy: -113.864
where: short stacking energy: -79.529
Base-Backbone interact. energy: -0.713
local terms energy: -185.713735
where:
bonds (distance) C4'-P energy: -57.420
bonds (distance) P-C4' energy: -57.455
flat angles C4'-P-C4' energy: -40.679
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -274.088592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.088592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.088592 (E_RNA)
where:
Base-Base interactions energy: -76.591
where: short stacking energy: -45.804
Base-Backbone interact. energy: 0.517
local terms energy: -198.014546
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -61.901
flat angles C4'-P-C4' energy: -48.460
flat angles P-C4'-P energy: -39.979
tors. eta vs tors. theta energy: 17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1049.028937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.028937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.028937 (E_RNA)
where:
Base-Base interactions energy: -696.869
where: short stacking energy: -288.182
Base-Backbone interact. energy: -0.874
local terms energy: -351.285303
where:
bonds (distance) C4'-P energy: -71.033
bonds (distance) P-C4' energy: -55.163
flat angles C4'-P-C4' energy: -79.126
flat angles P-C4'-P energy: -54.740
tors. eta vs tors. theta energy: -91.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -928.339215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.339215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.339215 (E_RNA)
where:
Base-Base interactions energy: -598.298
where: short stacking energy: -240.003
Base-Backbone interact. energy: -0.809
local terms energy: -329.232886
where:
bonds (distance) C4'-P energy: -70.058
bonds (distance) P-C4' energy: -68.486
flat angles C4'-P-C4' energy: -72.857
flat angles P-C4'-P energy: -46.779
tors. eta vs tors. theta energy: -71.053
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: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -925.766295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.766295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.766295 (E_RNA)
where:
Base-Base interactions energy: -628.250
where: short stacking energy: -239.196
Base-Backbone interact. energy: -1.947
local terms energy: -295.569482
where:
bonds (distance) C4'-P energy: -64.801
bonds (distance) P-C4' energy: -68.313
flat angles C4'-P-C4' energy: -60.693
flat angles P-C4'-P energy: -41.544
tors. eta vs tors. theta energy: -60.219
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: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -739.327852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.327852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.327852 (E_RNA)
where:
Base-Base interactions energy: -444.115
where: short stacking energy: -214.875
Base-Backbone interact. energy: 0.044
local terms energy: -295.257544
where:
bonds (distance) C4'-P energy: -61.083
bonds (distance) P-C4' energy: -68.712
flat angles C4'-P-C4' energy: -70.047
flat angles P-C4'-P energy: -40.780
tors. eta vs tors. theta energy: -54.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -705.363209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.363209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.363209 (E_RNA)
where:
Base-Base interactions energy: -445.441
where: short stacking energy: -208.878
Base-Backbone interact. energy: -2.201
local terms energy: -257.721459
where:
bonds (distance) C4'-P energy: -47.871
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -50.662
flat angles P-C4'-P energy: -40.746
tors. eta vs tors. theta energy: -63.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -527.400374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.400374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.400374 (E_RNA)
where:
Base-Base interactions energy: -319.304
where: short stacking energy: -136.389
Base-Backbone interact. energy: 1.101
local terms energy: -209.197138
where:
bonds (distance) C4'-P energy: -55.364
bonds (distance) P-C4' energy: -52.562
flat angles C4'-P-C4' energy: -53.154
flat angles P-C4'-P energy: -43.292
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -323.162277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.162277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.162277 (E_RNA)
where:
Base-Base interactions energy: -132.964
where: short stacking energy: -94.616
Base-Backbone interact. energy: -2.357
local terms energy: -187.841794
where:
bonds (distance) C4'-P energy: -55.818
bonds (distance) P-C4' energy: -59.203
flat angles C4'-P-C4' energy: -44.899
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -358.112533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.112533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.112533 (E_RNA)
where:
Base-Base interactions energy: -171.621
where: short stacking energy: -98.590
Base-Backbone interact. energy: -1.304
local terms energy: -185.187223
where:
bonds (distance) C4'-P energy: -50.049
bonds (distance) P-C4' energy: -59.418
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -23.074
tors. eta vs tors. theta energy: 8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -290.893046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.893046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.893046 (E_RNA)
where:
Base-Base interactions energy: -105.307
where: short stacking energy: -70.408
Base-Backbone interact. energy: -1.067
local terms energy: -184.518927
where:
bonds (distance) C4'-P energy: -58.481
bonds (distance) P-C4' energy: -72.203
flat angles C4'-P-C4' energy: -36.812
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: 4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -272.015462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.015462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.015462 (E_RNA)
where:
Base-Base interactions energy: -93.029
where: short stacking energy: -82.112
Base-Backbone interact. energy: 0.199
local terms energy: -179.185238
where:
bonds (distance) C4'-P energy: -57.708
bonds (distance) P-C4' energy: -59.751
flat angles C4'-P-C4' energy: -44.550
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: 7.741
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: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1048.407354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.407354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.407354 (E_RNA)
where:
Base-Base interactions energy: -702.225
where: short stacking energy: -295.716
Base-Backbone interact. energy: -1.769
local terms energy: -344.414043
where:
bonds (distance) C4'-P energy: -62.215
bonds (distance) P-C4' energy: -70.491
flat angles C4'-P-C4' energy: -73.171
flat angles P-C4'-P energy: -40.430
tors. eta vs tors. theta energy: -98.108
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: 89
Temperature: 0.950000
Total energy: -929.056361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.056361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.056361 (E_RNA)
where:
Base-Base interactions energy: -605.574
where: short stacking energy: -261.120
Base-Backbone interact. energy: -1.741
local terms energy: -321.741786
where:
bonds (distance) C4'-P energy: -60.684
bonds (distance) P-C4' energy: -65.832
flat angles C4'-P-C4' energy: -74.947
flat angles P-C4'-P energy: -44.950
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: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -890.883561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.883561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.883561 (E_RNA)
where:
Base-Base interactions energy: -604.471
where: short stacking energy: -240.063
Base-Backbone interact. energy: 1.097
local terms energy: -287.509637
where:
bonds (distance) C4'-P energy: -56.534
bonds (distance) P-C4' energy: -61.486
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -40.235
tors. eta vs tors. theta energy: -64.284
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: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -776.345495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.345495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.345495 (E_RNA)
where:
Base-Base interactions energy: -472.775
where: short stacking energy: -239.538
Base-Backbone interact. energy: -1.167
local terms energy: -302.402623
where:
bonds (distance) C4'-P energy: -59.501
bonds (distance) P-C4' energy: -65.462
flat angles C4'-P-C4' energy: -71.442
flat angles P-C4'-P energy: -40.104
tors. eta vs tors. theta energy: -65.894
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: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -691.283169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.283169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.283169 (E_RNA)
where:
Base-Base interactions energy: -435.784
where: short stacking energy: -193.098
Base-Backbone interact. energy: -0.319
local terms energy: -255.179765
where:
bonds (distance) C4'-P energy: -58.974
bonds (distance) P-C4' energy: -46.074
flat angles C4'-P-C4' energy: -58.641
flat angles P-C4'-P energy: -42.477
tors. eta vs tors. theta energy: -49.014
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: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -577.333401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.333401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.333401 (E_RNA)
where:
Base-Base interactions energy: -350.467
where: short stacking energy: -130.674
Base-Backbone interact. energy: -0.728
local terms energy: -226.138744
where:
bonds (distance) C4'-P energy: -58.955
bonds (distance) P-C4' energy: -60.101
flat angles C4'-P-C4' energy: -44.586
flat angles P-C4'-P energy: -42.961
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -360.604598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.604598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.604598 (E_RNA)
where:
Base-Base interactions energy: -134.775
where: short stacking energy: -99.999
Base-Backbone interact. energy: 0.911
local terms energy: -226.740408
where:
bonds (distance) C4'-P energy: -58.450
bonds (distance) P-C4' energy: -70.375
flat angles C4'-P-C4' energy: -63.503
flat angles P-C4'-P energy: -27.674
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -301.827219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.827219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.827219 (E_RNA)
where:
Base-Base interactions energy: -113.338
where: short stacking energy: -75.967
Base-Backbone interact. energy: -0.692
local terms energy: -187.797075
where:
bonds (distance) C4'-P energy: -38.527
bonds (distance) P-C4' energy: -56.094
flat angles C4'-P-C4' energy: -63.629
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -275.094628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.094628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.094628 (E_RNA)
where:
Base-Base interactions energy: -122.175
where: short stacking energy: -59.558
Base-Backbone interact. energy: 3.189
local terms energy: -156.107972
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -56.816
flat angles C4'-P-C4' energy: -47.974
flat angles P-C4'-P energy: -33.497
tors. eta vs tors. theta energy: 18.552
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: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -269.947950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.947950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.947950 (E_RNA)
where:
Base-Base interactions energy: -96.508
where: short stacking energy: -68.278
Base-Backbone interact. energy: 0.045
local terms energy: -173.485356
where:
bonds (distance) C4'-P energy: -48.955
bonds (distance) P-C4' energy: -66.387
flat angles C4'-P-C4' energy: -43.079
flat angles P-C4'-P energy: -27.317
tors. eta vs tors. theta energy: 12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1026.829461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.829461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.829461 (E_RNA)
where:
Base-Base interactions energy: -687.844
where: short stacking energy: -287.820
Base-Backbone interact. energy: 0.348
local terms energy: -339.332962
where:
bonds (distance) C4'-P energy: -65.857
bonds (distance) P-C4' energy: -64.375
flat angles C4'-P-C4' energy: -78.579
flat angles P-C4'-P energy: -44.934
tors. eta vs tors. theta energy: -85.588
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: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -948.702724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.702724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.702724 (E_RNA)
where:
Base-Base interactions energy: -626.523
where: short stacking energy: -251.705
Base-Backbone interact. energy: 0.580
local terms energy: -322.760140
where:
bonds (distance) C4'-P energy: -70.212
bonds (distance) P-C4' energy: -66.388
flat angles C4'-P-C4' energy: -70.641
flat angles P-C4'-P energy: -47.492
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: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -896.037439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.037439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.037439 (E_RNA)
where:
Base-Base interactions energy: -601.873
where: short stacking energy: -253.711
Base-Backbone interact. energy: -1.231
local terms energy: -292.934003
where:
bonds (distance) C4'-P energy: -56.286
bonds (distance) P-C4' energy: -62.051
flat angles C4'-P-C4' energy: -56.622
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -79.129
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: 90
Temperature: 1.050000
Total energy: -796.887386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.887386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.887386 (E_RNA)
where:
Base-Base interactions energy: -504.275
where: short stacking energy: -240.518
Base-Backbone interact. energy: 0.038
local terms energy: -292.650217
where:
bonds (distance) C4'-P energy: -66.228
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -65.466
flat angles P-C4'-P energy: -42.467
tors. eta vs tors. theta energy: -70.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -699.679973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.679973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.679973 (E_RNA)
where:
Base-Base interactions energy: -425.486
where: short stacking energy: -197.305
Base-Backbone interact. energy: -3.427
local terms energy: -270.766558
where:
bonds (distance) C4'-P energy: -56.951
bonds (distance) P-C4' energy: -63.259
flat angles C4'-P-C4' energy: -59.358
flat angles P-C4'-P energy: -39.903
tors. eta vs tors. theta energy: -51.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -594.944057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.944057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.944057 (E_RNA)
where:
Base-Base interactions energy: -338.695
where: short stacking energy: -177.689
Base-Backbone interact. energy: -0.938
local terms energy: -255.311201
where:
bonds (distance) C4'-P energy: -60.179
bonds (distance) P-C4' energy: -63.121
flat angles C4'-P-C4' energy: -62.300
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -27.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -395.929916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.929916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.929916 (E_RNA)
where:
Base-Base interactions energy: -186.105
where: short stacking energy: -109.016
Base-Backbone interact. energy: 1.643
local terms energy: -211.468584
where:
bonds (distance) C4'-P energy: -59.246
bonds (distance) P-C4' energy: -68.038
flat angles C4'-P-C4' energy: -59.655
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -330.054296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.054296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.054296 (E_RNA)
where:
Base-Base interactions energy: -137.776
where: short stacking energy: -71.427
Base-Backbone interact. energy: 0.058
local terms energy: -192.336040
where:
bonds (distance) C4'-P energy: -60.214
bonds (distance) P-C4' energy: -66.799
flat angles C4'-P-C4' energy: -49.272
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: 4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -271.687193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.687193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.687193 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -76.115
Base-Backbone interact. energy: -1.954
local terms energy: -159.663201
where:
bonds (distance) C4'-P energy: -52.068
bonds (distance) P-C4' energy: -58.899
flat angles C4'-P-C4' energy: -40.044
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: 4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.654 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -263.078754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.078754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.078754 (E_RNA)
where:
Base-Base interactions energy: -113.522
where: short stacking energy: -70.421
Base-Backbone interact. energy: 5.557
local terms energy: -155.113216
where:
bonds (distance) C4'-P energy: -57.112
bonds (distance) P-C4' energy: -52.842
flat angles C4'-P-C4' energy: -38.046
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: 17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1049.723308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.723308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.723308 (E_RNA)
where:
Base-Base interactions energy: -681.421
where: short stacking energy: -286.124
Base-Backbone interact. energy: -1.617
local terms energy: -366.685265
where:
bonds (distance) C4'-P energy: -70.273
bonds (distance) P-C4' energy: -75.769
flat angles C4'-P-C4' energy: -80.434
flat angles P-C4'-P energy: -48.079
tors. eta vs tors. theta energy: -92.131
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: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -953.784731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.784731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.784731 (E_RNA)
where:
Base-Base interactions energy: -636.305
where: short stacking energy: -251.958
Base-Backbone interact. energy: -1.269
local terms energy: -316.210312
where:
bonds (distance) C4'-P energy: -60.298
bonds (distance) P-C4' energy: -71.245
flat angles C4'-P-C4' energy: -64.355
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -74.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -931.618312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.618312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.618312 (E_RNA)
where:
Base-Base interactions energy: -619.514
where: short stacking energy: -262.853
Base-Backbone interact. energy: -0.717
local terms energy: -311.387408
where:
bonds (distance) C4'-P energy: -62.477
bonds (distance) P-C4' energy: -64.506
flat angles C4'-P-C4' energy: -65.368
flat angles P-C4'-P energy: -44.461
tors. eta vs tors. theta energy: -74.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -798.132294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.132294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.132294 (E_RNA)
where:
Base-Base interactions energy: -490.104
where: short stacking energy: -223.497
Base-Backbone interact. energy: 1.569
local terms energy: -309.597168
where:
bonds (distance) C4'-P energy: -63.447
bonds (distance) P-C4' energy: -61.803
flat angles C4'-P-C4' energy: -69.015
flat angles P-C4'-P energy: -50.722
tors. eta vs tors. theta energy: -64.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -691.934680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.934680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.934680 (E_RNA)
where:
Base-Base interactions energy: -413.768
where: short stacking energy: -205.344
Base-Backbone interact. energy: -3.475
local terms energy: -274.691696
where:
bonds (distance) C4'-P energy: -71.751
bonds (distance) P-C4' energy: -64.880
flat angles C4'-P-C4' energy: -61.567
flat angles P-C4'-P energy: -39.499
tors. eta vs tors. theta energy: -36.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -588.857512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.857512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.857512 (E_RNA)
where:
Base-Base interactions energy: -309.280
where: short stacking energy: -150.040
Base-Backbone interact. energy: 0.406
local terms energy: -279.984161
where:
bonds (distance) C4'-P energy: -60.810
bonds (distance) P-C4' energy: -63.876
flat angles C4'-P-C4' energy: -64.791
flat angles P-C4'-P energy: -47.947
tors. eta vs tors. theta energy: -42.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -396.362493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.362493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.362493 (E_RNA)
where:
Base-Base interactions energy: -171.999
where: short stacking energy: -124.875
Base-Backbone interact. energy: -1.394
local terms energy: -222.969347
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -62.907
flat angles C4'-P-C4' energy: -49.095
flat angles P-C4'-P energy: -44.436
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -356.660898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.660898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.660898 (E_RNA)
where:
Base-Base interactions energy: -146.967
where: short stacking energy: -83.920
Base-Backbone interact. energy: 0.544
local terms energy: -210.237432
where:
bonds (distance) C4'-P energy: -58.988
bonds (distance) P-C4' energy: -59.528
flat angles C4'-P-C4' energy: -58.352
flat angles P-C4'-P energy: -25.759
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -276.523434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.523434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.523434 (E_RNA)
where:
Base-Base interactions energy: -98.588
where: short stacking energy: -61.109
Base-Backbone interact. energy: 3.970
local terms energy: -181.905065
where:
bonds (distance) C4'-P energy: -61.545
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -54.790
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: 14.348
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: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -297.304647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.304647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.304647 (E_RNA)
where:
Base-Base interactions energy: -122.630
where: short stacking energy: -76.697
Base-Backbone interact. energy: -0.582
local terms energy: -174.092507
where:
bonds (distance) C4'-P energy: -58.457
bonds (distance) P-C4' energy: -61.044
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -24.592
tors. eta vs tors. theta energy: 0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1056.083992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.083992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.083992 (E_RNA)
where:
Base-Base interactions energy: -695.679
where: short stacking energy: -298.115
Base-Backbone interact. energy: -0.380
local terms energy: -360.025462
where:
bonds (distance) C4'-P energy: -67.378
bonds (distance) P-C4' energy: -70.983
flat angles C4'-P-C4' energy: -70.319
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: -95.078
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: 92
Temperature: 0.950000
Total energy: -957.039401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.039401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.039401 (E_RNA)
where:
Base-Base interactions energy: -631.598
where: short stacking energy: -245.208
Base-Backbone interact. energy: -0.940
local terms energy: -324.501351
where:
bonds (distance) C4'-P energy: -67.655
bonds (distance) P-C4' energy: -72.847
flat angles C4'-P-C4' energy: -66.857
flat angles P-C4'-P energy: -45.737
tors. eta vs tors. theta energy: -71.405
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: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -951.588960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.588960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.588960 (E_RNA)
where:
Base-Base interactions energy: -645.399
where: short stacking energy: -241.179
Base-Backbone interact. energy: -0.943
local terms energy: -305.247119
where:
bonds (distance) C4'-P energy: -65.808
bonds (distance) P-C4' energy: -74.982
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -36.061
tors. eta vs tors. theta energy: -69.012
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: 92
Temperature: 1.050000
Total energy: -779.931422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.931422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.931422 (E_RNA)
where:
Base-Base interactions energy: -481.429
where: short stacking energy: -221.623
Base-Backbone interact. energy: 2.075
local terms energy: -300.576761
where:
bonds (distance) C4'-P energy: -73.552
bonds (distance) P-C4' energy: -63.194
flat angles C4'-P-C4' energy: -66.970
flat angles P-C4'-P energy: -38.286
tors. eta vs tors. theta energy: -58.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -636.361993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.361993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.361993 (E_RNA)
where:
Base-Base interactions energy: -382.542
where: short stacking energy: -170.998
Base-Backbone interact. energy: -2.219
local terms energy: -251.601400
where:
bonds (distance) C4'-P energy: -54.654
bonds (distance) P-C4' energy: -57.664
flat angles C4'-P-C4' energy: -59.336
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: -37.399
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: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -576.730395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.730395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.730395 (E_RNA)
where:
Base-Base interactions energy: -320.179
where: short stacking energy: -141.323
Base-Backbone interact. energy: -2.544
local terms energy: -254.007728
where:
bonds (distance) C4'-P energy: -65.006
bonds (distance) P-C4' energy: -63.440
flat angles C4'-P-C4' energy: -55.998
flat angles P-C4'-P energy: -39.685
tors. eta vs tors. theta energy: -29.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -396.543075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.543075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.543075 (E_RNA)
where:
Base-Base interactions energy: -161.972
where: short stacking energy: -116.602
Base-Backbone interact. energy: -0.963
local terms energy: -233.608654
where:
bonds (distance) C4'-P energy: -60.627
bonds (distance) P-C4' energy: -61.753
flat angles C4'-P-C4' energy: -54.019
flat angles P-C4'-P energy: -40.098
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -304.525840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.525840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.525840 (E_RNA)
where:
Base-Base interactions energy: -110.502
where: short stacking energy: -89.901
Base-Backbone interact. energy: -1.842
local terms energy: -192.181797
where:
bonds (distance) C4'-P energy: -62.055
bonds (distance) P-C4' energy: -62.745
flat angles C4'-P-C4' energy: -50.518
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -269.660956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.660956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.660956 (E_RNA)
where:
Base-Base interactions energy: -97.419
where: short stacking energy: -73.301
Base-Backbone interact. energy: 1.147
local terms energy: -173.389447
where:
bonds (distance) C4'-P energy: -53.442
bonds (distance) P-C4' energy: -63.193
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: 8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -269.937523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.937523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.937523 (E_RNA)
where:
Base-Base interactions energy: -85.904
where: short stacking energy: -69.581
Base-Backbone interact. energy: -1.875
local terms energy: -182.157751
where:
bonds (distance) C4'-P energy: -65.616
bonds (distance) P-C4' energy: -63.917
flat angles C4'-P-C4' energy: -42.618
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: 21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1042.662933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.662933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.662933 (E_RNA)
where:
Base-Base interactions energy: -689.596
where: short stacking energy: -291.292
Base-Backbone interact. energy: -0.106
local terms energy: -352.960431
where:
bonds (distance) C4'-P energy: -73.953
bonds (distance) P-C4' energy: -66.281
flat angles C4'-P-C4' energy: -66.549
flat angles P-C4'-P energy: -49.912
tors. eta vs tors. theta energy: -96.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -951.005200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.005200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.005200 (E_RNA)
where:
Base-Base interactions energy: -623.070
where: short stacking energy: -272.832
Base-Backbone interact. energy: -1.039
local terms energy: -326.896710
where:
bonds (distance) C4'-P energy: -70.992
bonds (distance) P-C4' energy: -68.533
flat angles C4'-P-C4' energy: -65.141
flat angles P-C4'-P energy: -52.390
tors. eta vs tors. theta energy: -69.841
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: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -915.713882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.713882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.713882 (E_RNA)
where:
Base-Base interactions energy: -619.272
where: short stacking energy: -233.172
Base-Backbone interact. energy: -0.598
local terms energy: -295.843709
where:
bonds (distance) C4'-P energy: -55.667
bonds (distance) P-C4' energy: -67.335
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: -62.840
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: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -758.788591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.788591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.788591 (E_RNA)
where:
Base-Base interactions energy: -484.094
where: short stacking energy: -219.791
Base-Backbone interact. energy: -0.345
local terms energy: -274.349374
where:
bonds (distance) C4'-P energy: -60.964
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -59.116
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -55.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -628.581730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.581730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.581730 (E_RNA)
where:
Base-Base interactions energy: -391.202
where: short stacking energy: -156.552
Base-Backbone interact. energy: 1.384
local terms energy: -238.763378
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -60.858
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -23.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -587.995696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.995696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.995696 (E_RNA)
where:
Base-Base interactions energy: -344.502
where: short stacking energy: -168.062
Base-Backbone interact. energy: -1.205
local terms energy: -242.288471
where:
bonds (distance) C4'-P energy: -65.632
bonds (distance) P-C4' energy: -58.297
flat angles C4'-P-C4' energy: -56.510
flat angles P-C4'-P energy: -34.695
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: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -375.543725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.543725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.543725 (E_RNA)
where:
Base-Base interactions energy: -169.487
where: short stacking energy: -117.581
Base-Backbone interact. energy: 1.482
local terms energy: -207.538027
where:
bonds (distance) C4'-P energy: -54.033
bonds (distance) P-C4' energy: -64.262
flat angles C4'-P-C4' energy: -52.314
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -322.753336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.753336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.753336 (E_RNA)
where:
Base-Base interactions energy: -129.272
where: short stacking energy: -91.213
Base-Backbone interact. energy: -1.100
local terms energy: -192.381624
where:
bonds (distance) C4'-P energy: -55.759
bonds (distance) P-C4' energy: -53.486
flat angles C4'-P-C4' energy: -46.174
flat angles P-C4'-P energy: -35.994
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -313.073088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.073088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.073088 (E_RNA)
where:
Base-Base interactions energy: -133.566
where: short stacking energy: -58.441
Base-Backbone interact. energy: 2.235
local terms energy: -181.742020
where:
bonds (distance) C4'-P energy: -70.019
bonds (distance) P-C4' energy: -48.575
flat angles C4'-P-C4' energy: -51.205
flat angles P-C4'-P energy: -31.452
tors. eta vs tors. theta energy: 19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -262.499149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.499149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.499149 (E_RNA)
where:
Base-Base interactions energy: -87.172
where: short stacking energy: -68.654
Base-Backbone interact. energy: 1.596
local terms energy: -176.923485
where:
bonds (distance) C4'-P energy: -54.706
bonds (distance) P-C4' energy: -64.468
flat angles C4'-P-C4' energy: -47.267
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: 20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1084.198976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.198976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.198976 (E_RNA)
where:
Base-Base interactions energy: -715.363
where: short stacking energy: -295.919
Base-Backbone interact. energy: -0.680
local terms energy: -368.155851
where:
bonds (distance) C4'-P energy: -59.624
bonds (distance) P-C4' energy: -75.876
flat angles C4'-P-C4' energy: -73.930
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -101.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -961.738328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.738328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.738328 (E_RNA)
where:
Base-Base interactions energy: -645.923
where: short stacking energy: -281.174
Base-Backbone interact. energy: -1.663
local terms energy: -314.152342
where:
bonds (distance) C4'-P energy: -71.105
bonds (distance) P-C4' energy: -64.891
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -40.970
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: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -919.881769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.881769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.881769 (E_RNA)
where:
Base-Base interactions energy: -615.744
where: short stacking energy: -246.370
Base-Backbone interact. energy: -3.537
local terms energy: -300.600611
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -62.489
flat angles C4'-P-C4' energy: -66.837
flat angles P-C4'-P energy: -39.133
tors. eta vs tors. theta energy: -77.113
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: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -748.691926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.691926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.691926 (E_RNA)
where:
Base-Base interactions energy: -456.559
where: short stacking energy: -216.323
Base-Backbone interact. energy: -0.706
local terms energy: -291.426604
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -72.430
flat angles C4'-P-C4' energy: -59.853
flat angles P-C4'-P energy: -34.635
tors. eta vs tors. theta energy: -59.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -663.792490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.792490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.792490 (E_RNA)
where:
Base-Base interactions energy: -384.117
where: short stacking energy: -168.421
Base-Backbone interact. energy: -1.966
local terms energy: -277.708995
where:
bonds (distance) C4'-P energy: -63.145
bonds (distance) P-C4' energy: -72.748
flat angles C4'-P-C4' energy: -59.212
flat angles P-C4'-P energy: -36.214
tors. eta vs tors. theta energy: -46.390
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: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -564.273031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.273031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.273031 (E_RNA)
where:
Base-Base interactions energy: -316.848
where: short stacking energy: -153.209
Base-Backbone interact. energy: -3.121
local terms energy: -244.303991
where:
bonds (distance) C4'-P energy: -62.752
bonds (distance) P-C4' energy: -58.301
flat angles C4'-P-C4' energy: -48.932
flat angles P-C4'-P energy: -48.813
tors. eta vs tors. theta energy: -25.506
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: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -352.991671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.991671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.991671 (E_RNA)
where:
Base-Base interactions energy: -133.991
where: short stacking energy: -113.044
Base-Backbone interact. energy: 1.742
local terms energy: -221.335310
where:
bonds (distance) C4'-P energy: -45.769
bonds (distance) P-C4' energy: -63.615
flat angles C4'-P-C4' energy: -59.706
flat angles P-C4'-P energy: -37.376
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.593 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -299.576895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.576895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.576895 (E_RNA)
where:
Base-Base interactions energy: -97.868
where: short stacking energy: -84.603
Base-Backbone interact. energy: -0.824
local terms energy: -200.884250
where:
bonds (distance) C4'-P energy: -53.367
bonds (distance) P-C4' energy: -70.634
flat angles C4'-P-C4' energy: -52.633
flat angles P-C4'-P energy: -27.860
tors. eta vs tors. theta energy: 3.609
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: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -272.316118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.316118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.316118 (E_RNA)
where:
Base-Base interactions energy: -93.216
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.796
local terms energy: -178.303574
where:
bonds (distance) C4'-P energy: -48.627
bonds (distance) P-C4' energy: -65.513
flat angles C4'-P-C4' energy: -53.486
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: 6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -277.951243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.951243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.951243 (E_RNA)
where:
Base-Base interactions energy: -104.477
where: short stacking energy: -64.467
Base-Backbone interact. energy: -0.995
local terms energy: -172.478707
where:
bonds (distance) C4'-P energy: -55.837
bonds (distance) P-C4' energy: -51.561
flat angles C4'-P-C4' energy: -58.095
flat angles P-C4'-P energy: -29.719
tors. eta vs tors. theta energy: 22.733
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: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1085.423891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.423891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.423891 (E_RNA)
where:
Base-Base interactions energy: -720.842
where: short stacking energy: -314.306
Base-Backbone interact. energy: -0.758
local terms energy: -363.824066
where:
bonds (distance) C4'-P energy: -65.233
bonds (distance) P-C4' energy: -64.479
flat angles C4'-P-C4' energy: -77.851
flat angles P-C4'-P energy: -48.612
tors. eta vs tors. theta energy: -107.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -976.659744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.659744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.659744 (E_RNA)
where:
Base-Base interactions energy: -664.246
where: short stacking energy: -275.105
Base-Backbone interact. energy: -3.704
local terms energy: -308.710477
where:
bonds (distance) C4'-P energy: -54.356
bonds (distance) P-C4' energy: -55.963
flat angles C4'-P-C4' energy: -69.370
flat angles P-C4'-P energy: -45.994
tors. eta vs tors. theta energy: -83.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -909.536149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.536149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.536149 (E_RNA)
where:
Base-Base interactions energy: -593.312
where: short stacking energy: -239.094
Base-Backbone interact. energy: -2.086
local terms energy: -314.137344
where:
bonds (distance) C4'-P energy: -72.593
bonds (distance) P-C4' energy: -61.185
flat angles C4'-P-C4' energy: -73.213
flat angles P-C4'-P energy: -42.819
tors. eta vs tors. theta energy: -64.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -781.512629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.512629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.512629 (E_RNA)
where:
Base-Base interactions energy: -477.900
where: short stacking energy: -212.031
Base-Backbone interact. energy: -1.467
local terms energy: -302.144897
where:
bonds (distance) C4'-P energy: -58.942
bonds (distance) P-C4' energy: -58.612
flat angles C4'-P-C4' energy: -64.115
flat angles P-C4'-P energy: -49.896
tors. eta vs tors. theta energy: -70.578
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: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -669.100357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.100357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.100357 (E_RNA)
where:
Base-Base interactions energy: -387.283
where: short stacking energy: -184.227
Base-Backbone interact. energy: -0.875
local terms energy: -280.942865
where:
bonds (distance) C4'-P energy: -67.023
bonds (distance) P-C4' energy: -66.497
flat angles C4'-P-C4' energy: -58.665
flat angles P-C4'-P energy: -39.972
tors. eta vs tors. theta energy: -48.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -551.049044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.049044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.049044 (E_RNA)
where:
Base-Base interactions energy: -320.449
where: short stacking energy: -135.192
Base-Backbone interact. energy: -2.365
local terms energy: -228.235312
where:
bonds (distance) C4'-P energy: -55.828
bonds (distance) P-C4' energy: -60.148
flat angles C4'-P-C4' energy: -47.582
flat angles P-C4'-P energy: -36.394
tors. eta vs tors. theta energy: -28.283
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: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -320.837662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.837662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.837662 (E_RNA)
where:
Base-Base interactions energy: -114.342
where: short stacking energy: -88.697
Base-Backbone interact. energy: 1.316
local terms energy: -207.812130
where:
bonds (distance) C4'-P energy: -58.492
bonds (distance) P-C4' energy: -63.260
flat angles C4'-P-C4' energy: -48.773
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -305.695544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.695544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.695544 (E_RNA)
where:
Base-Base interactions energy: -129.434
where: short stacking energy: -78.358
Base-Backbone interact. energy: -2.693
local terms energy: -173.568756
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -59.416
flat angles C4'-P-C4' energy: -54.328
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: 0.264
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: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -307.363083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.363083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.363083 (E_RNA)
where:
Base-Base interactions energy: -101.282
where: short stacking energy: -69.384
Base-Backbone interact. energy: -1.143
local terms energy: -204.937892
where:
bonds (distance) C4'-P energy: -62.412
bonds (distance) P-C4' energy: -57.403
flat angles C4'-P-C4' energy: -58.946
flat angles P-C4'-P energy: -33.398
tors. eta vs tors. theta energy: 7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -263.018346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.018346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.018346 (E_RNA)
where:
Base-Base interactions energy: -94.198
where: short stacking energy: -60.737
Base-Backbone interact. energy: 0.463
local terms energy: -169.283417
where:
bonds (distance) C4'-P energy: -54.259
bonds (distance) P-C4' energy: -44.954
flat angles C4'-P-C4' energy: -39.890
flat angles P-C4'-P energy: -37.581
tors. eta vs tors. theta energy: 7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1083.034108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.034108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.034108 (E_RNA)
where:
Base-Base interactions energy: -711.255
where: short stacking energy: -306.953
Base-Backbone interact. energy: -0.456
local terms energy: -371.322820
where:
bonds (distance) C4'-P energy: -77.997
bonds (distance) P-C4' energy: -67.083
flat angles C4'-P-C4' energy: -73.919
flat angles P-C4'-P energy: -40.999
tors. eta vs tors. theta energy: -111.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -961.356821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.356821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.356821 (E_RNA)
where:
Base-Base interactions energy: -630.076
where: short stacking energy: -257.074
Base-Backbone interact. energy: -1.510
local terms energy: -329.770874
where:
bonds (distance) C4'-P energy: -65.503
bonds (distance) P-C4' energy: -73.238
flat angles C4'-P-C4' energy: -72.801
flat angles P-C4'-P energy: -43.668
tors. eta vs tors. theta energy: -74.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -929.876353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.876353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.876353 (E_RNA)
where:
Base-Base interactions energy: -629.723
where: short stacking energy: -246.618
Base-Backbone interact. energy: -1.708
local terms energy: -298.445729
where:
bonds (distance) C4'-P energy: -55.208
bonds (distance) P-C4' energy: -62.858
flat angles C4'-P-C4' energy: -68.427
flat angles P-C4'-P energy: -44.869
tors. eta vs tors. theta energy: -67.084
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: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -792.337808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.337808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.337808 (E_RNA)
where:
Base-Base interactions energy: -494.666
where: short stacking energy: -229.532
Base-Backbone interact. energy: -3.036
local terms energy: -294.636184
where:
bonds (distance) C4'-P energy: -57.315
bonds (distance) P-C4' energy: -59.537
flat angles C4'-P-C4' energy: -68.220
flat angles P-C4'-P energy: -49.993
tors. eta vs tors. theta energy: -59.571
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: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -609.245642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.245642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.245642 (E_RNA)
where:
Base-Base interactions energy: -362.779
where: short stacking energy: -159.008
Base-Backbone interact. energy: -1.413
local terms energy: -245.053961
where:
bonds (distance) C4'-P energy: -58.378
bonds (distance) P-C4' energy: -66.956
flat angles C4'-P-C4' energy: -59.551
flat angles P-C4'-P energy: -35.561
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -612.758757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.758757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.758757 (E_RNA)
where:
Base-Base interactions energy: -364.637
where: short stacking energy: -180.671
Base-Backbone interact. energy: 1.424
local terms energy: -249.545622
where:
bonds (distance) C4'-P energy: -54.424
bonds (distance) P-C4' energy: -66.398
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -33.357
tors. eta vs tors. theta energy: -37.153
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: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -321.886136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.886136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.886136 (E_RNA)
where:
Base-Base interactions energy: -137.741
where: short stacking energy: -82.010
Base-Backbone interact. energy: 2.232
local terms energy: -186.377750
where:
bonds (distance) C4'-P energy: -52.139
bonds (distance) P-C4' energy: -43.913
flat angles C4'-P-C4' energy: -59.078
flat angles P-C4'-P energy: -40.208
tors. eta vs tors. theta energy: 8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -340.862816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.862816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.862816 (E_RNA)
where:
Base-Base interactions energy: -161.322
where: short stacking energy: -106.858
Base-Backbone interact. energy: -1.403
local terms energy: -178.137652
where:
bonds (distance) C4'-P energy: -40.421
bonds (distance) P-C4' energy: -51.824
flat angles C4'-P-C4' energy: -43.639
flat angles P-C4'-P energy: -26.678
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -280.291349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.291349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.291349 (E_RNA)
where:
Base-Base interactions energy: -98.555
where: short stacking energy: -77.694
Base-Backbone interact. energy: 4.102
local terms energy: -185.838689
where:
bonds (distance) C4'-P energy: -52.088
bonds (distance) P-C4' energy: -68.439
flat angles C4'-P-C4' energy: -47.005
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: 16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -263.916476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.916476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.916476 (E_RNA)
where:
Base-Base interactions energy: -97.710
where: short stacking energy: -78.335
Base-Backbone interact. energy: 3.686
local terms energy: -169.893166
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -65.203
flat angles C4'-P-C4' energy: -43.650
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: 5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1098.337741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.337741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.337741 (E_RNA)
where:
Base-Base interactions energy: -709.995
where: short stacking energy: -301.892
Base-Backbone interact. energy: -0.200
local terms energy: -388.143404
where:
bonds (distance) C4'-P energy: -71.251
bonds (distance) P-C4' energy: -72.713
flat angles C4'-P-C4' energy: -78.443
flat angles P-C4'-P energy: -53.014
tors. eta vs tors. theta energy: -112.723
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: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -965.171867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.171867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.171867 (E_RNA)
where:
Base-Base interactions energy: -663.261
where: short stacking energy: -282.738
Base-Backbone interact. energy: -1.450
local terms energy: -300.461609
where:
bonds (distance) C4'-P energy: -61.659
bonds (distance) P-C4' energy: -56.883
flat angles C4'-P-C4' energy: -57.626
flat angles P-C4'-P energy: -46.219
tors. eta vs tors. theta energy: -78.075
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: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -928.830396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.830396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.830396 (E_RNA)
where:
Base-Base interactions energy: -616.605
where: short stacking energy: -257.005
Base-Backbone interact. energy: -0.485
local terms energy: -311.739844
where:
bonds (distance) C4'-P energy: -54.271
bonds (distance) P-C4' energy: -63.239
flat angles C4'-P-C4' energy: -71.592
flat angles P-C4'-P energy: -49.583
tors. eta vs tors. theta energy: -73.055
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: 97
Temperature: 1.050000
Total energy: -789.346294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.346294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.346294 (E_RNA)
where:
Base-Base interactions energy: -490.513
where: short stacking energy: -229.045
Base-Backbone interact. energy: -0.214
local terms energy: -298.619945
where:
bonds (distance) C4'-P energy: -51.517
bonds (distance) P-C4' energy: -63.886
flat angles C4'-P-C4' energy: -72.829
flat angles P-C4'-P energy: -50.835
tors. eta vs tors. theta energy: -59.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -614.737574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.737574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.737574 (E_RNA)
where:
Base-Base interactions energy: -360.347
where: short stacking energy: -149.807
Base-Backbone interact. energy: -2.367
local terms energy: -252.024138
where:
bonds (distance) C4'-P energy: -57.527
bonds (distance) P-C4' energy: -65.548
flat angles C4'-P-C4' energy: -56.754
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: -29.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -609.956583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.956583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.956583 (E_RNA)
where:
Base-Base interactions energy: -345.801
where: short stacking energy: -154.427
Base-Backbone interact. energy: 0.522
local terms energy: -264.677949
where:
bonds (distance) C4'-P energy: -67.595
bonds (distance) P-C4' energy: -64.087
flat angles C4'-P-C4' energy: -66.433
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -23.967
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: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -351.813239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.813239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.813239 (E_RNA)
where:
Base-Base interactions energy: -151.799
where: short stacking energy: -93.247
Base-Backbone interact. energy: 0.186
local terms energy: -200.200229
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -50.656
flat angles P-C4'-P energy: -31.144
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -292.062101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.062101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.062101 (E_RNA)
where:
Base-Base interactions energy: -114.424
where: short stacking energy: -90.484
Base-Backbone interact. energy: -1.669
local terms energy: -175.969233
where:
bonds (distance) C4'-P energy: -60.653
bonds (distance) P-C4' energy: -48.485
flat angles C4'-P-C4' energy: -45.881
flat angles P-C4'-P energy: -25.147
tors. eta vs tors. theta energy: 4.197
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: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -324.474875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.474875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.474875 (E_RNA)
where:
Base-Base interactions energy: -153.009
where: short stacking energy: -85.731
Base-Backbone interact. energy: -0.477
local terms energy: -170.989092
where:
bonds (distance) C4'-P energy: -61.856
bonds (distance) P-C4' energy: -49.297
flat angles C4'-P-C4' energy: -49.919
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: 9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -301.613019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.613019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.613019 (E_RNA)
where:
Base-Base interactions energy: -114.463
where: short stacking energy: -77.551
Base-Backbone interact. energy: -2.940
local terms energy: -184.210142
where:
bonds (distance) C4'-P energy: -52.173
bonds (distance) P-C4' energy: -66.413
flat angles C4'-P-C4' energy: -50.625
flat angles P-C4'-P energy: -24.381
tors. eta vs tors. theta energy: 9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1060.596854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.596854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.596854 (E_RNA)
where:
Base-Base interactions energy: -689.611
where: short stacking energy: -314.028
Base-Backbone interact. energy: -0.735
local terms energy: -370.250449
where:
bonds (distance) C4'-P energy: -71.426
bonds (distance) P-C4' energy: -68.196
flat angles C4'-P-C4' energy: -77.318
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -100.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -993.465966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.465966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.465966 (E_RNA)
where:
Base-Base interactions energy: -668.888
where: short stacking energy: -286.673
Base-Backbone interact. energy: -1.876
local terms energy: -322.702044
where:
bonds (distance) C4'-P energy: -57.805
bonds (distance) P-C4' energy: -67.183
flat angles C4'-P-C4' energy: -68.729
flat angles P-C4'-P energy: -50.344
tors. eta vs tors. theta energy: -78.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -903.711968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.711968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.711968 (E_RNA)
where:
Base-Base interactions energy: -593.899
where: short stacking energy: -239.421
Base-Backbone interact. energy: -0.938
local terms energy: -308.874586
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -66.052
flat angles C4'-P-C4' energy: -76.020
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -63.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -768.344242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.344242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.344242 (E_RNA)
where:
Base-Base interactions energy: -453.512
where: short stacking energy: -219.082
Base-Backbone interact. energy: -1.615
local terms energy: -313.216921
where:
bonds (distance) C4'-P energy: -68.545
bonds (distance) P-C4' energy: -59.987
flat angles C4'-P-C4' energy: -65.210
flat angles P-C4'-P energy: -55.965
tors. eta vs tors. theta energy: -63.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -653.455701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.455701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.455701 (E_RNA)
where:
Base-Base interactions energy: -397.375
where: short stacking energy: -169.507
Base-Backbone interact. energy: -0.479
local terms energy: -255.601824
where:
bonds (distance) C4'-P energy: -55.233
bonds (distance) P-C4' energy: -66.677
flat angles C4'-P-C4' energy: -67.081
flat angles P-C4'-P energy: -33.497
tors. eta vs tors. theta energy: -33.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -621.545303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.545303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.545303 (E_RNA)
where:
Base-Base interactions energy: -379.733
where: short stacking energy: -164.618
Base-Backbone interact. energy: -2.323
local terms energy: -239.488854
where:
bonds (distance) C4'-P energy: -40.657
bonds (distance) P-C4' energy: -73.124
flat angles C4'-P-C4' energy: -53.189
flat angles P-C4'-P energy: -38.643
tors. eta vs tors. theta energy: -33.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -375.163622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.163622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.163622 (E_RNA)
where:
Base-Base interactions energy: -173.063
where: short stacking energy: -100.257
Base-Backbone interact. energy: -0.155
local terms energy: -201.945968
where:
bonds (distance) C4'-P energy: -52.219
bonds (distance) P-C4' energy: -70.290
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: 2.362
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: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -310.730194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.730194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.730194 (E_RNA)
where:
Base-Base interactions energy: -100.795
where: short stacking energy: -82.151
Base-Backbone interact. energy: 2.783
local terms energy: -212.718292
where:
bonds (distance) C4'-P energy: -56.868
bonds (distance) P-C4' energy: -62.192
flat angles C4'-P-C4' energy: -55.219
flat angles P-C4'-P energy: -38.184
tors. eta vs tors. theta energy: -0.256
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: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -292.600826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.600826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.600826 (E_RNA)
where:
Base-Base interactions energy: -111.293
where: short stacking energy: -82.899
Base-Backbone interact. energy: -1.362
local terms energy: -179.945678
where:
bonds (distance) C4'-P energy: -57.436
bonds (distance) P-C4' energy: -59.225
flat angles C4'-P-C4' energy: -53.819
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: 19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -256.666145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.666145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.666145 (E_RNA)
where:
Base-Base interactions energy: -71.106
where: short stacking energy: -61.317
Base-Backbone interact. energy: -1.500
local terms energy: -184.060868
where:
bonds (distance) C4'-P energy: -64.252
bonds (distance) P-C4' energy: -52.428
flat angles C4'-P-C4' energy: -43.872
flat angles P-C4'-P energy: -28.585
tors. eta vs tors. theta energy: 5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1078.599892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.599892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.599892 (E_RNA)
where:
Base-Base interactions energy: -718.975
where: short stacking energy: -318.835
Base-Backbone interact. energy: -0.269
local terms energy: -359.355728
where:
bonds (distance) C4'-P energy: -63.087
bonds (distance) P-C4' energy: -69.367
flat angles C4'-P-C4' energy: -73.437
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: -108.596
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: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -990.400718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.400718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.400718 (E_RNA)
where:
Base-Base interactions energy: -672.586
where: short stacking energy: -267.786
Base-Backbone interact. energy: 0.778
local terms energy: -318.593050
where:
bonds (distance) C4'-P energy: -60.602
bonds (distance) P-C4' energy: -67.675
flat angles C4'-P-C4' energy: -68.413
flat angles P-C4'-P energy: -42.324
tors. eta vs tors. theta energy: -79.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -878.085242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.085242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.085242 (E_RNA)
where:
Base-Base interactions energy: -575.907
where: short stacking energy: -227.921
Base-Backbone interact. energy: -2.207
local terms energy: -299.971510
where:
bonds (distance) C4'-P energy: -60.290
bonds (distance) P-C4' energy: -68.113
flat angles C4'-P-C4' energy: -67.455
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: -68.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -803.148660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.148660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.148660 (E_RNA)
where:
Base-Base interactions energy: -508.463
where: short stacking energy: -241.532
Base-Backbone interact. energy: 0.068
local terms energy: -294.754337
where:
bonds (distance) C4'-P energy: -54.133
bonds (distance) P-C4' energy: -68.152
flat angles C4'-P-C4' energy: -60.312
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -65.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -648.978944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.978944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.978944 (E_RNA)
where:
Base-Base interactions energy: -407.783
where: short stacking energy: -190.354
Base-Backbone interact. energy: -1.457
local terms energy: -239.739038
where:
bonds (distance) C4'-P energy: -50.191
bonds (distance) P-C4' energy: -60.763
flat angles C4'-P-C4' energy: -47.730
flat angles P-C4'-P energy: -43.600
tors. eta vs tors. theta energy: -37.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -608.812361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.812361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.812361 (E_RNA)
where:
Base-Base interactions energy: -377.956
where: short stacking energy: -171.268
Base-Backbone interact. energy: -0.275
local terms energy: -230.582089
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -66.609
flat angles C4'-P-C4' energy: -50.200
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -35.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -336.255814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.255814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.255814 (E_RNA)
where:
Base-Base interactions energy: -139.573
where: short stacking energy: -90.962
Base-Backbone interact. energy: 2.338
local terms energy: -199.020433
where:
bonds (distance) C4'-P energy: -52.473
bonds (distance) P-C4' energy: -69.914
flat angles C4'-P-C4' energy: -55.026
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -317.559718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.559718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.559718 (E_RNA)
where:
Base-Base interactions energy: -123.396
where: short stacking energy: -81.238
Base-Backbone interact. energy: -0.681
local terms energy: -193.482376
where:
bonds (distance) C4'-P energy: -65.563
bonds (distance) P-C4' energy: -59.203
flat angles C4'-P-C4' energy: -42.097
flat angles P-C4'-P energy: -37.131
tors. eta vs tors. theta energy: 10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -325.127187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.127187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.127187 (E_RNA)
where:
Base-Base interactions energy: -129.074
where: short stacking energy: -85.801
Base-Backbone interact. energy: -1.692
local terms energy: -194.361574
where:
bonds (distance) C4'-P energy: -48.916
bonds (distance) P-C4' energy: -53.160
flat angles C4'-P-C4' energy: -64.013
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -265.477323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.477323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.477323 (E_RNA)
where:
Base-Base interactions energy: -71.462
where: short stacking energy: -65.068
Base-Backbone interact. energy: 1.382
local terms energy: -195.397365
where:
bonds (distance) C4'-P energy: -63.691
bonds (distance) P-C4' energy: -65.121
flat angles C4'-P-C4' energy: -52.236
flat angles P-C4'-P energy: -23.672
tors. eta vs tors. theta energy: 9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1101.033968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.033968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.033968 (E_RNA)
where:
Base-Base interactions energy: -734.341
where: short stacking energy: -332.924
Base-Backbone interact. energy: 2.075
local terms energy: -368.768598
where:
bonds (distance) C4'-P energy: -59.787
bonds (distance) P-C4' energy: -75.718
flat angles C4'-P-C4' energy: -76.798
flat angles P-C4'-P energy: -48.297
tors. eta vs tors. theta energy: -108.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -982.881816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.881816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.881816 (E_RNA)
where:
Base-Base interactions energy: -679.679
where: short stacking energy: -270.085
Base-Backbone interact. energy: 3.272
local terms energy: -306.474683
where:
bonds (distance) C4'-P energy: -59.924
bonds (distance) P-C4' energy: -57.417
flat angles C4'-P-C4' energy: -69.016
flat angles P-C4'-P energy: -44.159
tors. eta vs tors. theta energy: -75.958
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: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -876.371327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.371327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.371327 (E_RNA)
where:
Base-Base interactions energy: -573.682
where: short stacking energy: -243.691
Base-Backbone interact. energy: -1.988
local terms energy: -300.882298
where:
bonds (distance) C4'-P energy: -52.959
bonds (distance) P-C4' energy: -62.493
flat angles C4'-P-C4' energy: -68.170
flat angles P-C4'-P energy: -43.282
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: 0.181 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -785.156028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.156028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.156028 (E_RNA)
where:
Base-Base interactions energy: -484.044
where: short stacking energy: -230.862
Base-Backbone interact. energy: -0.643
local terms energy: -300.468984
where:
bonds (distance) C4'-P energy: -62.108
bonds (distance) P-C4' energy: -65.726
flat angles C4'-P-C4' energy: -69.290
flat angles P-C4'-P energy: -39.250
tors. eta vs tors. theta energy: -64.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -695.614910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.614910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.614910 (E_RNA)
where:
Base-Base interactions energy: -431.479
where: short stacking energy: -197.619
Base-Backbone interact. energy: 2.983
local terms energy: -267.118205
where:
bonds (distance) C4'-P energy: -59.077
bonds (distance) P-C4' energy: -66.602
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -49.109
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: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -583.298956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.298956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.298956 (E_RNA)
where:
Base-Base interactions energy: -347.212
where: short stacking energy: -156.150
Base-Backbone interact. energy: -0.060
local terms energy: -236.026353
where:
bonds (distance) C4'-P energy: -56.618
bonds (distance) P-C4' energy: -65.575
flat angles C4'-P-C4' energy: -60.753
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: -24.812
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: 100
Temperature: 1.200000
Total energy: -328.284595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.284595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.284595 (E_RNA)
where:
Base-Base interactions energy: -116.421
where: short stacking energy: -71.889
Base-Backbone interact. energy: -0.114
local terms energy: -211.750044
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -63.506
flat angles C4'-P-C4' energy: -58.416
flat angles P-C4'-P energy: -28.598
tors. eta vs tors. theta energy: 3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -315.150796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.150796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.150796 (E_RNA)
where:
Base-Base interactions energy: -117.922
where: short stacking energy: -77.163
Base-Backbone interact. energy: -1.236
local terms energy: -195.992704
where:
bonds (distance) C4'-P energy: -53.087
bonds (distance) P-C4' energy: -64.581
flat angles C4'-P-C4' energy: -45.843
flat angles P-C4'-P energy: -31.147
tors. eta vs tors. theta energy: -1.334
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: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -272.091678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.091678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.091678 (E_RNA)
where:
Base-Base interactions energy: -72.869
where: short stacking energy: -58.794
Base-Backbone interact. energy: 4.577
local terms energy: -203.800081
where:
bonds (distance) C4'-P energy: -63.913
bonds (distance) P-C4' energy: -71.254
flat angles C4'-P-C4' energy: -47.771
flat angles P-C4'-P energy: -34.566
tors. eta vs tors. theta energy: 13.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -265.356607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.356607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.356607 (E_RNA)
where:
Base-Base interactions energy: -67.547
where: short stacking energy: -62.372
Base-Backbone interact. energy: 0.457
local terms energy: -198.266382
where:
bonds (distance) C4'-P energy: -61.207
bonds (distance) P-C4' energy: -76.867
flat angles C4'-P-C4' energy: -47.068
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: 9.862
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: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1133.999942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.999942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.999942 (E_RNA)
where:
Base-Base interactions energy: -740.824
where: short stacking energy: -321.823
Base-Backbone interact. energy: -0.080
local terms energy: -393.095464
where:
bonds (distance) C4'-P energy: -65.853
bonds (distance) P-C4' energy: -77.373
flat angles C4'-P-C4' energy: -82.933
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: -117.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -969.320395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.320395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.320395 (E_RNA)
where:
Base-Base interactions energy: -667.276
where: short stacking energy: -254.823
Base-Backbone interact. energy: -0.243
local terms energy: -301.800677
where:
bonds (distance) C4'-P energy: -65.292
bonds (distance) P-C4' energy: -59.357
flat angles C4'-P-C4' energy: -68.666
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: -68.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -882.058465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.058465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.058465 (E_RNA)
where:
Base-Base interactions energy: -581.645
where: short stacking energy: -239.984
Base-Backbone interact. energy: -0.333
local terms energy: -300.080822
where:
bonds (distance) C4'-P energy: -72.388
bonds (distance) P-C4' energy: -59.495
flat angles C4'-P-C4' energy: -61.258
flat angles P-C4'-P energy: -51.092
tors. eta vs tors. theta energy: -55.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -734.174609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.174609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.174609 (E_RNA)
where:
Base-Base interactions energy: -424.995
where: short stacking energy: -215.841
Base-Backbone interact. energy: 3.822
local terms energy: -313.001984
where:
bonds (distance) C4'-P energy: -68.798
bonds (distance) P-C4' energy: -59.278
flat angles C4'-P-C4' energy: -68.499
flat angles P-C4'-P energy: -50.585
tors. eta vs tors. theta energy: -65.843
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: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -685.037591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.037591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.037591 (E_RNA)
where:
Base-Base interactions energy: -403.772
where: short stacking energy: -178.381
Base-Backbone interact. energy: -1.913
local terms energy: -279.352294
where:
bonds (distance) C4'-P energy: -69.357
bonds (distance) P-C4' energy: -64.059
flat angles C4'-P-C4' energy: -57.960
flat angles P-C4'-P energy: -47.806
tors. eta vs tors. theta energy: -40.169
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: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -535.782804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.782804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.782804 (E_RNA)
where:
Base-Base interactions energy: -297.945
where: short stacking energy: -145.418
Base-Backbone interact. energy: 1.175
local terms energy: -239.012342
where:
bonds (distance) C4'-P energy: -61.636
bonds (distance) P-C4' energy: -67.502
flat angles C4'-P-C4' energy: -46.140
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -32.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -488.622341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.622341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.622341 (E_RNA)
where:
Base-Base interactions energy: -259.091
where: short stacking energy: -126.709
Base-Backbone interact. energy: 0.111
local terms energy: -229.642558
where:
bonds (distance) C4'-P energy: -57.850
bonds (distance) P-C4' energy: -56.385
flat angles C4'-P-C4' energy: -50.176
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: -33.761
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: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -298.584745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.584745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.584745 (E_RNA)
where:
Base-Base interactions energy: -125.834
where: short stacking energy: -99.548
Base-Backbone interact. energy: 0.688
local terms energy: -173.439355
where:
bonds (distance) C4'-P energy: -49.610
bonds (distance) P-C4' energy: -55.433
flat angles C4'-P-C4' energy: -53.063
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: 11.195
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: 101
Temperature: 1.300000
Total energy: -288.017118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.017118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.017118 (E_RNA)
where:
Base-Base interactions energy: -86.635
where: short stacking energy: -63.236
Base-Backbone interact. energy: -1.189
local terms energy: -200.192921
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -71.052
flat angles C4'-P-C4' energy: -43.373
flat angles P-C4'-P energy: -34.679
tors. eta vs tors. theta energy: 3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -251.162184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.162184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.162184 (E_RNA)
where:
Base-Base interactions energy: -77.869
where: short stacking energy: -57.172
Base-Backbone interact. energy: 0.795
local terms energy: -174.088515
where:
bonds (distance) C4'-P energy: -57.161
bonds (distance) P-C4' energy: -59.875
flat angles C4'-P-C4' energy: -33.476
flat angles P-C4'-P energy: -42.421
tors. eta vs tors. theta energy: 18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1091.001910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.001910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.001910 (E_RNA)
where:
Base-Base interactions energy: -702.366
where: short stacking energy: -329.625
Base-Backbone interact. energy: -0.065
local terms energy: -388.570861
where:
bonds (distance) C4'-P energy: -64.218
bonds (distance) P-C4' energy: -71.943
flat angles C4'-P-C4' energy: -82.316
flat angles P-C4'-P energy: -59.301
tors. eta vs tors. theta energy: -110.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -994.326123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.326123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.326123 (E_RNA)
where:
Base-Base interactions energy: -676.227
where: short stacking energy: -275.288
Base-Backbone interact. energy: -1.803
local terms energy: -317.035298
where:
bonds (distance) C4'-P energy: -64.263
bonds (distance) P-C4' energy: -67.809
flat angles C4'-P-C4' energy: -71.971
flat angles P-C4'-P energy: -31.257
tors. eta vs tors. theta energy: -81.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.740 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -856.174345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.174345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.174345 (E_RNA)
where:
Base-Base interactions energy: -541.374
where: short stacking energy: -242.906
Base-Backbone interact. energy: -2.521
local terms energy: -312.279589
where:
bonds (distance) C4'-P energy: -67.261
bonds (distance) P-C4' energy: -69.227
flat angles C4'-P-C4' energy: -62.619
flat angles P-C4'-P energy: -48.538
tors. eta vs tors. theta energy: -64.635
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: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -767.858445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.858445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.858445 (E_RNA)
where:
Base-Base interactions energy: -460.582
where: short stacking energy: -242.183
Base-Backbone interact. energy: 0.542
local terms energy: -307.818894
where:
bonds (distance) C4'-P energy: -58.876
bonds (distance) P-C4' energy: -67.293
flat angles C4'-P-C4' energy: -67.367
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -73.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -680.875309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.875309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.875309 (E_RNA)
where:
Base-Base interactions energy: -418.042
where: short stacking energy: -162.501
Base-Backbone interact. energy: -1.764
local terms energy: -261.069610
where:
bonds (distance) C4'-P energy: -61.141
bonds (distance) P-C4' energy: -51.956
flat angles C4'-P-C4' energy: -59.458
flat angles P-C4'-P energy: -49.583
tors. eta vs tors. theta energy: -38.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -550.609527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.609527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.609527 (E_RNA)
where:
Base-Base interactions energy: -306.859
where: short stacking energy: -147.471
Base-Backbone interact. energy: 1.726
local terms energy: -245.475929
where:
bonds (distance) C4'-P energy: -57.087
bonds (distance) P-C4' energy: -72.838
flat angles C4'-P-C4' energy: -51.876
flat angles P-C4'-P energy: -36.797
tors. eta vs tors. theta energy: -26.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -490.072219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.072219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.072219 (E_RNA)
where:
Base-Base interactions energy: -244.335
where: short stacking energy: -135.755
Base-Backbone interact. energy: -0.583
local terms energy: -245.154349
where:
bonds (distance) C4'-P energy: -55.235
bonds (distance) P-C4' energy: -64.586
flat angles C4'-P-C4' energy: -64.959
flat angles P-C4'-P energy: -31.020
tors. eta vs tors. theta energy: -29.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -304.533093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.533093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.533093 (E_RNA)
where:
Base-Base interactions energy: -145.118
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.840
local terms energy: -158.575230
where:
bonds (distance) C4'-P energy: -59.598
bonds (distance) P-C4' energy: -59.180
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: 16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -263.510001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.510001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.510001 (E_RNA)
where:
Base-Base interactions energy: -85.909
where: short stacking energy: -70.432
Base-Backbone interact. energy: 0.262
local terms energy: -177.863065
where:
bonds (distance) C4'-P energy: -56.801
bonds (distance) P-C4' energy: -53.100
flat angles C4'-P-C4' energy: -43.190
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: 3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -261.021500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.021500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.021500 (E_RNA)
where:
Base-Base interactions energy: -91.692
where: short stacking energy: -63.226
Base-Backbone interact. energy: -2.389
local terms energy: -166.940192
where:
bonds (distance) C4'-P energy: -53.722
bonds (distance) P-C4' energy: -61.938
flat angles C4'-P-C4' energy: -39.973
flat angles P-C4'-P energy: -31.336
tors. eta vs tors. theta energy: 20.030
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: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1096.166906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.166906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.166906 (E_RNA)
where:
Base-Base interactions energy: -729.747
where: short stacking energy: -346.843
Base-Backbone interact. energy: 0.156
local terms energy: -366.575466
where:
bonds (distance) C4'-P energy: -58.636
bonds (distance) P-C4' energy: -63.215
flat angles C4'-P-C4' energy: -78.979
flat angles P-C4'-P energy: -54.763
tors. eta vs tors. theta energy: -110.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -984.693718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.693718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.693718 (E_RNA)
where:
Base-Base interactions energy: -665.561
where: short stacking energy: -260.736
Base-Backbone interact. energy: -1.834
local terms energy: -319.804131
where:
bonds (distance) C4'-P energy: -64.447
bonds (distance) P-C4' energy: -64.791
flat angles C4'-P-C4' energy: -71.741
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -77.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.506 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -822.316141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.316141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.316141 (E_RNA)
where:
Base-Base interactions energy: -513.320
where: short stacking energy: -213.734
Base-Backbone interact. energy: -0.951
local terms energy: -308.044688
where:
bonds (distance) C4'-P energy: -71.495
bonds (distance) P-C4' energy: -66.601
flat angles C4'-P-C4' energy: -62.691
flat angles P-C4'-P energy: -51.179
tors. eta vs tors. theta energy: -56.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -737.585116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.585116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.585116 (E_RNA)
where:
Base-Base interactions energy: -447.578
where: short stacking energy: -222.282
Base-Backbone interact. energy: -0.686
local terms energy: -289.320231
where:
bonds (distance) C4'-P energy: -57.559
bonds (distance) P-C4' energy: -61.883
flat angles C4'-P-C4' energy: -60.916
flat angles P-C4'-P energy: -45.408
tors. eta vs tors. theta energy: -63.555
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: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -660.974600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.974600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.974600 (E_RNA)
where:
Base-Base interactions energy: -398.440
where: short stacking energy: -179.570
Base-Backbone interact. energy: -0.252
local terms energy: -262.282512
where:
bonds (distance) C4'-P energy: -65.113
bonds (distance) P-C4' energy: -59.395
flat angles C4'-P-C4' energy: -64.775
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: -36.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -593.644296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.644296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.644296 (E_RNA)
where:
Base-Base interactions energy: -354.123
where: short stacking energy: -145.191
Base-Backbone interact. energy: 0.399
local terms energy: -239.920100
where:
bonds (distance) C4'-P energy: -62.685
bonds (distance) P-C4' energy: -62.696
flat angles C4'-P-C4' energy: -60.178
flat angles P-C4'-P energy: -30.000
tors. eta vs tors. theta energy: -24.361
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: 103
Temperature: 1.200000
Total energy: -497.648994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.648994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.648994 (E_RNA)
where:
Base-Base interactions energy: -270.433
where: short stacking energy: -129.379
Base-Backbone interact. energy: 0.216
local terms energy: -227.432028
where:
bonds (distance) C4'-P energy: -52.878
bonds (distance) P-C4' energy: -61.315
flat angles C4'-P-C4' energy: -51.575
flat angles P-C4'-P energy: -34.417
tors. eta vs tors. theta energy: -27.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -312.286825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.286825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.286825 (E_RNA)
where:
Base-Base interactions energy: -96.501
where: short stacking energy: -78.132
Base-Backbone interact. energy: -1.220
local terms energy: -214.565312
where:
bonds (distance) C4'-P energy: -66.626
bonds (distance) P-C4' energy: -73.263
flat angles C4'-P-C4' energy: -48.131
flat angles P-C4'-P energy: -36.962
tors. eta vs tors. theta energy: 10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -281.774679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.774679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.774679 (E_RNA)
where:
Base-Base interactions energy: -104.888
where: short stacking energy: -91.069
Base-Backbone interact. energy: -0.173
local terms energy: -176.713224
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -53.560
flat angles C4'-P-C4' energy: -46.058
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -247.293297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.293297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.293297 (E_RNA)
where:
Base-Base interactions energy: -78.228
where: short stacking energy: -56.713
Base-Backbone interact. energy: 4.532
local terms energy: -173.597108
where:
bonds (distance) C4'-P energy: -50.490
bonds (distance) P-C4' energy: -57.598
flat angles C4'-P-C4' energy: -45.873
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: 8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1095.589139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.589139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.589139 (E_RNA)
where:
Base-Base interactions energy: -724.037
where: short stacking energy: -319.521
Base-Backbone interact. energy: 1.644
local terms energy: -373.196442
where:
bonds (distance) C4'-P energy: -63.239
bonds (distance) P-C4' energy: -72.472
flat angles C4'-P-C4' energy: -69.531
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: -117.636
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: 104
Temperature: 0.950000
Total energy: -1000.953674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.953674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.953674 (E_RNA)
where:
Base-Base interactions energy: -664.567
where: short stacking energy: -272.800
Base-Backbone interact. energy: -3.128
local terms energy: -333.259226
where:
bonds (distance) C4'-P energy: -60.063
bonds (distance) P-C4' energy: -70.904
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -47.092
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: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -849.965405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.965405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.965405 (E_RNA)
where:
Base-Base interactions energy: -543.482
where: short stacking energy: -236.719
Base-Backbone interact. energy: -0.608
local terms energy: -305.988482
where:
bonds (distance) C4'-P energy: -62.399
bonds (distance) P-C4' energy: -56.117
flat angles C4'-P-C4' energy: -75.357
flat angles P-C4'-P energy: -46.907
tors. eta vs tors. theta energy: -65.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.114 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -774.950488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.950488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.950488 (E_RNA)
where:
Base-Base interactions energy: -498.592
where: short stacking energy: -230.138
Base-Backbone interact. energy: 1.285
local terms energy: -277.644016
where:
bonds (distance) C4'-P energy: -56.039
bonds (distance) P-C4' energy: -49.706
flat angles C4'-P-C4' energy: -59.137
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -63.651
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: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -724.585118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.585118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.585118 (E_RNA)
where:
Base-Base interactions energy: -454.302
where: short stacking energy: -196.608
Base-Backbone interact. energy: -0.334
local terms energy: -270.276175
where:
bonds (distance) C4'-P energy: -61.298
bonds (distance) P-C4' energy: -51.986
flat angles C4'-P-C4' energy: -53.166
flat angles P-C4'-P energy: -50.199
tors. eta vs tors. theta energy: -53.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.327 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -602.312688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.312688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.312688 (E_RNA)
where:
Base-Base interactions energy: -364.882
where: short stacking energy: -159.677
Base-Backbone interact. energy: -3.141
local terms energy: -234.289870
where:
bonds (distance) C4'-P energy: -50.254
bonds (distance) P-C4' energy: -73.840
flat angles C4'-P-C4' energy: -52.049
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: -18.141
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: 104
Temperature: 1.200000
Total energy: -478.082807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.082807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.082807 (E_RNA)
where:
Base-Base interactions energy: -233.044
where: short stacking energy: -99.947
Base-Backbone interact. energy: 0.111
local terms energy: -245.149286
where:
bonds (distance) C4'-P energy: -67.130
bonds (distance) P-C4' energy: -75.108
flat angles C4'-P-C4' energy: -57.325
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -374.907602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.907602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.907602 (E_RNA)
where:
Base-Base interactions energy: -200.682
where: short stacking energy: -85.714
Base-Backbone interact. energy: 1.603
local terms energy: -175.829357
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -42.442
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -267.785332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.785332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.785332 (E_RNA)
where:
Base-Base interactions energy: -103.443
where: short stacking energy: -74.123
Base-Backbone interact. energy: 2.768
local terms energy: -167.109797
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -61.104
flat angles C4'-P-C4' energy: -45.518
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: 13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -253.472197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.472197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.472197 (E_RNA)
where:
Base-Base interactions energy: -74.010
where: short stacking energy: -59.423
Base-Backbone interact. energy: -1.087
local terms energy: -178.375512
where:
bonds (distance) C4'-P energy: -66.314
bonds (distance) P-C4' energy: -63.428
flat angles C4'-P-C4' energy: -37.357
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: 14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1085.305021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.305021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.305021 (E_RNA)
where:
Base-Base interactions energy: -705.133
where: short stacking energy: -326.646
Base-Backbone interact. energy: 0.000
local terms energy: -380.171918
where:
bonds (distance) C4'-P energy: -64.289
bonds (distance) P-C4' energy: -61.266
flat angles C4'-P-C4' energy: -76.371
flat angles P-C4'-P energy: -61.856
tors. eta vs tors. theta energy: -116.390
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: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -988.455498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.455498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.455498 (E_RNA)
where:
Base-Base interactions energy: -661.843
where: short stacking energy: -284.204
Base-Backbone interact. energy: -0.456
local terms energy: -326.156105
where:
bonds (distance) C4'-P energy: -54.474
bonds (distance) P-C4' energy: -69.434
flat angles C4'-P-C4' energy: -72.716
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -85.748
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: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -839.602855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.602855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.602855 (E_RNA)
where:
Base-Base interactions energy: -536.846
where: short stacking energy: -247.201
Base-Backbone interact. energy: -0.717
local terms energy: -302.040370
where:
bonds (distance) C4'-P energy: -69.105
bonds (distance) P-C4' energy: -59.456
flat angles C4'-P-C4' energy: -67.501
flat angles P-C4'-P energy: -36.986
tors. eta vs tors. theta energy: -68.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -771.601193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.601193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.601193 (E_RNA)
where:
Base-Base interactions energy: -516.268
where: short stacking energy: -205.286
Base-Backbone interact. energy: -0.032
local terms energy: -255.301851
where:
bonds (distance) C4'-P energy: -54.900
bonds (distance) P-C4' energy: -55.302
flat angles C4'-P-C4' energy: -65.540
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -49.720
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: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -696.509745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.509745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.509745 (E_RNA)
where:
Base-Base interactions energy: -424.919
where: short stacking energy: -200.760
Base-Backbone interact. energy: -1.137
local terms energy: -270.453844
where:
bonds (distance) C4'-P energy: -53.110
bonds (distance) P-C4' energy: -66.421
flat angles C4'-P-C4' energy: -70.938
flat angles P-C4'-P energy: -41.001
tors. eta vs tors. theta energy: -38.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -601.471430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.471430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.471430 (E_RNA)
where:
Base-Base interactions energy: -373.665
where: short stacking energy: -184.071
Base-Backbone interact. energy: 4.016
local terms energy: -231.821869
where:
bonds (distance) C4'-P energy: -56.340
bonds (distance) P-C4' energy: -51.728
flat angles C4'-P-C4' energy: -47.914
flat angles P-C4'-P energy: -35.215
tors. eta vs tors. theta energy: -40.624
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: 105
Temperature: 1.200000
Total energy: -405.022728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.022728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.022728 (E_RNA)
where:
Base-Base interactions energy: -189.018
where: short stacking energy: -112.133
Base-Backbone interact. energy: 0.413
local terms energy: -216.417359
where:
bonds (distance) C4'-P energy: -55.207
bonds (distance) P-C4' energy: -63.528
flat angles C4'-P-C4' energy: -58.152
flat angles P-C4'-P energy: -21.467
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: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -333.474405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.474405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.474405 (E_RNA)
where:
Base-Base interactions energy: -140.428
where: short stacking energy: -52.388
Base-Backbone interact. energy: -3.084
local terms energy: -189.963167
where:
bonds (distance) C4'-P energy: -51.419
bonds (distance) P-C4' energy: -63.263
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -35.472
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: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -283.324625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.324625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.324625 (E_RNA)
where:
Base-Base interactions energy: -90.636
where: short stacking energy: -75.935
Base-Backbone interact. energy: 0.938
local terms energy: -193.626701
where:
bonds (distance) C4'-P energy: -62.320
bonds (distance) P-C4' energy: -57.425
flat angles C4'-P-C4' energy: -53.115
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: 1.684
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: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -258.456273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.456273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.456273 (E_RNA)
where:
Base-Base interactions energy: -84.992
where: short stacking energy: -54.709
Base-Backbone interact. energy: 3.491
local terms energy: -176.954789
where:
bonds (distance) C4'-P energy: -58.819
bonds (distance) P-C4' energy: -65.770
flat angles C4'-P-C4' energy: -45.241
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: 20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1088.839978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.839978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.839978 (E_RNA)
where:
Base-Base interactions energy: -704.357
where: short stacking energy: -324.297
Base-Backbone interact. energy: -1.220
local terms energy: -383.263488
where:
bonds (distance) C4'-P energy: -66.075
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -74.566
flat angles P-C4'-P energy: -56.381
tors. eta vs tors. theta energy: -117.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -998.674383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.674383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.674383 (E_RNA)
where:
Base-Base interactions energy: -682.696
where: short stacking energy: -252.645
Base-Backbone interact. energy: -1.359
local terms energy: -314.619374
where:
bonds (distance) C4'-P energy: -67.035
bonds (distance) P-C4' energy: -67.617
flat angles C4'-P-C4' energy: -56.953
flat angles P-C4'-P energy: -50.797
tors. eta vs tors. theta energy: -72.217
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: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -832.128466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.128466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.128466 (E_RNA)
where:
Base-Base interactions energy: -531.629
where: short stacking energy: -204.265
Base-Backbone interact. energy: -2.221
local terms energy: -298.279044
where:
bonds (distance) C4'-P energy: -67.315
bonds (distance) P-C4' energy: -65.422
flat angles C4'-P-C4' energy: -59.752
flat angles P-C4'-P energy: -46.891
tors. eta vs tors. theta energy: -58.898
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: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -798.745205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.745205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.745205 (E_RNA)
where:
Base-Base interactions energy: -491.635
where: short stacking energy: -214.112
Base-Backbone interact. energy: -1.548
local terms energy: -305.562268
where:
bonds (distance) C4'-P energy: -65.718
bonds (distance) P-C4' energy: -73.645
flat angles C4'-P-C4' energy: -63.113
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -59.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -696.331113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.331113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.331113 (E_RNA)
where:
Base-Base interactions energy: -413.259
where: short stacking energy: -191.005
Base-Backbone interact. energy: 0.323
local terms energy: -283.394852
where:
bonds (distance) C4'-P energy: -60.466
bonds (distance) P-C4' energy: -74.410
flat angles C4'-P-C4' energy: -61.547
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: -56.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -599.556473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.556473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.556473 (E_RNA)
where:
Base-Base interactions energy: -358.005
where: short stacking energy: -159.284
Base-Backbone interact. energy: -0.212
local terms energy: -241.340105
where:
bonds (distance) C4'-P energy: -50.374
bonds (distance) P-C4' energy: -65.688
flat angles C4'-P-C4' energy: -44.037
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -39.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -336.580984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.580984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.580984 (E_RNA)
where:
Base-Base interactions energy: -133.533
where: short stacking energy: -95.973
Base-Backbone interact. energy: -0.426
local terms energy: -202.621700
where:
bonds (distance) C4'-P energy: -60.348
bonds (distance) P-C4' energy: -67.199
flat angles C4'-P-C4' energy: -49.423
flat angles P-C4'-P energy: -31.265
tors. eta vs tors. theta energy: 5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -393.626513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.626513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.626513 (E_RNA)
where:
Base-Base interactions energy: -184.892
where: short stacking energy: -115.457
Base-Backbone interact. energy: 0.434
local terms energy: -209.168077
where:
bonds (distance) C4'-P energy: -42.621
bonds (distance) P-C4' energy: -64.713
flat angles C4'-P-C4' energy: -61.800
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -317.106542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.106542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.106542 (E_RNA)
where:
Base-Base interactions energy: -103.047
where: short stacking energy: -74.289
Base-Backbone interact. energy: -2.107
local terms energy: -211.951651
where:
bonds (distance) C4'-P energy: -69.256
bonds (distance) P-C4' energy: -59.256
flat angles C4'-P-C4' energy: -49.526
flat angles P-C4'-P energy: -34.679
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -254.631580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.631580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.631580 (E_RNA)
where:
Base-Base interactions energy: -85.009
where: short stacking energy: -62.931
Base-Backbone interact. energy: 0.411
local terms energy: -171.176950
where:
bonds (distance) C4'-P energy: -50.271
bonds (distance) P-C4' energy: -58.235
flat angles C4'-P-C4' energy: -48.816
flat angles P-C4'-P energy: -37.319
tors. eta vs tors. theta energy: 23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.143 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1077.851182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.851182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.851182 (E_RNA)
where:
Base-Base interactions energy: -716.745
where: short stacking energy: -313.757
Base-Backbone interact. energy: -0.084
local terms energy: -362.379458
where:
bonds (distance) C4'-P energy: -74.208
bonds (distance) P-C4' energy: -66.433
flat angles C4'-P-C4' energy: -65.906
flat angles P-C4'-P energy: -49.738
tors. eta vs tors. theta energy: -106.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.358 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -986.138872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.138872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.138872 (E_RNA)
where:
Base-Base interactions energy: -666.077
where: short stacking energy: -264.431
Base-Backbone interact. energy: -0.656
local terms energy: -319.405476
where:
bonds (distance) C4'-P energy: -69.878
bonds (distance) P-C4' energy: -59.977
flat angles C4'-P-C4' energy: -67.264
flat angles P-C4'-P energy: -52.581
tors. eta vs tors. theta energy: -69.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -862.583443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.583443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.583443 (E_RNA)
where:
Base-Base interactions energy: -566.566
where: short stacking energy: -221.853
Base-Backbone interact. energy: -0.583
local terms energy: -295.434230
where:
bonds (distance) C4'-P energy: -66.762
bonds (distance) P-C4' energy: -59.901
flat angles C4'-P-C4' energy: -64.548
flat angles P-C4'-P energy: -40.683
tors. eta vs tors. theta energy: -63.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -824.914026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.914026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.914026 (E_RNA)
where:
Base-Base interactions energy: -541.638
where: short stacking energy: -205.838
Base-Backbone interact. energy: -0.115
local terms energy: -283.160707
where:
bonds (distance) C4'-P energy: -57.436
bonds (distance) P-C4' energy: -67.003
flat angles C4'-P-C4' energy: -63.699
flat angles P-C4'-P energy: -39.378
tors. eta vs tors. theta energy: -55.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -713.648339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.648339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.648339 (E_RNA)
where:
Base-Base interactions energy: -449.331
where: short stacking energy: -195.840
Base-Backbone interact. energy: -1.684
local terms energy: -262.632942
where:
bonds (distance) C4'-P energy: -63.595
bonds (distance) P-C4' energy: -70.844
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -30.854
tors. eta vs tors. theta energy: -44.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -614.296601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.296601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.296601 (E_RNA)
where:
Base-Base interactions energy: -353.901
where: short stacking energy: -167.368
Base-Backbone interact. energy: 0.595
local terms energy: -260.990575
where:
bonds (distance) C4'-P energy: -62.694
bonds (distance) P-C4' energy: -70.082
flat angles C4'-P-C4' energy: -54.529
flat angles P-C4'-P energy: -30.870
tors. eta vs tors. theta energy: -42.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -378.028346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.028346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.028346 (E_RNA)
where:
Base-Base interactions energy: -162.981
where: short stacking energy: -97.593
Base-Backbone interact. energy: -1.049
local terms energy: -213.998442
where:
bonds (distance) C4'-P energy: -63.946
bonds (distance) P-C4' energy: -59.157
flat angles C4'-P-C4' energy: -52.966
flat angles P-C4'-P energy: -34.324
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -378.967566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.967566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.967566 (E_RNA)
where:
Base-Base interactions energy: -165.869
where: short stacking energy: -105.828
Base-Backbone interact. energy: -1.295
local terms energy: -211.803151
where:
bonds (distance) C4'-P energy: -68.551
bonds (distance) P-C4' energy: -54.025
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -266.934593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.934593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.934593 (E_RNA)
where:
Base-Base interactions energy: -81.111
where: short stacking energy: -59.807
Base-Backbone interact. energy: 1.662
local terms energy: -187.485939
where:
bonds (distance) C4'-P energy: -50.737
bonds (distance) P-C4' energy: -68.390
flat angles C4'-P-C4' energy: -54.939
flat angles P-C4'-P energy: -31.058
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: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -273.281664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.281664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.281664 (E_RNA)
where:
Base-Base interactions energy: -87.954
where: short stacking energy: -68.003
Base-Backbone interact. energy: 0.937
local terms energy: -186.453016
where:
bonds (distance) C4'-P energy: -52.818
bonds (distance) P-C4' energy: -58.704
flat angles C4'-P-C4' energy: -42.600
flat angles P-C4'-P energy: -40.794
tors. eta vs tors. theta energy: 8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.189 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1074.205218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.205218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.205218 (E_RNA)
where:
Base-Base interactions energy: -722.890
where: short stacking energy: -321.281
Base-Backbone interact. energy: -0.072
local terms energy: -351.242906
where:
bonds (distance) C4'-P energy: -66.750
bonds (distance) P-C4' energy: -59.394
flat angles C4'-P-C4' energy: -68.843
flat angles P-C4'-P energy: -48.666
tors. eta vs tors. theta energy: -107.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -980.131867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.131867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.131867 (E_RNA)
where:
Base-Base interactions energy: -656.420
where: short stacking energy: -268.751
Base-Backbone interact. energy: 0.179
local terms energy: -323.890867
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -69.546
flat angles C4'-P-C4' energy: -69.037
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -75.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -900.015576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.015576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.015576 (E_RNA)
where:
Base-Base interactions energy: -603.911
where: short stacking energy: -258.648
Base-Backbone interact. energy: -0.793
local terms energy: -295.311137
where:
bonds (distance) C4'-P energy: -47.495
bonds (distance) P-C4' energy: -69.541
flat angles C4'-P-C4' energy: -60.644
flat angles P-C4'-P energy: -41.070
tors. eta vs tors. theta energy: -76.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -855.699575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.699575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.699575 (E_RNA)
where:
Base-Base interactions energy: -557.608
where: short stacking energy: -228.097
Base-Backbone interact. energy: -2.545
local terms energy: -295.547371
where:
bonds (distance) C4'-P energy: -62.408
bonds (distance) P-C4' energy: -69.287
flat angles C4'-P-C4' energy: -63.455
flat angles P-C4'-P energy: -42.126
tors. eta vs tors. theta energy: -58.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -731.441382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.441382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.441382 (E_RNA)
where:
Base-Base interactions energy: -421.150
where: short stacking energy: -207.182
Base-Backbone interact. energy: -0.744
local terms energy: -309.547422
where:
bonds (distance) C4'-P energy: -64.996
bonds (distance) P-C4' energy: -69.046
flat angles C4'-P-C4' energy: -67.518
flat angles P-C4'-P energy: -47.008
tors. eta vs tors. theta energy: -60.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -601.434075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.434075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.434075 (E_RNA)
where:
Base-Base interactions energy: -338.050
where: short stacking energy: -160.951
Base-Backbone interact. energy: -0.768
local terms energy: -262.616552
where:
bonds (distance) C4'-P energy: -59.756
bonds (distance) P-C4' energy: -58.914
flat angles C4'-P-C4' energy: -57.662
flat angles P-C4'-P energy: -48.832
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: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -367.714914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.714914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.714914 (E_RNA)
where:
Base-Base interactions energy: -149.732
where: short stacking energy: -88.462
Base-Backbone interact. energy: -1.243
local terms energy: -216.739717
where:
bonds (distance) C4'-P energy: -68.027
bonds (distance) P-C4' energy: -46.351
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -38.899
tors. eta vs tors. theta energy: -7.947
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: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -389.612573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.612573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.612573 (E_RNA)
where:
Base-Base interactions energy: -175.650
where: short stacking energy: -95.108
Base-Backbone interact. energy: 6.052
local terms energy: -220.014462
where:
bonds (distance) C4'-P energy: -52.439
bonds (distance) P-C4' energy: -53.177
flat angles C4'-P-C4' energy: -68.163
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -9.514
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: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -288.075003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.075003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.075003 (E_RNA)
where:
Base-Base interactions energy: -114.226
where: short stacking energy: -84.146
Base-Backbone interact. energy: -0.853
local terms energy: -172.995146
where:
bonds (distance) C4'-P energy: -42.844
bonds (distance) P-C4' energy: -60.834
flat angles C4'-P-C4' energy: -48.951
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: 2.758
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: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -265.389223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.389223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.389223 (E_RNA)
where:
Base-Base interactions energy: -74.811
where: short stacking energy: -61.932
Base-Backbone interact. energy: -0.914
local terms energy: -189.664073
where:
bonds (distance) C4'-P energy: -55.478
bonds (distance) P-C4' energy: -57.282
flat angles C4'-P-C4' energy: -57.997
flat angles P-C4'-P energy: -26.384
tors. eta vs tors. theta energy: 7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1090.251733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.251733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.251733 (E_RNA)
where:
Base-Base interactions energy: -714.362
where: short stacking energy: -331.557
Base-Backbone interact. energy: -0.447
local terms energy: -377.281486
where:
bonds (distance) C4'-P energy: -70.731
bonds (distance) P-C4' energy: -69.277
flat angles C4'-P-C4' energy: -77.281
flat angles P-C4'-P energy: -54.379
tors. eta vs tors. theta energy: -105.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.839 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -974.687114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.687114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.687114 (E_RNA)
where:
Base-Base interactions energy: -646.737
where: short stacking energy: -269.119
Base-Backbone interact. energy: -3.251
local terms energy: -324.698654
where:
bonds (distance) C4'-P energy: -61.303
bonds (distance) P-C4' energy: -69.028
flat angles C4'-P-C4' energy: -74.574
flat angles P-C4'-P energy: -50.369
tors. eta vs tors. theta energy: -69.425
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: 109
Temperature: 1.000000
Total energy: -897.213872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.213872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.213872 (E_RNA)
where:
Base-Base interactions energy: -596.650
where: short stacking energy: -246.472
Base-Backbone interact. energy: -1.042
local terms energy: -299.522259
where:
bonds (distance) C4'-P energy: -59.889
bonds (distance) P-C4' energy: -53.904
flat angles C4'-P-C4' energy: -63.291
flat angles P-C4'-P energy: -46.498
tors. eta vs tors. theta energy: -75.941
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: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -827.215312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.215312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.215312 (E_RNA)
where:
Base-Base interactions energy: -541.695
where: short stacking energy: -219.330
Base-Backbone interact. energy: -1.118
local terms energy: -284.402731
where:
bonds (distance) C4'-P energy: -56.741
bonds (distance) P-C4' energy: -66.301
flat angles C4'-P-C4' energy: -56.001
flat angles P-C4'-P energy: -37.696
tors. eta vs tors. theta energy: -67.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -731.835665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.835665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.835665 (E_RNA)
where:
Base-Base interactions energy: -460.616
where: short stacking energy: -222.505
Base-Backbone interact. energy: -1.447
local terms energy: -269.772993
where:
bonds (distance) C4'-P energy: -44.041
bonds (distance) P-C4' energy: -58.890
flat angles C4'-P-C4' energy: -67.262
flat angles P-C4'-P energy: -37.601
tors. eta vs tors. theta energy: -61.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -544.641949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.641949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.641949 (E_RNA)
where:
Base-Base interactions energy: -309.902
where: short stacking energy: -142.219
Base-Backbone interact. energy: -1.828
local terms energy: -232.911576
where:
bonds (distance) C4'-P energy: -51.762
bonds (distance) P-C4' energy: -72.276
flat angles C4'-P-C4' energy: -53.222
flat angles P-C4'-P energy: -39.320
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -369.573337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.573337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.573337 (E_RNA)
where:
Base-Base interactions energy: -159.415
where: short stacking energy: -80.580
Base-Backbone interact. energy: 0.044
local terms energy: -210.202421
where:
bonds (distance) C4'-P energy: -42.248
bonds (distance) P-C4' energy: -65.567
flat angles C4'-P-C4' energy: -47.803
flat angles P-C4'-P energy: -43.392
tors. eta vs tors. theta energy: -11.193
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: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -348.604736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.604736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.604736 (E_RNA)
where:
Base-Base interactions energy: -149.057
where: short stacking energy: -79.800
Base-Backbone interact. energy: -0.919
local terms energy: -198.628744
where:
bonds (distance) C4'-P energy: -53.695
bonds (distance) P-C4' energy: -61.152
flat angles C4'-P-C4' energy: -52.782
flat angles P-C4'-P energy: -35.306
tors. eta vs tors. theta energy: 4.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -310.087491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.087491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.087491 (E_RNA)
where:
Base-Base interactions energy: -132.920
where: short stacking energy: -78.493
Base-Backbone interact. energy: -1.199
local terms energy: -175.969050
where:
bonds (distance) C4'-P energy: -49.198
bonds (distance) P-C4' energy: -69.581
flat angles C4'-P-C4' energy: -49.795
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: 5.936
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: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -252.053959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.053959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.053959 (E_RNA)
where:
Base-Base interactions energy: -82.154
where: short stacking energy: -53.106
Base-Backbone interact. energy: -1.395
local terms energy: -168.505123
where:
bonds (distance) C4'-P energy: -55.011
bonds (distance) P-C4' energy: -59.417
flat angles C4'-P-C4' energy: -46.333
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: 20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1066.121322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.121322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.121322 (E_RNA)
where:
Base-Base interactions energy: -690.930
where: short stacking energy: -299.870
Base-Backbone interact. energy: -0.471
local terms energy: -374.720175
where:
bonds (distance) C4'-P energy: -72.253
bonds (distance) P-C4' energy: -70.087
flat angles C4'-P-C4' energy: -74.712
flat angles P-C4'-P energy: -48.295
tors. eta vs tors. theta energy: -109.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -993.885511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.885511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.885511 (E_RNA)
where:
Base-Base interactions energy: -655.319
where: short stacking energy: -266.929
Base-Backbone interact. energy: -0.238
local terms energy: -338.328194
where:
bonds (distance) C4'-P energy: -70.809
bonds (distance) P-C4' energy: -69.573
flat angles C4'-P-C4' energy: -69.078
flat angles P-C4'-P energy: -46.872
tors. eta vs tors. theta energy: -81.997
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: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -924.318405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.318405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.318405 (E_RNA)
where:
Base-Base interactions energy: -628.039
where: short stacking energy: -240.504
Base-Backbone interact. energy: -0.941
local terms energy: -295.339302
where:
bonds (distance) C4'-P energy: -64.866
bonds (distance) P-C4' energy: -56.424
flat angles C4'-P-C4' energy: -66.083
flat angles P-C4'-P energy: -41.922
tors. eta vs tors. theta energy: -66.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -869.362188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.362188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.362188 (E_RNA)
where:
Base-Base interactions energy: -561.209
where: short stacking energy: -236.791
Base-Backbone interact. energy: -1.361
local terms energy: -307.725261
where:
bonds (distance) C4'-P energy: -66.212
bonds (distance) P-C4' energy: -61.780
flat angles C4'-P-C4' energy: -63.693
flat angles P-C4'-P energy: -48.637
tors. eta vs tors. theta energy: -67.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.932 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -738.104165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.104165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.104165 (E_RNA)
where:
Base-Base interactions energy: -450.268
where: short stacking energy: -217.132
Base-Backbone interact. energy: -1.301
local terms energy: -286.535545
where:
bonds (distance) C4'-P energy: -53.297
bonds (distance) P-C4' energy: -59.297
flat angles C4'-P-C4' energy: -71.285
flat angles P-C4'-P energy: -43.122
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: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -535.178882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.178882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.178882 (E_RNA)
where:
Base-Base interactions energy: -290.605
where: short stacking energy: -151.398
Base-Backbone interact. energy: -0.537
local terms energy: -244.037140
where:
bonds (distance) C4'-P energy: -62.941
bonds (distance) P-C4' energy: -73.561
flat angles C4'-P-C4' energy: -59.480
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -27.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -329.460774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.460774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.460774 (E_RNA)
where:
Base-Base interactions energy: -109.646
where: short stacking energy: -97.040
Base-Backbone interact. energy: 2.815
local terms energy: -222.629908
where:
bonds (distance) C4'-P energy: -65.738
bonds (distance) P-C4' energy: -56.654
flat angles C4'-P-C4' energy: -59.624
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -307.472569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.472569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.472569 (E_RNA)
where:
Base-Base interactions energy: -118.273
where: short stacking energy: -78.315
Base-Backbone interact. energy: -1.127
local terms energy: -188.072240
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -69.683
flat angles C4'-P-C4' energy: -45.693
flat angles P-C4'-P energy: -29.198
tors. eta vs tors. theta energy: 6.306
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: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -280.790195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.790195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.790195 (E_RNA)
where:
Base-Base interactions energy: -92.273
where: short stacking energy: -64.899
Base-Backbone interact. energy: 1.757
local terms energy: -190.274504
where:
bonds (distance) C4'-P energy: -63.815
bonds (distance) P-C4' energy: -69.064
flat angles C4'-P-C4' energy: -45.593
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: 12.266
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: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -288.106578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.106578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.106578 (E_RNA)
where:
Base-Base interactions energy: -122.621
where: short stacking energy: -74.180
Base-Backbone interact. energy: -0.112
local terms energy: -165.372912
where:
bonds (distance) C4'-P energy: -51.442
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -45.368
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1087.027731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.027731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.027731 (E_RNA)
where:
Base-Base interactions energy: -754.150
where: short stacking energy: -359.104
Base-Backbone interact. energy: -0.127
local terms energy: -332.749934
where:
bonds (distance) C4'-P energy: -48.246
bonds (distance) P-C4' energy: -54.457
flat angles C4'-P-C4' energy: -75.663
flat angles P-C4'-P energy: -39.772
tors. eta vs tors. theta energy: -114.613
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: 111
Temperature: 0.950000
Total energy: -1013.854077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.854077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.854077 (E_RNA)
where:
Base-Base interactions energy: -678.967
where: short stacking energy: -275.724
Base-Backbone interact. energy: -3.494
local terms energy: -331.392935
where:
bonds (distance) C4'-P energy: -70.817
bonds (distance) P-C4' energy: -57.948
flat angles C4'-P-C4' energy: -77.111
flat angles P-C4'-P energy: -43.761
tors. eta vs tors. theta energy: -81.756
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: 111
Temperature: 1.000000
Total energy: -912.017023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.017023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.017023 (E_RNA)
where:
Base-Base interactions energy: -592.461
where: short stacking energy: -259.215
Base-Backbone interact. energy: -2.523
local terms energy: -317.033249
where:
bonds (distance) C4'-P energy: -65.014
bonds (distance) P-C4' energy: -62.254
flat angles C4'-P-C4' energy: -63.489
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -76.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -883.844124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.844124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.844124 (E_RNA)
where:
Base-Base interactions energy: -575.195
where: short stacking energy: -224.772
Base-Backbone interact. energy: -0.912
local terms energy: -309.236243
where:
bonds (distance) C4'-P energy: -56.961
bonds (distance) P-C4' energy: -65.516
flat angles C4'-P-C4' energy: -59.992
flat angles P-C4'-P energy: -50.879
tors. eta vs tors. theta energy: -75.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.500 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -739.519556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.519556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.519556 (E_RNA)
where:
Base-Base interactions energy: -471.167
where: short stacking energy: -218.735
Base-Backbone interact. energy: -1.924
local terms energy: -266.428108
where:
bonds (distance) C4'-P energy: -58.866
bonds (distance) P-C4' energy: -60.838
flat angles C4'-P-C4' energy: -55.186
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: -49.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -557.789531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.789531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.789531 (E_RNA)
where:
Base-Base interactions energy: -302.571
where: short stacking energy: -166.072
Base-Backbone interact. energy: -1.232
local terms energy: -253.986246
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -66.112
flat angles C4'-P-C4' energy: -59.986
flat angles P-C4'-P energy: -46.343
tors. eta vs tors. theta energy: -34.753
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: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -409.481116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.481116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.481116 (E_RNA)
where:
Base-Base interactions energy: -208.894
where: short stacking energy: -104.950
Base-Backbone interact. energy: 1.578
local terms energy: -202.165322
where:
bonds (distance) C4'-P energy: -46.083
bonds (distance) P-C4' energy: -58.476
flat angles C4'-P-C4' energy: -57.349
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -336.205721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.205721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.205721 (E_RNA)
where:
Base-Base interactions energy: -121.340
where: short stacking energy: -84.153
Base-Backbone interact. energy: 1.355
local terms energy: -216.221577
where:
bonds (distance) C4'-P energy: -64.528
bonds (distance) P-C4' energy: -56.699
flat angles C4'-P-C4' energy: -63.183
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: 1.070
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: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -282.288547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.288547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.288547 (E_RNA)
where:
Base-Base interactions energy: -95.853
where: short stacking energy: -66.124
Base-Backbone interact. energy: -2.062
local terms energy: -184.373682
where:
bonds (distance) C4'-P energy: -54.850
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -45.863
flat angles P-C4'-P energy: -30.841
tors. eta vs tors. theta energy: 9.141
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: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -245.776605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.776605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.776605 (E_RNA)
where:
Base-Base interactions energy: -71.928
where: short stacking energy: -46.653
Base-Backbone interact. energy: 1.289
local terms energy: -175.138273
where:
bonds (distance) C4'-P energy: -56.992
bonds (distance) P-C4' energy: -66.243
flat angles C4'-P-C4' energy: -54.729
flat angles P-C4'-P energy: -31.476
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: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1087.511365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.511365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.511365 (E_RNA)
where:
Base-Base interactions energy: -713.837
where: short stacking energy: -322.915
Base-Backbone interact. energy: -1.235
local terms energy: -372.701081
where:
bonds (distance) C4'-P energy: -64.759
bonds (distance) P-C4' energy: -70.084
flat angles C4'-P-C4' energy: -80.162
flat angles P-C4'-P energy: -56.533
tors. eta vs tors. theta energy: -101.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.262 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1000.128204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.128204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.128204 (E_RNA)
where:
Base-Base interactions energy: -665.541
where: short stacking energy: -254.034
Base-Backbone interact. energy: -1.018
local terms energy: -334.599803
where:
bonds (distance) C4'-P energy: -53.338
bonds (distance) P-C4' energy: -75.700
flat angles C4'-P-C4' energy: -79.530
flat angles P-C4'-P energy: -49.372
tors. eta vs tors. theta energy: -76.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.031 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -939.033352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.033352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.033352 (E_RNA)
where:
Base-Base interactions energy: -628.805
where: short stacking energy: -263.522
Base-Backbone interact. energy: -1.802
local terms energy: -310.504362
where:
bonds (distance) C4'-P energy: -55.444
bonds (distance) P-C4' energy: -51.815
flat angles C4'-P-C4' energy: -73.303
flat angles P-C4'-P energy: -50.734
tors. eta vs tors. theta energy: -79.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.078 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -871.945452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.945452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.945452 (E_RNA)
where:
Base-Base interactions energy: -565.690
where: short stacking energy: -236.250
Base-Backbone interact. energy: -0.306
local terms energy: -305.949629
where:
bonds (distance) C4'-P energy: -71.644
bonds (distance) P-C4' energy: -60.025
flat angles C4'-P-C4' energy: -68.535
flat angles P-C4'-P energy: -43.219
tors. eta vs tors. theta energy: -62.526
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: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -724.686560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.686560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.686560 (E_RNA)
where:
Base-Base interactions energy: -433.839
where: short stacking energy: -205.835
Base-Backbone interact. energy: -2.136
local terms energy: -288.711709
where:
bonds (distance) C4'-P energy: -65.255
bonds (distance) P-C4' energy: -53.549
flat angles C4'-P-C4' energy: -64.468
flat angles P-C4'-P energy: -42.094
tors. eta vs tors. theta energy: -63.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -531.016828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.016828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.016828 (E_RNA)
where:
Base-Base interactions energy: -289.330
where: short stacking energy: -138.496
Base-Backbone interact. energy: -2.347
local terms energy: -239.339577
where:
bonds (distance) C4'-P energy: -63.747
bonds (distance) P-C4' energy: -66.094
flat angles C4'-P-C4' energy: -51.503
flat angles P-C4'-P energy: -40.330
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -347.937065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.937065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.937065 (E_RNA)
where:
Base-Base interactions energy: -122.327
where: short stacking energy: -85.635
Base-Backbone interact. energy: -0.782
local terms energy: -224.828701
where:
bonds (distance) C4'-P energy: -64.645
bonds (distance) P-C4' energy: -70.063
flat angles C4'-P-C4' energy: -48.861
flat angles P-C4'-P energy: -33.278
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -398.704856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.704856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.704856 (E_RNA)
where:
Base-Base interactions energy: -197.930
where: short stacking energy: -107.934
Base-Backbone interact. energy: 1.953
local terms energy: -202.727399
where:
bonds (distance) C4'-P energy: -49.762
bonds (distance) P-C4' energy: -74.561
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -30.680
tors. eta vs tors. theta energy: -10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -304.208780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.208780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.208780 (E_RNA)
where:
Base-Base interactions energy: -132.033
where: short stacking energy: -89.492
Base-Backbone interact. energy: 0.475
local terms energy: -172.650960
where:
bonds (distance) C4'-P energy: -54.634
bonds (distance) P-C4' energy: -51.185
flat angles C4'-P-C4' energy: -49.678
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: 0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -312.397385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.397385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.397385 (E_RNA)
where:
Base-Base interactions energy: -141.571
where: short stacking energy: -81.722
Base-Backbone interact. energy: -1.316
local terms energy: -169.509458
where:
bonds (distance) C4'-P energy: -52.568
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: 2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1069.838472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.838472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.838472 (E_RNA)
where:
Base-Base interactions energy: -708.889
where: short stacking energy: -334.621
Base-Backbone interact. energy: -0.778
local terms energy: -360.171416
where:
bonds (distance) C4'-P energy: -64.239
bonds (distance) P-C4' energy: -63.918
flat angles C4'-P-C4' energy: -73.727
flat angles P-C4'-P energy: -50.811
tors. eta vs tors. theta energy: -107.476
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: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1007.774666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.774666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.774666 (E_RNA)
where:
Base-Base interactions energy: -700.730
where: short stacking energy: -270.559
Base-Backbone interact. energy: -1.587
local terms energy: -305.457744
where:
bonds (distance) C4'-P energy: -54.835
bonds (distance) P-C4' energy: -59.366
flat angles C4'-P-C4' energy: -57.124
flat angles P-C4'-P energy: -53.639
tors. eta vs tors. theta energy: -80.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -894.654488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.654488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.654488 (E_RNA)
where:
Base-Base interactions energy: -604.062
where: short stacking energy: -240.092
Base-Backbone interact. energy: 0.281
local terms energy: -290.879720
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -57.131
flat angles C4'-P-C4' energy: -67.063
flat angles P-C4'-P energy: -47.107
tors. eta vs tors. theta energy: -64.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.006 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -799.438444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.438444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.438444 (E_RNA)
where:
Base-Base interactions energy: -500.906
where: short stacking energy: -205.438
Base-Backbone interact. energy: -0.251
local terms energy: -298.281362
where:
bonds (distance) C4'-P energy: -70.293
bonds (distance) P-C4' energy: -63.234
flat angles C4'-P-C4' energy: -62.974
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: -55.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -740.244527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.244527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.244527 (E_RNA)
where:
Base-Base interactions energy: -456.679
where: short stacking energy: -221.188
Base-Backbone interact. energy: 3.565
local terms energy: -287.130799
where:
bonds (distance) C4'-P energy: -58.657
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -40.227
tors. eta vs tors. theta energy: -67.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -554.340548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.340548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.340548 (E_RNA)
where:
Base-Base interactions energy: -310.538
where: short stacking energy: -163.498
Base-Backbone interact. energy: -0.962
local terms energy: -242.840347
where:
bonds (distance) C4'-P energy: -58.011
bonds (distance) P-C4' energy: -61.258
flat angles C4'-P-C4' energy: -51.202
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -38.347
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: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -328.203999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.203999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.203999 (E_RNA)
where:
Base-Base interactions energy: -119.943
where: short stacking energy: -70.584
Base-Backbone interact. energy: -0.322
local terms energy: -207.938879
where:
bonds (distance) C4'-P energy: -55.870
bonds (distance) P-C4' energy: -57.730
flat angles C4'-P-C4' energy: -54.974
flat angles P-C4'-P energy: -37.423
tors. eta vs tors. theta energy: -1.942
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: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -313.168266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.168266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.168266 (E_RNA)
where:
Base-Base interactions energy: -109.471
where: short stacking energy: -57.417
Base-Backbone interact. energy: -2.537
local terms energy: -201.160584
where:
bonds (distance) C4'-P energy: -59.808
bonds (distance) P-C4' energy: -63.789
flat angles C4'-P-C4' energy: -58.747
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: 12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -299.444221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.444221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.444221 (E_RNA)
where:
Base-Base interactions energy: -131.276
where: short stacking energy: -89.177
Base-Backbone interact. energy: -1.474
local terms energy: -166.694654
where:
bonds (distance) C4'-P energy: -56.749
bonds (distance) P-C4' energy: -48.891
flat angles C4'-P-C4' energy: -52.547
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -363.062661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.062661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.062661 (E_RNA)
where:
Base-Base interactions energy: -174.104
where: short stacking energy: -87.162
Base-Backbone interact. energy: 1.021
local terms energy: -189.978938
where:
bonds (distance) C4'-P energy: -59.360
bonds (distance) P-C4' energy: -58.562
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -31.597
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1086.398267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.398267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.398267 (E_RNA)
where:
Base-Base interactions energy: -704.182
where: short stacking energy: -313.587
Base-Backbone interact. energy: -0.293
local terms energy: -381.923392
where:
bonds (distance) C4'-P energy: -67.775
bonds (distance) P-C4' energy: -79.603
flat angles C4'-P-C4' energy: -80.594
flat angles P-C4'-P energy: -49.509
tors. eta vs tors. theta energy: -104.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -997.375929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.375929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.375929 (E_RNA)
where:
Base-Base interactions energy: -675.011
where: short stacking energy: -291.745
Base-Backbone interact. energy: -2.013
local terms energy: -320.352192
where:
bonds (distance) C4'-P energy: -66.141
bonds (distance) P-C4' energy: -62.737
flat angles C4'-P-C4' energy: -68.641
flat angles P-C4'-P energy: -43.385
tors. eta vs tors. theta energy: -79.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -957.858541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.858541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.858541 (E_RNA)
where:
Base-Base interactions energy: -625.199
where: short stacking energy: -258.277
Base-Backbone interact. energy: -0.799
local terms energy: -331.860238
where:
bonds (distance) C4'-P energy: -69.787
bonds (distance) P-C4' energy: -71.070
flat angles C4'-P-C4' energy: -64.304
flat angles P-C4'-P energy: -44.669
tors. eta vs tors. theta energy: -82.031
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: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -832.917627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.917627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.917627 (E_RNA)
where:
Base-Base interactions energy: -545.734
where: short stacking energy: -200.598
Base-Backbone interact. energy: -1.994
local terms energy: -285.189122
where:
bonds (distance) C4'-P energy: -60.240
bonds (distance) P-C4' energy: -61.320
flat angles C4'-P-C4' energy: -64.673
flat angles P-C4'-P energy: -43.514
tors. eta vs tors. theta energy: -55.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -759.885469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.885469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.885469 (E_RNA)
where:
Base-Base interactions energy: -474.226
where: short stacking energy: -214.071
Base-Backbone interact. energy: -0.076
local terms energy: -285.583234
where:
bonds (distance) C4'-P energy: -56.361
bonds (distance) P-C4' energy: -65.481
flat angles C4'-P-C4' energy: -62.355
flat angles P-C4'-P energy: -37.633
tors. eta vs tors. theta energy: -63.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -575.754224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.754224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.754224 (E_RNA)
where:
Base-Base interactions energy: -322.554
where: short stacking energy: -161.059
Base-Backbone interact. energy: -2.327
local terms energy: -250.873032
where:
bonds (distance) C4'-P energy: -59.065
bonds (distance) P-C4' energy: -61.956
flat angles C4'-P-C4' energy: -54.229
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: -36.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -323.897792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.897792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.897792 (E_RNA)
where:
Base-Base interactions energy: -103.526
where: short stacking energy: -67.316
Base-Backbone interact. energy: -0.694
local terms energy: -219.678154
where:
bonds (distance) C4'-P energy: -58.772
bonds (distance) P-C4' energy: -71.707
flat angles C4'-P-C4' energy: -57.376
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -292.592452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.592452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.592452 (E_RNA)
where:
Base-Base interactions energy: -98.424
where: short stacking energy: -80.213
Base-Backbone interact. energy: 3.568
local terms energy: -197.736498
where:
bonds (distance) C4'-P energy: -62.312
bonds (distance) P-C4' energy: -70.190
flat angles C4'-P-C4' energy: -40.263
flat angles P-C4'-P energy: -31.304
tors. eta vs tors. theta energy: 6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -337.317173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.317173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.317173 (E_RNA)
where:
Base-Base interactions energy: -142.825
where: short stacking energy: -94.148
Base-Backbone interact. energy: -0.871
local terms energy: -193.621229
where:
bonds (distance) C4'-P energy: -58.088
bonds (distance) P-C4' energy: -49.167
flat angles C4'-P-C4' energy: -44.847
flat angles P-C4'-P energy: -37.006
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -277.783222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.783222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.783222 (E_RNA)
where:
Base-Base interactions energy: -119.495
where: short stacking energy: -62.430
Base-Backbone interact. energy: 8.619
local terms energy: -166.907216
where:
bonds (distance) C4'-P energy: -49.250
bonds (distance) P-C4' energy: -59.219
flat angles C4'-P-C4' energy: -57.159
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: 16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1108.431872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.431872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.431872 (E_RNA)
where:
Base-Base interactions energy: -734.343
where: short stacking energy: -326.633
Base-Backbone interact. energy: -0.284
local terms energy: -373.804686
where:
bonds (distance) C4'-P energy: -66.329
bonds (distance) P-C4' energy: -81.225
flat angles C4'-P-C4' energy: -74.467
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: -109.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -992.265571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.265571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.265571 (E_RNA)
where:
Base-Base interactions energy: -663.687
where: short stacking energy: -251.413
Base-Backbone interact. energy: -3.090
local terms energy: -325.489120
where:
bonds (distance) C4'-P energy: -61.330
bonds (distance) P-C4' energy: -70.393
flat angles C4'-P-C4' energy: -73.807
flat angles P-C4'-P energy: -47.191
tors. eta vs tors. theta energy: -72.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -968.421267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.421267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.421267 (E_RNA)
where:
Base-Base interactions energy: -655.201
where: short stacking energy: -252.150
Base-Backbone interact. energy: -2.160
local terms energy: -311.060283
where:
bonds (distance) C4'-P energy: -58.890
bonds (distance) P-C4' energy: -64.707
flat angles C4'-P-C4' energy: -66.303
flat angles P-C4'-P energy: -38.575
tors. eta vs tors. theta energy: -82.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -819.239205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.239205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.239205 (E_RNA)
where:
Base-Base interactions energy: -551.078
where: short stacking energy: -214.846
Base-Backbone interact. energy: -1.453
local terms energy: -266.708668
where:
bonds (distance) C4'-P energy: -60.145
bonds (distance) P-C4' energy: -63.230
flat angles C4'-P-C4' energy: -64.640
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -48.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -784.386565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.386565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.386565 (E_RNA)
where:
Base-Base interactions energy: -494.983
where: short stacking energy: -235.198
Base-Backbone interact. energy: -0.631
local terms energy: -288.773045
where:
bonds (distance) C4'-P energy: -57.163
bonds (distance) P-C4' energy: -56.335
flat angles C4'-P-C4' energy: -60.926
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -72.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -559.480033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.480033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.480033 (E_RNA)
where:
Base-Base interactions energy: -322.571
where: short stacking energy: -155.555
Base-Backbone interact. energy: -0.012
local terms energy: -236.897310
where:
bonds (distance) C4'-P energy: -46.371
bonds (distance) P-C4' energy: -50.365
flat angles C4'-P-C4' energy: -59.028
flat angles P-C4'-P energy: -44.375
tors. eta vs tors. theta energy: -36.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -324.611499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.611499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.611499 (E_RNA)
where:
Base-Base interactions energy: -128.669
where: short stacking energy: -106.700
Base-Backbone interact. energy: -1.097
local terms energy: -194.846091
where:
bonds (distance) C4'-P energy: -48.583
bonds (distance) P-C4' energy: -57.974
flat angles C4'-P-C4' energy: -44.105
flat angles P-C4'-P energy: -39.283
tors. eta vs tors. theta energy: -4.901
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: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -355.509913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.509913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.509913 (E_RNA)
where:
Base-Base interactions energy: -169.209
where: short stacking energy: -83.163
Base-Backbone interact. energy: -3.006
local terms energy: -183.294913
where:
bonds (distance) C4'-P energy: -51.237
bonds (distance) P-C4' energy: -64.968
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -30.686
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: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -288.561737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.561737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.561737 (E_RNA)
where:
Base-Base interactions energy: -89.475
where: short stacking energy: -78.678
Base-Backbone interact. energy: 1.786
local terms energy: -200.872571
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -67.263
flat angles C4'-P-C4' energy: -53.924
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: 10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -252.975360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.975360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.975360 (E_RNA)
where:
Base-Base interactions energy: -98.579
where: short stacking energy: -82.846
Base-Backbone interact. energy: -1.621
local terms energy: -152.775045
where:
bonds (distance) C4'-P energy: -39.703
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -38.751
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: 8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1077.892592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.892592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.892592 (E_RNA)
where:
Base-Base interactions energy: -697.753
where: short stacking energy: -320.059
Base-Backbone interact. energy: -0.418
local terms energy: -379.720649
where:
bonds (distance) C4'-P energy: -67.633
bonds (distance) P-C4' energy: -72.208
flat angles C4'-P-C4' energy: -81.861
flat angles P-C4'-P energy: -55.618
tors. eta vs tors. theta energy: -102.400
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: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1018.838085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.838085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.838085 (E_RNA)
where:
Base-Base interactions energy: -678.612
where: short stacking energy: -275.531
Base-Backbone interact. energy: -0.533
local terms energy: -339.693050
where:
bonds (distance) C4'-P energy: -63.162
bonds (distance) P-C4' energy: -72.092
flat angles C4'-P-C4' energy: -68.172
flat angles P-C4'-P energy: -51.403
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: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -966.220204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.220204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.220204 (E_RNA)
where:
Base-Base interactions energy: -638.040
where: short stacking energy: -270.029
Base-Backbone interact. energy: -0.200
local terms energy: -329.444836
where:
bonds (distance) C4'-P energy: -70.766
bonds (distance) P-C4' energy: -65.265
flat angles C4'-P-C4' energy: -61.298
flat angles P-C4'-P energy: -43.652
tors. eta vs tors. theta energy: -88.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.464 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -830.824257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.824257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.824257 (E_RNA)
where:
Base-Base interactions energy: -524.384
where: short stacking energy: -206.240
Base-Backbone interact. energy: -4.601
local terms energy: -301.838429
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -67.945
flat angles C4'-P-C4' energy: -68.952
flat angles P-C4'-P energy: -34.465
tors. eta vs tors. theta energy: -65.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -815.035114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.035114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.035114 (E_RNA)
where:
Base-Base interactions energy: -511.686
where: short stacking energy: -222.402
Base-Backbone interact. energy: -1.619
local terms energy: -301.730169
where:
bonds (distance) C4'-P energy: -60.881
bonds (distance) P-C4' energy: -61.815
flat angles C4'-P-C4' energy: -61.155
flat angles P-C4'-P energy: -49.810
tors. eta vs tors. theta energy: -68.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -584.652617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.652617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.652617 (E_RNA)
where:
Base-Base interactions energy: -318.833
where: short stacking energy: -170.783
Base-Backbone interact. energy: -0.928
local terms energy: -264.891366
where:
bonds (distance) C4'-P energy: -63.785
bonds (distance) P-C4' energy: -59.217
flat angles C4'-P-C4' energy: -72.228
flat angles P-C4'-P energy: -43.754
tors. eta vs tors. theta energy: -25.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -395.440031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.440031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.440031 (E_RNA)
where:
Base-Base interactions energy: -197.522
where: short stacking energy: -130.517
Base-Backbone interact. energy: 1.381
local terms energy: -199.298894
where:
bonds (distance) C4'-P energy: -56.133
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -51.049
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -299.897815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.897815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.897815 (E_RNA)
where:
Base-Base interactions energy: -95.989
where: short stacking energy: -79.804
Base-Backbone interact. energy: 4.938
local terms energy: -208.847117
where:
bonds (distance) C4'-P energy: -61.965
bonds (distance) P-C4' energy: -56.570
flat angles C4'-P-C4' energy: -58.530
flat angles P-C4'-P energy: -35.917
tors. eta vs tors. theta energy: 4.135
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: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -289.061100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.061100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.061100 (E_RNA)
where:
Base-Base interactions energy: -81.541
where: short stacking energy: -74.191
Base-Backbone interact. energy: 1.939
local terms energy: -209.459477
where:
bonds (distance) C4'-P energy: -59.275
bonds (distance) P-C4' energy: -65.169
flat angles C4'-P-C4' energy: -54.461
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: 5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -258.262777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.262777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.262777 (E_RNA)
where:
Base-Base interactions energy: -72.391
where: short stacking energy: -56.543
Base-Backbone interact. energy: 0.467
local terms energy: -186.338523
where:
bonds (distance) C4'-P energy: -53.042
bonds (distance) P-C4' energy: -53.136
flat angles C4'-P-C4' energy: -52.256
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: 7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1067.074916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.074916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.074916 (E_RNA)
where:
Base-Base interactions energy: -712.389
where: short stacking energy: -310.370
Base-Backbone interact. energy: -1.367
local terms energy: -353.319313
where:
bonds (distance) C4'-P energy: -59.745
bonds (distance) P-C4' energy: -62.447
flat angles C4'-P-C4' energy: -75.395
flat angles P-C4'-P energy: -51.516
tors. eta vs tors. theta energy: -104.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -998.459296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.459296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.459296 (E_RNA)
where:
Base-Base interactions energy: -671.069
where: short stacking energy: -280.247
Base-Backbone interact. energy: 0.244
local terms energy: -327.633981
where:
bonds (distance) C4'-P energy: -63.534
bonds (distance) P-C4' energy: -67.065
flat angles C4'-P-C4' energy: -71.401
flat angles P-C4'-P energy: -38.956
tors. eta vs tors. theta energy: -86.677
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: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -945.030000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.030000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.030000 (E_RNA)
where:
Base-Base interactions energy: -623.766
where: short stacking energy: -252.144
Base-Backbone interact. energy: 1.392
local terms energy: -322.655669
where:
bonds (distance) C4'-P energy: -60.618
bonds (distance) P-C4' energy: -66.205
flat angles C4'-P-C4' energy: -72.846
flat angles P-C4'-P energy: -45.046
tors. eta vs tors. theta energy: -77.941
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: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -858.197213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.197213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.197213 (E_RNA)
where:
Base-Base interactions energy: -574.293
where: short stacking energy: -218.399
Base-Backbone interact. energy: -1.792
local terms energy: -282.112000
where:
bonds (distance) C4'-P energy: -56.400
bonds (distance) P-C4' energy: -67.124
flat angles C4'-P-C4' energy: -56.348
flat angles P-C4'-P energy: -42.866
tors. eta vs tors. theta energy: -59.374
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: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -819.712143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.712143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.712143 (E_RNA)
where:
Base-Base interactions energy: -522.227
where: short stacking energy: -242.975
Base-Backbone interact. energy: -1.909
local terms energy: -295.575926
where:
bonds (distance) C4'-P energy: -65.857
bonds (distance) P-C4' energy: -60.414
flat angles C4'-P-C4' energy: -49.095
flat angles P-C4'-P energy: -44.282
tors. eta vs tors. theta energy: -75.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -591.940100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.940100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.940100 (E_RNA)
where:
Base-Base interactions energy: -364.923
where: short stacking energy: -181.245
Base-Backbone interact. energy: -4.490
local terms energy: -222.526473
where:
bonds (distance) C4'-P energy: -45.217
bonds (distance) P-C4' energy: -59.388
flat angles C4'-P-C4' energy: -56.500
flat angles P-C4'-P energy: -32.214
tors. eta vs tors. theta energy: -29.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -382.443906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.443906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.443906 (E_RNA)
where:
Base-Base interactions energy: -165.049
where: short stacking energy: -104.343
Base-Backbone interact. energy: -0.570
local terms energy: -216.824940
where:
bonds (distance) C4'-P energy: -55.375
bonds (distance) P-C4' energy: -58.573
flat angles C4'-P-C4' energy: -54.288
flat angles P-C4'-P energy: -34.297
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: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -321.079612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.079612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.079612 (E_RNA)
where:
Base-Base interactions energy: -111.986
where: short stacking energy: -74.482
Base-Backbone interact. energy: 1.048
local terms energy: -210.141759
where:
bonds (distance) C4'-P energy: -53.995
bonds (distance) P-C4' energy: -65.065
flat angles C4'-P-C4' energy: -62.448
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: 4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -272.698588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.698588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.698588 (E_RNA)
where:
Base-Base interactions energy: -98.966
where: short stacking energy: -74.743
Base-Backbone interact. energy: 2.870
local terms energy: -176.602406
where:
bonds (distance) C4'-P energy: -46.553
bonds (distance) P-C4' energy: -54.014
flat angles C4'-P-C4' energy: -51.285
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: 3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -230.593776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.593776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.593776 (E_RNA)
where:
Base-Base interactions energy: -51.160
where: short stacking energy: -41.423
Base-Backbone interact. energy: -0.306
local terms energy: -179.127406
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -69.516
flat angles C4'-P-C4' energy: -40.277
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: 9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1068.958863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.958863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.958863 (E_RNA)
where:
Base-Base interactions energy: -709.600
where: short stacking energy: -303.924
Base-Backbone interact. energy: -0.590
local terms energy: -358.769430
where:
bonds (distance) C4'-P energy: -62.766
bonds (distance) P-C4' energy: -73.314
flat angles C4'-P-C4' energy: -71.946
flat angles P-C4'-P energy: -47.209
tors. eta vs tors. theta energy: -103.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1001.956824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.956824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.956824 (E_RNA)
where:
Base-Base interactions energy: -682.523
where: short stacking energy: -265.864
Base-Backbone interact. energy: -2.244
local terms energy: -317.189515
where:
bonds (distance) C4'-P energy: -60.501
bonds (distance) P-C4' energy: -64.056
flat angles C4'-P-C4' energy: -71.106
flat angles P-C4'-P energy: -37.282
tors. eta vs tors. theta energy: -84.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -905.533042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.533042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.533042 (E_RNA)
where:
Base-Base interactions energy: -602.734
where: short stacking energy: -246.256
Base-Backbone interact. energy: -0.346
local terms energy: -302.452135
where:
bonds (distance) C4'-P energy: -68.019
bonds (distance) P-C4' energy: -60.667
flat angles C4'-P-C4' energy: -60.964
flat angles P-C4'-P energy: -41.943
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: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -936.473332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.473332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.473332 (E_RNA)
where:
Base-Base interactions energy: -616.901
where: short stacking energy: -252.397
Base-Backbone interact. energy: 0.258
local terms energy: -320.023528
where:
bonds (distance) C4'-P energy: -74.573
bonds (distance) P-C4' energy: -61.127
flat angles C4'-P-C4' energy: -64.867
flat angles P-C4'-P energy: -37.133
tors. eta vs tors. theta energy: -82.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.193 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -845.964205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.964205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.964205 (E_RNA)
where:
Base-Base interactions energy: -528.071
where: short stacking energy: -248.639
Base-Backbone interact. energy: -0.309
local terms energy: -317.584578
where:
bonds (distance) C4'-P energy: -65.818
bonds (distance) P-C4' energy: -65.478
flat angles C4'-P-C4' energy: -69.829
flat angles P-C4'-P energy: -46.040
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: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -619.261466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.261466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.261466 (E_RNA)
where:
Base-Base interactions energy: -344.977
where: short stacking energy: -187.216
Base-Backbone interact. energy: 1.512
local terms energy: -275.795873
where:
bonds (distance) C4'-P energy: -68.971
bonds (distance) P-C4' energy: -50.183
flat angles C4'-P-C4' energy: -67.968
flat angles P-C4'-P energy: -50.973
tors. eta vs tors. theta energy: -37.701
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: 118
Temperature: 1.200000
Total energy: -448.769168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.769168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.769168 (E_RNA)
where:
Base-Base interactions energy: -251.566
where: short stacking energy: -93.467
Base-Backbone interact. energy: 2.721
local terms energy: -199.924231
where:
bonds (distance) C4'-P energy: -56.349
bonds (distance) P-C4' energy: -67.801
flat angles C4'-P-C4' energy: -47.123
flat angles P-C4'-P energy: -33.234
tors. eta vs tors. theta energy: 4.582
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: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -378.287928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.287928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.287928 (E_RNA)
where:
Base-Base interactions energy: -176.539
where: short stacking energy: -99.906
Base-Backbone interact. energy: 2.125
local terms energy: -203.873169
where:
bonds (distance) C4'-P energy: -63.458
bonds (distance) P-C4' energy: -65.188
flat angles C4'-P-C4' energy: -51.692
flat angles P-C4'-P energy: -30.833
tors. eta vs tors. theta energy: 7.298
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: 118
Temperature: 1.300000
Total energy: -306.142637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.142637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.142637 (E_RNA)
where:
Base-Base interactions energy: -116.734
where: short stacking energy: -78.981
Base-Backbone interact. energy: 2.256
local terms energy: -191.664567
where:
bonds (distance) C4'-P energy: -71.358
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -40.313
flat angles P-C4'-P energy: -32.747
tors. eta vs tors. theta energy: 5.271
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: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -237.113699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.113699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.113699 (E_RNA)
where:
Base-Base interactions energy: -74.618
where: short stacking energy: -54.823
Base-Backbone interact. energy: -1.812
local terms energy: -160.683462
where:
bonds (distance) C4'-P energy: -60.614
bonds (distance) P-C4' energy: -49.203
flat angles C4'-P-C4' energy: -50.238
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: 17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1060.932267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.932267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.932267 (E_RNA)
where:
Base-Base interactions energy: -693.056
where: short stacking energy: -311.900
Base-Backbone interact. energy: -0.118
local terms energy: -367.758221
where:
bonds (distance) C4'-P energy: -66.957
bonds (distance) P-C4' energy: -70.051
flat angles C4'-P-C4' energy: -78.501
flat angles P-C4'-P energy: -48.706
tors. eta vs tors. theta energy: -103.543
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: 119
Temperature: 0.950000
Total energy: -996.385845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.385845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.385845 (E_RNA)
where:
Base-Base interactions energy: -691.129
where: short stacking energy: -267.736
Base-Backbone interact. energy: 0.563
local terms energy: -305.819231
where:
bonds (distance) C4'-P energy: -62.380
bonds (distance) P-C4' energy: -61.204
flat angles C4'-P-C4' energy: -66.024
flat angles P-C4'-P energy: -38.674
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: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -936.462062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.462062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.462062 (E_RNA)
where:
Base-Base interactions energy: -612.253
where: short stacking energy: -252.668
Base-Backbone interact. energy: -0.377
local terms energy: -323.831251
where:
bonds (distance) C4'-P energy: -61.358
bonds (distance) P-C4' energy: -71.753
flat angles C4'-P-C4' energy: -67.311
flat angles P-C4'-P energy: -44.040
tors. eta vs tors. theta energy: -79.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -917.674672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.674672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.674672 (E_RNA)
where:
Base-Base interactions energy: -621.591
where: short stacking energy: -244.321
Base-Backbone interact. energy: -1.474
local terms energy: -295.184677
where:
bonds (distance) C4'-P energy: -56.040
bonds (distance) P-C4' energy: -55.249
flat angles C4'-P-C4' energy: -68.585
flat angles P-C4'-P energy: -31.721
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: 0.575 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -835.621141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.621141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.621141 (E_RNA)
where:
Base-Base interactions energy: -527.591
where: short stacking energy: -240.966
Base-Backbone interact. energy: -0.578
local terms energy: -307.451523
where:
bonds (distance) C4'-P energy: -60.137
bonds (distance) P-C4' energy: -68.959
flat angles C4'-P-C4' energy: -64.815
flat angles P-C4'-P energy: -42.748
tors. eta vs tors. theta energy: -70.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -590.749447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.749447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.749447 (E_RNA)
where:
Base-Base interactions energy: -339.709
where: short stacking energy: -175.152
Base-Backbone interact. energy: 0.639
local terms energy: -251.678929
where:
bonds (distance) C4'-P energy: -59.838
bonds (distance) P-C4' energy: -60.542
flat angles C4'-P-C4' energy: -49.723
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -46.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -337.202786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.202786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.202786 (E_RNA)
where:
Base-Base interactions energy: -153.455
where: short stacking energy: -95.132
Base-Backbone interact. energy: -2.261
local terms energy: -181.486245
where:
bonds (distance) C4'-P energy: -39.760
bonds (distance) P-C4' energy: -70.629
flat angles C4'-P-C4' energy: -48.602
flat angles P-C4'-P energy: -23.905
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: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -390.581227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.581227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.581227 (E_RNA)
where:
Base-Base interactions energy: -199.170
where: short stacking energy: -104.157
Base-Backbone interact. energy: -1.367
local terms energy: -190.043694
where:
bonds (distance) C4'-P energy: -49.847
bonds (distance) P-C4' energy: -57.228
flat angles C4'-P-C4' energy: -58.344
flat angles P-C4'-P energy: -25.545
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -259.057226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.057226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.057226 (E_RNA)
where:
Base-Base interactions energy: -90.574
where: short stacking energy: -72.241
Base-Backbone interact. energy: -2.252
local terms energy: -166.230848
where:
bonds (distance) C4'-P energy: -49.408
bonds (distance) P-C4' energy: -56.430
flat angles C4'-P-C4' energy: -49.746
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: 11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -302.227080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.227080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.227080 (E_RNA)
where:
Base-Base interactions energy: -115.758
where: short stacking energy: -86.191
Base-Backbone interact. energy: 1.058
local terms energy: -187.526454
where:
bonds (distance) C4'-P energy: -58.924
bonds (distance) P-C4' energy: -63.111
flat angles C4'-P-C4' energy: -47.983
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: 6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1074.776229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.776229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.776229 (E_RNA)
where:
Base-Base interactions energy: -715.323
where: short stacking energy: -309.265
Base-Backbone interact. energy: 0.602
local terms energy: -360.055300
where:
bonds (distance) C4'-P energy: -61.807
bonds (distance) P-C4' energy: -62.317
flat angles C4'-P-C4' energy: -77.356
flat angles P-C4'-P energy: -51.824
tors. eta vs tors. theta energy: -106.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -998.718741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.718741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.718741 (E_RNA)
where:
Base-Base interactions energy: -680.675
where: short stacking energy: -268.371
Base-Backbone interact. energy: -0.552
local terms energy: -317.490989
where:
bonds (distance) C4'-P energy: -70.129
bonds (distance) P-C4' energy: -63.303
flat angles C4'-P-C4' energy: -64.426
flat angles P-C4'-P energy: -42.555
tors. eta vs tors. theta energy: -77.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -956.052544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.052544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.052544 (E_RNA)
where:
Base-Base interactions energy: -647.491
where: short stacking energy: -269.894
Base-Backbone interact. energy: -0.073
local terms energy: -309.219727
where:
bonds (distance) C4'-P energy: -62.685
bonds (distance) P-C4' energy: -60.750
flat angles C4'-P-C4' energy: -69.850
flat angles P-C4'-P energy: -37.353
tors. eta vs tors. theta energy: -78.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.731 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -864.484327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.484327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.484327 (E_RNA)
where:
Base-Base interactions energy: -576.242
where: short stacking energy: -248.937
Base-Backbone interact. energy: -0.687
local terms energy: -287.554934
where:
bonds (distance) C4'-P energy: -59.878
bonds (distance) P-C4' energy: -56.858
flat angles C4'-P-C4' energy: -62.069
flat angles P-C4'-P energy: -41.691
tors. eta vs tors. theta energy: -67.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -808.885613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.885613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.885613 (E_RNA)
where:
Base-Base interactions energy: -521.652
where: short stacking energy: -219.134
Base-Backbone interact. energy: -2.352
local terms energy: -284.881612
where:
bonds (distance) C4'-P energy: -63.261
bonds (distance) P-C4' energy: -56.451
flat angles C4'-P-C4' energy: -64.711
flat angles P-C4'-P energy: -41.118
tors. eta vs tors. theta energy: -59.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -629.375261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.375261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.375261 (E_RNA)
where:
Base-Base interactions energy: -367.250
where: short stacking energy: -172.329
Base-Backbone interact. energy: 3.112
local terms energy: -265.236897
where:
bonds (distance) C4'-P energy: -57.186
bonds (distance) P-C4' energy: -66.282
flat angles C4'-P-C4' energy: -62.284
flat angles P-C4'-P energy: -35.164
tors. eta vs tors. theta energy: -44.321
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: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -462.590453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.590453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.590453 (E_RNA)
where:
Base-Base interactions energy: -250.655
where: short stacking energy: -121.419
Base-Backbone interact. energy: -2.884
local terms energy: -209.050583
where:
bonds (distance) C4'-P energy: -47.650
bonds (distance) P-C4' energy: -64.139
flat angles C4'-P-C4' energy: -60.533
flat angles P-C4'-P energy: -29.586
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -303.015114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.015114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.015114 (E_RNA)
where:
Base-Base interactions energy: -110.858
where: short stacking energy: -88.208
Base-Backbone interact. energy: 0.293
local terms energy: -192.449569
where:
bonds (distance) C4'-P energy: -55.402
bonds (distance) P-C4' energy: -61.941
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -281.733098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.733098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.733098 (E_RNA)
where:
Base-Base interactions energy: -109.080
where: short stacking energy: -77.562
Base-Backbone interact. energy: -1.268
local terms energy: -171.384555
where:
bonds (distance) C4'-P energy: -61.164
bonds (distance) P-C4' energy: -48.803
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -26.543
tors. eta vs tors. theta energy: -3.500
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: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -263.073059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.073059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.073059 (E_RNA)
where:
Base-Base interactions energy: -71.704
where: short stacking energy: -59.219
Base-Backbone interact. energy: -1.446
local terms energy: -189.922845
where:
bonds (distance) C4'-P energy: -65.334
bonds (distance) P-C4' energy: -63.049
flat angles C4'-P-C4' energy: -52.938
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: 10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1081.932365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.932365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.932365 (E_RNA)
where:
Base-Base interactions energy: -712.495
where: short stacking energy: -333.701
Base-Backbone interact. energy: -1.401
local terms energy: -368.035729
where:
bonds (distance) C4'-P energy: -50.980
bonds (distance) P-C4' energy: -72.213
flat angles C4'-P-C4' energy: -76.119
flat angles P-C4'-P energy: -56.382
tors. eta vs tors. theta energy: -112.341
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: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -968.485830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.485830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.485830 (E_RNA)
where:
Base-Base interactions energy: -646.650
where: short stacking energy: -251.259
Base-Backbone interact. energy: -1.310
local terms energy: -320.526381
where:
bonds (distance) C4'-P energy: -60.441
bonds (distance) P-C4' energy: -67.583
flat angles C4'-P-C4' energy: -67.163
flat angles P-C4'-P energy: -51.302
tors. eta vs tors. theta energy: -74.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -965.683405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.683405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.683405 (E_RNA)
where:
Base-Base interactions energy: -645.907
where: short stacking energy: -259.304
Base-Backbone interact. energy: -1.113
local terms energy: -318.663620
where:
bonds (distance) C4'-P energy: -61.182
bonds (distance) P-C4' energy: -61.550
flat angles C4'-P-C4' energy: -70.664
flat angles P-C4'-P energy: -43.320
tors. eta vs tors. theta energy: -81.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -852.303256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.303256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.303256 (E_RNA)
where:
Base-Base interactions energy: -552.741
where: short stacking energy: -248.477
Base-Backbone interact. energy: -2.058
local terms energy: -297.504718
where:
bonds (distance) C4'-P energy: -65.820
bonds (distance) P-C4' energy: -60.313
flat angles C4'-P-C4' energy: -66.385
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -67.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -866.725347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.725347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.725347 (E_RNA)
where:
Base-Base interactions energy: -573.282
where: short stacking energy: -234.792
Base-Backbone interact. energy: 1.135
local terms energy: -294.578575
where:
bonds (distance) C4'-P energy: -59.681
bonds (distance) P-C4' energy: -55.392
flat angles C4'-P-C4' energy: -65.595
flat angles P-C4'-P energy: -47.218
tors. eta vs tors. theta energy: -66.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -606.097362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.097362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.097362 (E_RNA)
where:
Base-Base interactions energy: -334.653
where: short stacking energy: -170.461
Base-Backbone interact. energy: -1.410
local terms energy: -270.034522
where:
bonds (distance) C4'-P energy: -64.702
bonds (distance) P-C4' energy: -59.626
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -36.809
tors. eta vs tors. theta energy: -47.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -449.642953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.642953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.642953 (E_RNA)
where:
Base-Base interactions energy: -227.782
where: short stacking energy: -128.360
Base-Backbone interact. energy: 3.096
local terms energy: -224.957448
where:
bonds (distance) C4'-P energy: -64.521
bonds (distance) P-C4' energy: -50.944
flat angles C4'-P-C4' energy: -61.945
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -326.434002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.434002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.434002 (E_RNA)
where:
Base-Base interactions energy: -111.991
where: short stacking energy: -97.193
Base-Backbone interact. energy: 0.721
local terms energy: -215.163962
where:
bonds (distance) C4'-P energy: -62.681
bonds (distance) P-C4' energy: -64.820
flat angles C4'-P-C4' energy: -53.290
flat angles P-C4'-P energy: -34.524
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -275.351643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.351643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.351643 (E_RNA)
where:
Base-Base interactions energy: -80.689
where: short stacking energy: -71.631
Base-Backbone interact. energy: 7.182
local terms energy: -201.844386
where:
bonds (distance) C4'-P energy: -61.139
bonds (distance) P-C4' energy: -56.527
flat angles C4'-P-C4' energy: -50.793
flat angles P-C4'-P energy: -50.348
tors. eta vs tors. theta energy: 16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -259.312283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.312283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.312283 (E_RNA)
where:
Base-Base interactions energy: -75.846
where: short stacking energy: -48.726
Base-Backbone interact. energy: -2.091
local terms energy: -181.374895
where:
bonds (distance) C4'-P energy: -56.285
bonds (distance) P-C4' energy: -64.881
flat angles C4'-P-C4' energy: -44.298
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: 18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1085.206181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.206181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.206181 (E_RNA)
where:
Base-Base interactions energy: -708.469
where: short stacking energy: -311.414
Base-Backbone interact. energy: 0.878
local terms energy: -377.615428
where:
bonds (distance) C4'-P energy: -70.712
bonds (distance) P-C4' energy: -67.906
flat angles C4'-P-C4' energy: -75.110
flat angles P-C4'-P energy: -51.572
tors. eta vs tors. theta energy: -112.317
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: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -998.831665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.831665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.831665 (E_RNA)
where:
Base-Base interactions energy: -672.188
where: short stacking energy: -277.849
Base-Backbone interact. energy: -0.722
local terms energy: -326.999890
where:
bonds (distance) C4'-P energy: -58.549
bonds (distance) P-C4' energy: -73.631
flat angles C4'-P-C4' energy: -71.575
flat angles P-C4'-P energy: -41.572
tors. eta vs tors. theta energy: -81.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.079 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -951.308499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.308499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.308499 (E_RNA)
where:
Base-Base interactions energy: -651.658
where: short stacking energy: -258.728
Base-Backbone interact. energy: -1.267
local terms energy: -298.383594
where:
bonds (distance) C4'-P energy: -55.128
bonds (distance) P-C4' energy: -58.711
flat angles C4'-P-C4' energy: -66.981
flat angles P-C4'-P energy: -44.178
tors. eta vs tors. theta energy: -73.386
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: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -832.044061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.044061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.044061 (E_RNA)
where:
Base-Base interactions energy: -528.668
where: short stacking energy: -238.174
Base-Backbone interact. energy: -1.776
local terms energy: -301.600091
where:
bonds (distance) C4'-P energy: -67.303
bonds (distance) P-C4' energy: -57.644
flat angles C4'-P-C4' energy: -61.768
flat angles P-C4'-P energy: -53.416
tors. eta vs tors. theta energy: -61.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -860.989808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.989808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.989808 (E_RNA)
where:
Base-Base interactions energy: -550.832
where: short stacking energy: -267.323
Base-Backbone interact. energy: -0.755
local terms energy: -309.403148
where:
bonds (distance) C4'-P energy: -48.140
bonds (distance) P-C4' energy: -63.953
flat angles C4'-P-C4' energy: -74.151
flat angles P-C4'-P energy: -49.172
tors. eta vs tors. theta energy: -73.988
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: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -606.467148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.467148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.467148 (E_RNA)
where:
Base-Base interactions energy: -335.366
where: short stacking energy: -176.888
Base-Backbone interact. energy: -0.819
local terms energy: -270.281744
where:
bonds (distance) C4'-P energy: -68.410
bonds (distance) P-C4' energy: -73.319
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -43.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -483.201908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.201908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.201908 (E_RNA)
where:
Base-Base interactions energy: -287.616
where: short stacking energy: -137.535
Base-Backbone interact. energy: 2.039
local terms energy: -197.624983
where:
bonds (distance) C4'-P energy: -54.931
bonds (distance) P-C4' energy: -55.121
flat angles C4'-P-C4' energy: -40.964
flat angles P-C4'-P energy: -32.832
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -298.237664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.237664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.237664 (E_RNA)
where:
Base-Base interactions energy: -112.052
where: short stacking energy: -74.177
Base-Backbone interact. energy: 6.674
local terms energy: -192.860119
where:
bonds (distance) C4'-P energy: -49.187
bonds (distance) P-C4' energy: -54.716
flat angles C4'-P-C4' energy: -54.902
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: 8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -278.568059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.568059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.568059 (E_RNA)
where:
Base-Base interactions energy: -85.701
where: short stacking energy: -64.228
Base-Backbone interact. energy: 0.370
local terms energy: -193.237049
where:
bonds (distance) C4'-P energy: -57.874
bonds (distance) P-C4' energy: -56.108
flat angles C4'-P-C4' energy: -55.493
flat angles P-C4'-P energy: -34.572
tors. eta vs tors. theta energy: 10.811
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: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -265.097790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.097790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.097790 (E_RNA)
where:
Base-Base interactions energy: -81.375
where: short stacking energy: -73.491
Base-Backbone interact. energy: 0.668
local terms energy: -184.391519
where:
bonds (distance) C4'-P energy: -43.999
bonds (distance) P-C4' energy: -60.130
flat angles C4'-P-C4' energy: -60.176
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: 6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1079.331501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.331501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.331501 (E_RNA)
where:
Base-Base interactions energy: -708.746
where: short stacking energy: -313.425
Base-Backbone interact. energy: -0.321
local terms energy: -370.263852
where:
bonds (distance) C4'-P energy: -60.847
bonds (distance) P-C4' energy: -72.004
flat angles C4'-P-C4' energy: -76.936
flat angles P-C4'-P energy: -47.409
tors. eta vs tors. theta energy: -113.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1016.052903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.052903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.052903 (E_RNA)
where:
Base-Base interactions energy: -685.023
where: short stacking energy: -273.508
Base-Backbone interact. energy: 1.263
local terms energy: -332.553084
where:
bonds (distance) C4'-P energy: -65.731
bonds (distance) P-C4' energy: -71.314
flat angles C4'-P-C4' energy: -69.648
flat angles P-C4'-P energy: -45.471
tors. eta vs tors. theta energy: -80.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.261 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -905.432119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.432119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.432119 (E_RNA)
where:
Base-Base interactions energy: -599.997
where: short stacking energy: -236.125
Base-Backbone interact. energy: -3.911
local terms energy: -301.524625
where:
bonds (distance) C4'-P energy: -62.292
bonds (distance) P-C4' energy: -65.214
flat angles C4'-P-C4' energy: -58.963
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -72.981
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: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -858.984587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.984587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.984587 (E_RNA)
where:
Base-Base interactions energy: -567.528
where: short stacking energy: -249.209
Base-Backbone interact. energy: -0.290
local terms energy: -291.340320
where:
bonds (distance) C4'-P energy: -55.416
bonds (distance) P-C4' energy: -63.740
flat angles C4'-P-C4' energy: -63.332
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -68.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.174 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -795.852055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.852055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.852055 (E_RNA)
where:
Base-Base interactions energy: -513.124
where: short stacking energy: -240.125
Base-Backbone interact. energy: -1.180
local terms energy: -281.548479
where:
bonds (distance) C4'-P energy: -53.727
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -64.451
flat angles P-C4'-P energy: -43.316
tors. eta vs tors. theta energy: -68.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -590.013870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.013870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.013870 (E_RNA)
where:
Base-Base interactions energy: -332.107
where: short stacking energy: -155.998
Base-Backbone interact. energy: 0.581
local terms energy: -258.487600
where:
bonds (distance) C4'-P energy: -56.894
bonds (distance) P-C4' energy: -65.382
flat angles C4'-P-C4' energy: -66.572
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -34.824
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: 123
Temperature: 1.200000
Total energy: -521.611158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.611158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.611158 (E_RNA)
where:
Base-Base interactions energy: -301.317
where: short stacking energy: -151.535
Base-Backbone interact. energy: 1.594
local terms energy: -221.888158
where:
bonds (distance) C4'-P energy: -55.194
bonds (distance) P-C4' energy: -60.795
flat angles C4'-P-C4' energy: -57.311
flat angles P-C4'-P energy: -29.146
tors. eta vs tors. theta energy: -19.442
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: 123
Temperature: 1.250000
Total energy: -327.104896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.104896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.104896 (E_RNA)
where:
Base-Base interactions energy: -136.880
where: short stacking energy: -89.773
Base-Backbone interact. energy: -0.279
local terms energy: -189.946001
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -67.580
flat angles C4'-P-C4' energy: -56.540
flat angles P-C4'-P energy: -26.212
tors. eta vs tors. theta energy: 7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -299.166355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.166355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.166355 (E_RNA)
where:
Base-Base interactions energy: -109.508
where: short stacking energy: -57.512
Base-Backbone interact. energy: 0.817
local terms energy: -190.475479
where:
bonds (distance) C4'-P energy: -50.576
bonds (distance) P-C4' energy: -67.818
flat angles C4'-P-C4' energy: -49.342
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: 15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -269.152830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.152830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.152830 (E_RNA)
where:
Base-Base interactions energy: -84.786
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.917
local terms energy: -183.450058
where:
bonds (distance) C4'-P energy: -46.036
bonds (distance) P-C4' energy: -63.886
flat angles C4'-P-C4' energy: -59.508
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: 12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1086.803811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.803811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.803811 (E_RNA)
where:
Base-Base interactions energy: -719.598
where: short stacking energy: -311.919
Base-Backbone interact. energy: -0.370
local terms energy: -366.836020
where:
bonds (distance) C4'-P energy: -60.791
bonds (distance) P-C4' energy: -70.223
flat angles C4'-P-C4' energy: -75.503
flat angles P-C4'-P energy: -50.751
tors. eta vs tors. theta energy: -109.568
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: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -993.688386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.688386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.688386 (E_RNA)
where:
Base-Base interactions energy: -669.653
where: short stacking energy: -278.641
Base-Backbone interact. energy: -2.251
local terms energy: -321.784146
where:
bonds (distance) C4'-P energy: -56.023
bonds (distance) P-C4' energy: -67.835
flat angles C4'-P-C4' energy: -69.331
flat angles P-C4'-P energy: -46.036
tors. eta vs tors. theta energy: -82.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -926.763023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.763023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.763023 (E_RNA)
where:
Base-Base interactions energy: -608.536
where: short stacking energy: -240.087
Base-Backbone interact. energy: -0.489
local terms energy: -317.738161
where:
bonds (distance) C4'-P energy: -55.947
bonds (distance) P-C4' energy: -72.745
flat angles C4'-P-C4' energy: -68.701
flat angles P-C4'-P energy: -47.399
tors. eta vs tors. theta energy: -72.946
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: 124
Temperature: 1.050000
Total energy: -834.670145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.670145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.670145 (E_RNA)
where:
Base-Base interactions energy: -546.363
where: short stacking energy: -219.576
Base-Backbone interact. energy: -0.614
local terms energy: -287.693868
where:
bonds (distance) C4'-P energy: -55.440
bonds (distance) P-C4' energy: -65.989
flat angles C4'-P-C4' energy: -64.948
flat angles P-C4'-P energy: -32.411
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: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -765.067528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.067528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.067528 (E_RNA)
where:
Base-Base interactions energy: -478.417
where: short stacking energy: -199.657
Base-Backbone interact. energy: 1.083
local terms energy: -287.733398
where:
bonds (distance) C4'-P energy: -61.714
bonds (distance) P-C4' energy: -72.451
flat angles C4'-P-C4' energy: -66.439
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: -48.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -684.790552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.790552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.790552 (E_RNA)
where:
Base-Base interactions energy: -428.896
where: short stacking energy: -181.538
Base-Backbone interact. energy: -1.186
local terms energy: -254.708462
where:
bonds (distance) C4'-P energy: -49.048
bonds (distance) P-C4' energy: -46.967
flat angles C4'-P-C4' energy: -66.457
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -54.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -451.416552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.416552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.416552 (E_RNA)
where:
Base-Base interactions energy: -241.341
where: short stacking energy: -107.478
Base-Backbone interact. energy: -0.468
local terms energy: -209.607231
where:
bonds (distance) C4'-P energy: -60.918
bonds (distance) P-C4' energy: -55.783
flat angles C4'-P-C4' energy: -54.237
flat angles P-C4'-P energy: -31.538
tors. eta vs tors. theta energy: -7.130
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: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -307.508149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.508149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.508149 (E_RNA)
where:
Base-Base interactions energy: -119.472
where: short stacking energy: -55.075
Base-Backbone interact. energy: 1.919
local terms energy: -189.955292
where:
bonds (distance) C4'-P energy: -56.908
bonds (distance) P-C4' energy: -61.800
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -37.081
tors. eta vs tors. theta energy: 25.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -333.683737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.683737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.683737 (E_RNA)
where:
Base-Base interactions energy: -140.978
where: short stacking energy: -79.031
Base-Backbone interact. energy: 3.098
local terms energy: -195.804365
where:
bonds (distance) C4'-P energy: -36.386
bonds (distance) P-C4' energy: -63.785
flat angles C4'-P-C4' energy: -56.692
flat angles P-C4'-P energy: -38.803
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -250.123395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.123395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.123395 (E_RNA)
where:
Base-Base interactions energy: -78.334
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.762
local terms energy: -171.027544
where:
bonds (distance) C4'-P energy: -54.761
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -50.294
flat angles P-C4'-P energy: -26.581
tors. eta vs tors. theta energy: 15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1065.215831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.215831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.215831 (E_RNA)
where:
Base-Base interactions energy: -699.466
where: short stacking energy: -303.485
Base-Backbone interact. energy: -0.329
local terms energy: -365.421446
where:
bonds (distance) C4'-P energy: -65.666
bonds (distance) P-C4' energy: -70.847
flat angles C4'-P-C4' energy: -73.494
flat angles P-C4'-P energy: -56.048
tors. eta vs tors. theta energy: -99.367
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: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1014.047680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.047680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.047680 (E_RNA)
where:
Base-Base interactions energy: -687.610
where: short stacking energy: -268.130
Base-Backbone interact. energy: 2.685
local terms energy: -329.122189
where:
bonds (distance) C4'-P energy: -67.449
bonds (distance) P-C4' energy: -60.777
flat angles C4'-P-C4' energy: -62.917
flat angles P-C4'-P energy: -51.146
tors. eta vs tors. theta energy: -86.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -931.709226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.709226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.709226 (E_RNA)
where:
Base-Base interactions energy: -608.948
where: short stacking energy: -260.179
Base-Backbone interact. energy: -3.443
local terms energy: -319.318301
where:
bonds (distance) C4'-P energy: -63.832
bonds (distance) P-C4' energy: -67.425
flat angles C4'-P-C4' energy: -72.805
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -75.232
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: 125
Temperature: 1.050000
Total energy: -857.882643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.882643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.882643 (E_RNA)
where:
Base-Base interactions energy: -567.154
where: short stacking energy: -236.174
Base-Backbone interact. energy: 3.462
local terms energy: -294.727381
where:
bonds (distance) C4'-P energy: -66.796
bonds (distance) P-C4' energy: -71.604
flat angles C4'-P-C4' energy: -55.646
flat angles P-C4'-P energy: -35.168
tors. eta vs tors. theta energy: -65.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.536 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -775.713412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.713412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.713412 (E_RNA)
where:
Base-Base interactions energy: -474.207
where: short stacking energy: -202.535
Base-Backbone interact. energy: 0.861
local terms energy: -302.367139
where:
bonds (distance) C4'-P energy: -68.437
bonds (distance) P-C4' energy: -62.755
flat angles C4'-P-C4' energy: -70.206
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -58.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -640.728600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.728600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.728600 (E_RNA)
where:
Base-Base interactions energy: -377.976
where: short stacking energy: -178.708
Base-Backbone interact. energy: 0.534
local terms energy: -263.286273
where:
bonds (distance) C4'-P energy: -59.669
bonds (distance) P-C4' energy: -55.012
flat angles C4'-P-C4' energy: -61.070
flat angles P-C4'-P energy: -40.493
tors. eta vs tors. theta energy: -47.042
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: 125
Temperature: 1.200000
Total energy: -397.660311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.660311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.660311 (E_RNA)
where:
Base-Base interactions energy: -201.352
where: short stacking energy: -99.105
Base-Backbone interact. energy: -1.439
local terms energy: -194.869507
where:
bonds (distance) C4'-P energy: -57.017
bonds (distance) P-C4' energy: -48.436
flat angles C4'-P-C4' energy: -63.363
flat angles P-C4'-P energy: -32.764
tors. eta vs tors. theta energy: 6.709
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: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -288.651078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.651078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.651078 (E_RNA)
where:
Base-Base interactions energy: -146.990
where: short stacking energy: -82.630
Base-Backbone interact. energy: -1.088
local terms energy: -140.573288
where:
bonds (distance) C4'-P energy: -48.024
bonds (distance) P-C4' energy: -46.058
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -25.204
tors. eta vs tors. theta energy: 7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -291.389503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.389503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.389503 (E_RNA)
where:
Base-Base interactions energy: -122.446
where: short stacking energy: -73.230
Base-Backbone interact. energy: -0.344
local terms energy: -168.599163
where:
bonds (distance) C4'-P energy: -61.115
bonds (distance) P-C4' energy: -66.270
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: 11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -275.686119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.686119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.686119 (E_RNA)
where:
Base-Base interactions energy: -109.566
where: short stacking energy: -81.229
Base-Backbone interact. energy: -2.681
local terms energy: -163.928251
where:
bonds (distance) C4'-P energy: -49.533
bonds (distance) P-C4' energy: -48.628
flat angles C4'-P-C4' energy: -48.000
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: 4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.490 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1078.478029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.478029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.478029 (E_RNA)
where:
Base-Base interactions energy: -701.725
where: short stacking energy: -338.803
Base-Backbone interact. energy: -0.077
local terms energy: -376.675456
where:
bonds (distance) C4'-P energy: -63.876
bonds (distance) P-C4' energy: -64.966
flat angles C4'-P-C4' energy: -78.984
flat angles P-C4'-P energy: -55.922
tors. eta vs tors. theta energy: -112.927
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -988.346779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.346779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.346779 (E_RNA)
where:
Base-Base interactions energy: -668.357
where: short stacking energy: -267.702
Base-Backbone interact. energy: 1.676
local terms energy: -321.665645
where:
bonds (distance) C4'-P energy: -63.051
bonds (distance) P-C4' energy: -69.879
flat angles C4'-P-C4' energy: -62.123
flat angles P-C4'-P energy: -41.145
tors. eta vs tors. theta energy: -85.467
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: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -919.753302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.753302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.753302 (E_RNA)
where:
Base-Base interactions energy: -605.285
where: short stacking energy: -229.285
Base-Backbone interact. energy: -4.483
local terms energy: -309.985350
where:
bonds (distance) C4'-P energy: -66.433
bonds (distance) P-C4' energy: -63.675
flat angles C4'-P-C4' energy: -74.207
flat angles P-C4'-P energy: -37.076
tors. eta vs tors. theta energy: -68.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -866.053264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.053264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.053264 (E_RNA)
where:
Base-Base interactions energy: -554.658
where: short stacking energy: -241.912
Base-Backbone interact. energy: 0.387
local terms energy: -311.782175
where:
bonds (distance) C4'-P energy: -58.879
bonds (distance) P-C4' energy: -71.537
flat angles C4'-P-C4' energy: -66.960
flat angles P-C4'-P energy: -44.851
tors. eta vs tors. theta energy: -69.555
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: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -775.588013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.588013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.588013 (E_RNA)
where:
Base-Base interactions energy: -501.394
where: short stacking energy: -222.618
Base-Backbone interact. energy: -0.821
local terms energy: -273.372989
where:
bonds (distance) C4'-P energy: -45.264
bonds (distance) P-C4' energy: -58.318
flat angles C4'-P-C4' energy: -68.889
flat angles P-C4'-P energy: -36.344
tors. eta vs tors. theta energy: -64.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -652.065120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.065120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.065120 (E_RNA)
where:
Base-Base interactions energy: -381.114
where: short stacking energy: -168.894
Base-Backbone interact. energy: -0.656
local terms energy: -270.295604
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -62.866
flat angles C4'-P-C4' energy: -68.785
flat angles P-C4'-P energy: -29.417
tors. eta vs tors. theta energy: -49.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -351.218783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.218783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.218783 (E_RNA)
where:
Base-Base interactions energy: -130.356
where: short stacking energy: -84.016
Base-Backbone interact. energy: 0.188
local terms energy: -221.050680
where:
bonds (distance) C4'-P energy: -58.374
bonds (distance) P-C4' energy: -59.737
flat angles C4'-P-C4' energy: -59.523
flat angles P-C4'-P energy: -31.841
tors. eta vs tors. theta energy: -11.575
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: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -360.460526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.460526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.460526 (E_RNA)
where:
Base-Base interactions energy: -172.794
where: short stacking energy: -65.732
Base-Backbone interact. energy: -1.630
local terms energy: -186.036600
where:
bonds (distance) C4'-P energy: -50.728
bonds (distance) P-C4' energy: -60.657
flat angles C4'-P-C4' energy: -52.197
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: 13.123
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: 126
Temperature: 1.300000
Total energy: -277.394441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.394441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.394441 (E_RNA)
where:
Base-Base interactions energy: -72.120
where: short stacking energy: -60.368
Base-Backbone interact. energy: -0.528
local terms energy: -204.745683
where:
bonds (distance) C4'-P energy: -54.813
bonds (distance) P-C4' energy: -63.565
flat angles C4'-P-C4' energy: -55.396
flat angles P-C4'-P energy: -37.588
tors. eta vs tors. theta energy: 6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -266.975057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.975057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.975057 (E_RNA)
where:
Base-Base interactions energy: -111.805
where: short stacking energy: -73.477
Base-Backbone interact. energy: 0.503
local terms energy: -158.155693
where:
bonds (distance) C4'-P energy: -48.078
bonds (distance) P-C4' energy: -52.662
flat angles C4'-P-C4' energy: -45.201
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: 13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.482 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1097.147881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.147881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.147881 (E_RNA)
where:
Base-Base interactions energy: -707.718
where: short stacking energy: -332.577
Base-Backbone interact. energy: -0.238
local terms energy: -389.191980
where:
bonds (distance) C4'-P energy: -72.296
bonds (distance) P-C4' energy: -72.877
flat angles C4'-P-C4' energy: -77.034
flat angles P-C4'-P energy: -53.717
tors. eta vs tors. theta energy: -113.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -983.393328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.393328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.393328 (E_RNA)
where:
Base-Base interactions energy: -671.648
where: short stacking energy: -263.838
Base-Backbone interact. energy: 1.939
local terms energy: -313.684153
where:
bonds (distance) C4'-P energy: -60.827
bonds (distance) P-C4' energy: -62.636
flat angles C4'-P-C4' energy: -62.397
flat angles P-C4'-P energy: -51.867
tors. eta vs tors. theta energy: -75.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -944.601185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.601185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.601185 (E_RNA)
where:
Base-Base interactions energy: -609.143
where: short stacking energy: -246.020
Base-Backbone interact. energy: -1.367
local terms energy: -334.173036
where:
bonds (distance) C4'-P energy: -64.116
bonds (distance) P-C4' energy: -64.444
flat angles C4'-P-C4' energy: -74.005
flat angles P-C4'-P energy: -53.088
tors. eta vs tors. theta energy: -78.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.081 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -843.402131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.402131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.402131 (E_RNA)
where:
Base-Base interactions energy: -556.600
where: short stacking energy: -226.193
Base-Backbone interact. energy: -0.602
local terms energy: -286.200095
where:
bonds (distance) C4'-P energy: -56.989
bonds (distance) P-C4' energy: -61.715
flat angles C4'-P-C4' energy: -64.839
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -57.701
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: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -735.741483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.741483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.741483 (E_RNA)
where:
Base-Base interactions energy: -459.848
where: short stacking energy: -214.774
Base-Backbone interact. energy: -1.148
local terms energy: -274.745110
where:
bonds (distance) C4'-P energy: -57.668
bonds (distance) P-C4' energy: -56.288
flat angles C4'-P-C4' energy: -64.881
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -58.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -641.837910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.837910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.837910 (E_RNA)
where:
Base-Base interactions energy: -369.559
where: short stacking energy: -194.791
Base-Backbone interact. energy: 1.296
local terms energy: -273.574690
where:
bonds (distance) C4'-P energy: -53.887
bonds (distance) P-C4' energy: -64.749
flat angles C4'-P-C4' energy: -62.290
flat angles P-C4'-P energy: -35.707
tors. eta vs tors. theta energy: -56.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -335.358357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.358357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.358357 (E_RNA)
where:
Base-Base interactions energy: -121.728
where: short stacking energy: -79.787
Base-Backbone interact. energy: 0.313
local terms energy: -213.942975
where:
bonds (distance) C4'-P energy: -60.785
bonds (distance) P-C4' energy: -65.254
flat angles C4'-P-C4' energy: -59.926
flat angles P-C4'-P energy: -25.352
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -335.455330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.455330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.455330 (E_RNA)
where:
Base-Base interactions energy: -128.461
where: short stacking energy: -74.069
Base-Backbone interact. energy: -1.067
local terms energy: -205.927780
where:
bonds (distance) C4'-P energy: -66.650
bonds (distance) P-C4' energy: -65.304
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -31.462
tors. eta vs tors. theta energy: 16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -301.228041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.228041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.228041 (E_RNA)
where:
Base-Base interactions energy: -116.980
where: short stacking energy: -86.240
Base-Backbone interact. energy: -0.831
local terms energy: -183.416977
where:
bonds (distance) C4'-P energy: -55.422
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -44.466
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -266.135129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.135129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.135129 (E_RNA)
where:
Base-Base interactions energy: -88.172
where: short stacking energy: -71.196
Base-Backbone interact. energy: -2.458
local terms energy: -175.505298
where:
bonds (distance) C4'-P energy: -50.027
bonds (distance) P-C4' energy: -58.714
flat angles C4'-P-C4' energy: -47.698
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1093.414364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.414364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.414364 (E_RNA)
where:
Base-Base interactions energy: -717.880
where: short stacking energy: -322.786
Base-Backbone interact. energy: 0.732
local terms energy: -376.265911
where:
bonds (distance) C4'-P energy: -71.327
bonds (distance) P-C4' energy: -67.920
flat angles C4'-P-C4' energy: -68.831
flat angles P-C4'-P energy: -61.224
tors. eta vs tors. theta energy: -106.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1015.599283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.599283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.599283 (E_RNA)
where:
Base-Base interactions energy: -680.494
where: short stacking energy: -301.049
Base-Backbone interact. energy: -1.116
local terms energy: -333.989328
where:
bonds (distance) C4'-P energy: -63.611
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -79.647
flat angles P-C4'-P energy: -38.097
tors. eta vs tors. theta energy: -84.299
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: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -941.321427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.321427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.321427 (E_RNA)
where:
Base-Base interactions energy: -614.007
where: short stacking energy: -277.063
Base-Backbone interact. energy: -1.473
local terms energy: -325.841353
where:
bonds (distance) C4'-P energy: -58.255
bonds (distance) P-C4' energy: -62.761
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -49.188
tors. eta vs tors. theta energy: -89.586
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: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -907.692290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.692290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.692290 (E_RNA)
where:
Base-Base interactions energy: -609.879
where: short stacking energy: -232.303
Base-Backbone interact. energy: -2.105
local terms energy: -295.820599
where:
bonds (distance) C4'-P energy: -62.869
bonds (distance) P-C4' energy: -58.074
flat angles C4'-P-C4' energy: -63.134
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -72.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.113 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -733.811907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.811907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.811907 (E_RNA)
where:
Base-Base interactions energy: -459.282
where: short stacking energy: -212.280
Base-Backbone interact. energy: -1.272
local terms energy: -273.258530
where:
bonds (distance) C4'-P energy: -51.932
bonds (distance) P-C4' energy: -61.871
flat angles C4'-P-C4' energy: -54.930
flat angles P-C4'-P energy: -54.110
tors. eta vs tors. theta energy: -50.416
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: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -663.019125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.019125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.019125 (E_RNA)
where:
Base-Base interactions energy: -388.385
where: short stacking energy: -190.629
Base-Backbone interact. energy: -1.834
local terms energy: -272.881395
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -55.836
flat angles C4'-P-C4' energy: -66.986
flat angles P-C4'-P energy: -34.376
tors. eta vs tors. theta energy: -51.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.081 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -390.114382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.114382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.114382 (E_RNA)
where:
Base-Base interactions energy: -182.707
where: short stacking energy: -91.803
Base-Backbone interact. energy: 2.882
local terms energy: -210.289239
where:
bonds (distance) C4'-P energy: -63.039
bonds (distance) P-C4' energy: -71.148
flat angles C4'-P-C4' energy: -50.342
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -5.130
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: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -293.308033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.308033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.308033 (E_RNA)
where:
Base-Base interactions energy: -98.659
where: short stacking energy: -83.265
Base-Backbone interact. energy: -1.398
local terms energy: -193.250134
where:
bonds (distance) C4'-P energy: -59.599
bonds (distance) P-C4' energy: -61.959
flat angles C4'-P-C4' energy: -44.993
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -300.478938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.478938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.478938 (E_RNA)
where:
Base-Base interactions energy: -106.466
where: short stacking energy: -67.642
Base-Backbone interact. energy: 0.148
local terms energy: -194.160936
where:
bonds (distance) C4'-P energy: -52.098
bonds (distance) P-C4' energy: -58.586
flat angles C4'-P-C4' energy: -39.824
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -264.462729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.462729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.462729 (E_RNA)
where:
Base-Base interactions energy: -95.308
where: short stacking energy: -83.929
Base-Backbone interact. energy: 5.667
local terms energy: -174.821654
where:
bonds (distance) C4'-P energy: -49.800
bonds (distance) P-C4' energy: -58.644
flat angles C4'-P-C4' energy: -46.411
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -7.500
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: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1089.250975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.250975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.250975 (E_RNA)
where:
Base-Base interactions energy: -719.374
where: short stacking energy: -315.814
Base-Backbone interact. energy: -0.220
local terms energy: -369.657081
where:
bonds (distance) C4'-P energy: -65.430
bonds (distance) P-C4' energy: -69.229
flat angles C4'-P-C4' energy: -80.436
flat angles P-C4'-P energy: -52.918
tors. eta vs tors. theta energy: -101.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1033.580888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.580888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.580888 (E_RNA)
where:
Base-Base interactions energy: -692.951
where: short stacking energy: -297.711
Base-Backbone interact. energy: -0.979
local terms energy: -339.650347
where:
bonds (distance) C4'-P energy: -60.848
bonds (distance) P-C4' energy: -72.486
flat angles C4'-P-C4' energy: -73.142
flat angles P-C4'-P energy: -39.323
tors. eta vs tors. theta energy: -93.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -947.812666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.812666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.812666 (E_RNA)
where:
Base-Base interactions energy: -610.606
where: short stacking energy: -263.518
Base-Backbone interact. energy: 0.587
local terms energy: -337.792885
where:
bonds (distance) C4'-P energy: -70.526
bonds (distance) P-C4' energy: -62.180
flat angles C4'-P-C4' energy: -74.093
flat angles P-C4'-P energy: -49.347
tors. eta vs tors. theta energy: -81.647
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: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -917.804941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.804941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.804941 (E_RNA)
where:
Base-Base interactions energy: -602.796
where: short stacking energy: -224.081
Base-Backbone interact. energy: -1.413
local terms energy: -313.596516
where:
bonds (distance) C4'-P energy: -68.935
bonds (distance) P-C4' energy: -63.208
flat angles C4'-P-C4' energy: -66.685
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -70.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -718.454257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.454257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.454257 (E_RNA)
where:
Base-Base interactions energy: -437.833
where: short stacking energy: -203.225
Base-Backbone interact. energy: -1.026
local terms energy: -279.595053
where:
bonds (distance) C4'-P energy: -61.224
bonds (distance) P-C4' energy: -56.197
flat angles C4'-P-C4' energy: -70.749
flat angles P-C4'-P energy: -50.114
tors. eta vs tors. theta energy: -41.311
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: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -588.013889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.013889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.013889 (E_RNA)
where:
Base-Base interactions energy: -345.057
where: short stacking energy: -165.961
Base-Backbone interact. energy: -1.347
local terms energy: -241.609482
where:
bonds (distance) C4'-P energy: -59.407
bonds (distance) P-C4' energy: -48.392
flat angles C4'-P-C4' energy: -61.271
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: -36.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -413.127124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.127124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.127124 (E_RNA)
where:
Base-Base interactions energy: -200.516
where: short stacking energy: -127.036
Base-Backbone interact. energy: 7.751
local terms energy: -220.362185
where:
bonds (distance) C4'-P energy: -53.478
bonds (distance) P-C4' energy: -61.273
flat angles C4'-P-C4' energy: -62.285
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -314.537038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.537038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.537038 (E_RNA)
where:
Base-Base interactions energy: -119.577
where: short stacking energy: -104.328
Base-Backbone interact. energy: -1.101
local terms energy: -193.859234
where:
bonds (distance) C4'-P energy: -60.537
bonds (distance) P-C4' energy: -57.879
flat angles C4'-P-C4' energy: -47.117
flat angles P-C4'-P energy: -29.395
tors. eta vs tors. theta energy: 1.070
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: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -294.004390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.004390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.004390 (E_RNA)
where:
Base-Base interactions energy: -114.451
where: short stacking energy: -78.432
Base-Backbone interact. energy: 0.653
local terms energy: -180.206109
where:
bonds (distance) C4'-P energy: -49.673
bonds (distance) P-C4' energy: -57.546
flat angles C4'-P-C4' energy: -47.261
flat angles P-C4'-P energy: -28.538
tors. eta vs tors. theta energy: 2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -266.756789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.756789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.756789 (E_RNA)
where:
Base-Base interactions energy: -74.728
where: short stacking energy: -53.851
Base-Backbone interact. energy: 2.879
local terms energy: -194.907539
where:
bonds (distance) C4'-P energy: -47.453
bonds (distance) P-C4' energy: -67.417
flat angles C4'-P-C4' energy: -59.339
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: 14.740
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: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1096.608706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.608706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.608706 (E_RNA)
where:
Base-Base interactions energy: -731.627
where: short stacking energy: -342.012
Base-Backbone interact. energy: -1.267
local terms energy: -363.714049
where:
bonds (distance) C4'-P energy: -50.530
bonds (distance) P-C4' energy: -62.824
flat angles C4'-P-C4' energy: -78.897
flat angles P-C4'-P energy: -58.233
tors. eta vs tors. theta energy: -113.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1046.034756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.034756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.034756 (E_RNA)
where:
Base-Base interactions energy: -705.153
where: short stacking energy: -308.716
Base-Backbone interact. energy: -1.365
local terms energy: -339.516098
where:
bonds (distance) C4'-P energy: -68.762
bonds (distance) P-C4' energy: -62.389
flat angles C4'-P-C4' energy: -64.843
flat angles P-C4'-P energy: -47.785
tors. eta vs tors. theta energy: -95.737
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: 130
Temperature: 1.000000
Total energy: -942.826796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.826796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.826796 (E_RNA)
where:
Base-Base interactions energy: -632.868
where: short stacking energy: -257.094
Base-Backbone interact. energy: 0.220
local terms energy: -311.198579
where:
bonds (distance) C4'-P energy: -57.322
bonds (distance) P-C4' energy: -60.775
flat angles C4'-P-C4' energy: -76.209
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -79.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.020 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -912.132419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.132419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.132419 (E_RNA)
where:
Base-Base interactions energy: -608.796
where: short stacking energy: -242.575
Base-Backbone interact. energy: -2.391
local terms energy: -300.945731
where:
bonds (distance) C4'-P energy: -62.020
bonds (distance) P-C4' energy: -61.899
flat angles C4'-P-C4' energy: -71.586
flat angles P-C4'-P energy: -38.661
tors. eta vs tors. theta energy: -66.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -731.196514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.196514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.196514 (E_RNA)
where:
Base-Base interactions energy: -434.862
where: short stacking energy: -189.961
Base-Backbone interact. energy: -0.464
local terms energy: -295.871244
where:
bonds (distance) C4'-P energy: -65.047
bonds (distance) P-C4' energy: -64.661
flat angles C4'-P-C4' energy: -69.929
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: -54.767
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: 130
Temperature: 1.150000
Total energy: -597.503445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.503445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.503445 (E_RNA)
where:
Base-Base interactions energy: -360.378
where: short stacking energy: -183.163
Base-Backbone interact. energy: 4.368
local terms energy: -241.493424
where:
bonds (distance) C4'-P energy: -59.900
bonds (distance) P-C4' energy: -57.869
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -22.879
tors. eta vs tors. theta energy: -42.275
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: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -353.809805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.809805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.809805 (E_RNA)
where:
Base-Base interactions energy: -140.516
where: short stacking energy: -72.758
Base-Backbone interact. energy: -1.385
local terms energy: -211.908424
where:
bonds (distance) C4'-P energy: -57.428
bonds (distance) P-C4' energy: -68.848
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: 6.577
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: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -311.215306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.215306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.215306 (E_RNA)
where:
Base-Base interactions energy: -110.481
where: short stacking energy: -76.813
Base-Backbone interact. energy: 0.322
local terms energy: -201.056326
where:
bonds (distance) C4'-P energy: -56.261
bonds (distance) P-C4' energy: -58.620
flat angles C4'-P-C4' energy: -51.269
flat angles P-C4'-P energy: -32.810
tors. eta vs tors. theta energy: -2.095
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: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -272.163028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.163028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.163028 (E_RNA)
where:
Base-Base interactions energy: -87.613
where: short stacking energy: -71.113
Base-Backbone interact. energy: 2.193
local terms energy: -186.742674
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -59.347
flat angles C4'-P-C4' energy: -50.570
flat angles P-C4'-P energy: -28.888
tors. eta vs tors. theta energy: 9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -254.826293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.826293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.826293 (E_RNA)
where:
Base-Base interactions energy: -63.192
where: short stacking energy: -52.836
Base-Backbone interact. energy: -1.113
local terms energy: -190.726521
where:
bonds (distance) C4'-P energy: -59.918
bonds (distance) P-C4' energy: -67.664
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -37.961
tors. eta vs tors. theta energy: 18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.205 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1098.637971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.637971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.637971 (E_RNA)
where:
Base-Base interactions energy: -720.723
where: short stacking energy: -313.325
Base-Backbone interact. energy: -2.058
local terms energy: -375.857148
where:
bonds (distance) C4'-P energy: -64.713
bonds (distance) P-C4' energy: -80.050
flat angles C4'-P-C4' energy: -73.486
flat angles P-C4'-P energy: -51.944
tors. eta vs tors. theta energy: -105.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1015.199849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.199849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.199849 (E_RNA)
where:
Base-Base interactions energy: -673.962
where: short stacking energy: -288.581
Base-Backbone interact. energy: -0.774
local terms energy: -340.464364
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -73.751
flat angles C4'-P-C4' energy: -67.707
flat angles P-C4'-P energy: -45.799
tors. eta vs tors. theta energy: -88.893
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: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -958.414054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.414054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.414054 (E_RNA)
where:
Base-Base interactions energy: -649.650
where: short stacking energy: -267.785
Base-Backbone interact. energy: -0.924
local terms energy: -307.839864
where:
bonds (distance) C4'-P energy: -52.973
bonds (distance) P-C4' energy: -53.004
flat angles C4'-P-C4' energy: -67.657
flat angles P-C4'-P energy: -52.115
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: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -926.430695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.430695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.430695 (E_RNA)
where:
Base-Base interactions energy: -615.335
where: short stacking energy: -248.676
Base-Backbone interact. energy: 2.970
local terms energy: -314.065632
where:
bonds (distance) C4'-P energy: -65.386
bonds (distance) P-C4' energy: -62.568
flat angles C4'-P-C4' energy: -69.786
flat angles P-C4'-P energy: -45.920
tors. eta vs tors. theta energy: -70.406
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: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -731.903233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.903233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.903233 (E_RNA)
where:
Base-Base interactions energy: -447.553
where: short stacking energy: -229.677
Base-Backbone interact. energy: -0.705
local terms energy: -283.644926
where:
bonds (distance) C4'-P energy: -71.165
bonds (distance) P-C4' energy: -51.060
flat angles C4'-P-C4' energy: -68.515
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -62.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -592.265267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.265267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.265267 (E_RNA)
where:
Base-Base interactions energy: -342.900
where: short stacking energy: -182.669
Base-Backbone interact. energy: -0.805
local terms energy: -248.559769
where:
bonds (distance) C4'-P energy: -60.294
bonds (distance) P-C4' energy: -47.148
flat angles C4'-P-C4' energy: -61.770
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -39.270
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: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -327.563505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.563505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.563505 (E_RNA)
where:
Base-Base interactions energy: -108.947
where: short stacking energy: -93.432
Base-Backbone interact. energy: 4.843
local terms energy: -223.459858
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -63.102
flat angles C4'-P-C4' energy: -59.089
flat angles P-C4'-P energy: -44.987
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -351.000390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.000390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.000390 (E_RNA)
where:
Base-Base interactions energy: -166.770
where: short stacking energy: -106.915
Base-Backbone interact. energy: 0.129
local terms energy: -184.359489
where:
bonds (distance) C4'-P energy: -40.435
bonds (distance) P-C4' energy: -63.319
flat angles C4'-P-C4' energy: -53.278
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: 1.111
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: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -281.551830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.551830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.551830 (E_RNA)
where:
Base-Base interactions energy: -78.655
where: short stacking energy: -76.078
Base-Backbone interact. energy: -1.762
local terms energy: -201.134719
where:
bonds (distance) C4'-P energy: -64.187
bonds (distance) P-C4' energy: -62.695
flat angles C4'-P-C4' energy: -53.533
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: 1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -259.597875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.597875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.597875 (E_RNA)
where:
Base-Base interactions energy: -79.814
where: short stacking energy: -58.763
Base-Backbone interact. energy: -1.211
local terms energy: -178.573198
where:
bonds (distance) C4'-P energy: -60.198
bonds (distance) P-C4' energy: -60.056
flat angles C4'-P-C4' energy: -48.196
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: 10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1095.502996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.502996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.502996 (E_RNA)
where:
Base-Base interactions energy: -727.876
where: short stacking energy: -339.864
Base-Backbone interact. energy: 0.784
local terms energy: -368.411066
where:
bonds (distance) C4'-P energy: -62.405
bonds (distance) P-C4' energy: -59.438
flat angles C4'-P-C4' energy: -85.879
flat angles P-C4'-P energy: -48.237
tors. eta vs tors. theta energy: -112.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1010.858678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.858678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.858678 (E_RNA)
where:
Base-Base interactions energy: -685.026
where: short stacking energy: -277.808
Base-Backbone interact. energy: 4.074
local terms energy: -329.906606
where:
bonds (distance) C4'-P energy: -65.660
bonds (distance) P-C4' energy: -62.690
flat angles C4'-P-C4' energy: -75.530
flat angles P-C4'-P energy: -44.624
tors. eta vs tors. theta energy: -81.403
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: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -954.229484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.229484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.229484 (E_RNA)
where:
Base-Base interactions energy: -640.928
where: short stacking energy: -257.769
Base-Backbone interact. energy: -2.449
local terms energy: -310.852430
where:
bonds (distance) C4'-P energy: -66.045
bonds (distance) P-C4' energy: -62.454
flat angles C4'-P-C4' energy: -62.757
flat angles P-C4'-P energy: -38.186
tors. eta vs tors. theta energy: -81.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -939.830276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.830276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.830276 (E_RNA)
where:
Base-Base interactions energy: -626.791
where: short stacking energy: -260.310
Base-Backbone interact. energy: -0.936
local terms energy: -312.102955
where:
bonds (distance) C4'-P energy: -57.738
bonds (distance) P-C4' energy: -68.376
flat angles C4'-P-C4' energy: -69.967
flat angles P-C4'-P energy: -38.684
tors. eta vs tors. theta energy: -77.339
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: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -776.585694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.585694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.585694 (E_RNA)
where:
Base-Base interactions energy: -483.821
where: short stacking energy: -230.996
Base-Backbone interact. energy: -0.717
local terms energy: -292.048234
where:
bonds (distance) C4'-P energy: -55.391
bonds (distance) P-C4' energy: -60.477
flat angles C4'-P-C4' energy: -67.172
flat angles P-C4'-P energy: -51.900
tors. eta vs tors. theta energy: -57.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -620.307522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.307522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.307522 (E_RNA)
where:
Base-Base interactions energy: -350.223
where: short stacking energy: -181.392
Base-Backbone interact. energy: -1.103
local terms energy: -268.981406
where:
bonds (distance) C4'-P energy: -55.603
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -74.557
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -42.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -332.744727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.744727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.744727 (E_RNA)
where:
Base-Base interactions energy: -115.492
where: short stacking energy: -80.436
Base-Backbone interact. energy: 1.108
local terms energy: -218.360836
where:
bonds (distance) C4'-P energy: -56.570
bonds (distance) P-C4' energy: -63.314
flat angles C4'-P-C4' energy: -61.966
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -317.586217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.586217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.586217 (E_RNA)
where:
Base-Base interactions energy: -112.931
where: short stacking energy: -77.407
Base-Backbone interact. energy: -1.416
local terms energy: -203.239015
where:
bonds (distance) C4'-P energy: -71.452
bonds (distance) P-C4' energy: -56.642
flat angles C4'-P-C4' energy: -47.321
flat angles P-C4'-P energy: -35.860
tors. eta vs tors. theta energy: 8.036
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: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -264.906348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.906348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.906348 (E_RNA)
where:
Base-Base interactions energy: -94.221
where: short stacking energy: -74.175
Base-Backbone interact. energy: -0.979
local terms energy: -169.706088
where:
bonds (distance) C4'-P energy: -41.625
bonds (distance) P-C4' energy: -54.527
flat angles C4'-P-C4' energy: -61.992
flat angles P-C4'-P energy: -28.850
tors. eta vs tors. theta energy: 17.288
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: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -296.025347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.025347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.025347 (E_RNA)
where:
Base-Base interactions energy: -108.540
where: short stacking energy: -83.244
Base-Backbone interact. energy: 0.632
local terms energy: -188.117874
where:
bonds (distance) C4'-P energy: -50.851
bonds (distance) P-C4' energy: -49.011
flat angles C4'-P-C4' energy: -63.275
flat angles P-C4'-P energy: -28.927
tors. eta vs tors. theta energy: 3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1094.084156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.084156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.084156 (E_RNA)
where:
Base-Base interactions energy: -726.407
where: short stacking energy: -331.138
Base-Backbone interact. energy: -0.108
local terms energy: -367.568328
where:
bonds (distance) C4'-P energy: -70.275
bonds (distance) P-C4' energy: -60.756
flat angles C4'-P-C4' energy: -80.363
flat angles P-C4'-P energy: -47.428
tors. eta vs tors. theta energy: -108.747
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: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1031.958838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.958838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.958838 (E_RNA)
where:
Base-Base interactions energy: -673.365
where: short stacking energy: -281.466
Base-Backbone interact. energy: -0.872
local terms energy: -357.721810
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -72.821
flat angles C4'-P-C4' energy: -79.564
flat angles P-C4'-P energy: -52.280
tors. eta vs tors. theta energy: -93.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -941.306168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.306168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.306168 (E_RNA)
where:
Base-Base interactions energy: -631.813
where: short stacking energy: -256.389
Base-Backbone interact. energy: -1.514
local terms energy: -307.979101
where:
bonds (distance) C4'-P energy: -65.637
bonds (distance) P-C4' energy: -67.120
flat angles C4'-P-C4' energy: -66.080
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -69.024
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: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -924.518203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.518203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.518203 (E_RNA)
where:
Base-Base interactions energy: -623.545
where: short stacking energy: -235.948
Base-Backbone interact. energy: 0.132
local terms energy: -301.105355
where:
bonds (distance) C4'-P energy: -60.898
bonds (distance) P-C4' energy: -64.864
flat angles C4'-P-C4' energy: -52.775
flat angles P-C4'-P energy: -41.899
tors. eta vs tors. theta energy: -80.670
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: 133
Temperature: 1.100000
Total energy: -796.106901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.106901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.106901 (E_RNA)
where:
Base-Base interactions energy: -512.209
where: short stacking energy: -228.725
Base-Backbone interact. energy: -0.468
local terms energy: -283.429829
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -52.779
flat angles C4'-P-C4' energy: -62.018
flat angles P-C4'-P energy: -43.484
tors. eta vs tors. theta energy: -70.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -579.382604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.382604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.382604 (E_RNA)
where:
Base-Base interactions energy: -332.969
where: short stacking energy: -153.981
Base-Backbone interact. energy: -0.161
local terms energy: -246.252687
where:
bonds (distance) C4'-P energy: -60.098
bonds (distance) P-C4' energy: -69.727
flat angles C4'-P-C4' energy: -60.305
flat angles P-C4'-P energy: -31.494
tors. eta vs tors. theta energy: -24.630
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: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -342.982820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.982820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.982820 (E_RNA)
where:
Base-Base interactions energy: -139.399
where: short stacking energy: -93.469
Base-Backbone interact. energy: -1.500
local terms energy: -202.084135
where:
bonds (distance) C4'-P energy: -58.602
bonds (distance) P-C4' energy: -62.288
flat angles C4'-P-C4' energy: -59.435
flat angles P-C4'-P energy: -24.641
tors. eta vs tors. theta energy: 2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -294.231746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.231746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.231746 (E_RNA)
where:
Base-Base interactions energy: -96.271
where: short stacking energy: -84.116
Base-Backbone interact. energy: -0.612
local terms energy: -197.348819
where:
bonds (distance) C4'-P energy: -50.995
bonds (distance) P-C4' energy: -68.246
flat angles C4'-P-C4' energy: -52.611
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: 1.128
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: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -296.014743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.014743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.014743 (E_RNA)
where:
Base-Base interactions energy: -93.618
where: short stacking energy: -85.891
Base-Backbone interact. energy: -0.661
local terms energy: -201.736094
where:
bonds (distance) C4'-P energy: -66.659
bonds (distance) P-C4' energy: -51.194
flat angles C4'-P-C4' energy: -45.879
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -6.228
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: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -253.462746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.462746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.462746 (E_RNA)
where:
Base-Base interactions energy: -86.936
where: short stacking energy: -66.315
Base-Backbone interact. energy: 0.168
local terms energy: -166.694472
where:
bonds (distance) C4'-P energy: -63.392
bonds (distance) P-C4' energy: -53.771
flat angles C4'-P-C4' energy: -38.962
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: 18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1097.025807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.025807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.025807 (E_RNA)
where:
Base-Base interactions energy: -728.925
where: short stacking energy: -327.673
Base-Backbone interact. energy: -1.059
local terms energy: -367.041780
where:
bonds (distance) C4'-P energy: -62.620
bonds (distance) P-C4' energy: -66.500
flat angles C4'-P-C4' energy: -76.993
flat angles P-C4'-P energy: -53.115
tors. eta vs tors. theta energy: -107.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1035.386828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.386828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.386828 (E_RNA)
where:
Base-Base interactions energy: -687.928
where: short stacking energy: -284.758
Base-Backbone interact. energy: 0.013
local terms energy: -347.471291
where:
bonds (distance) C4'-P energy: -65.965
bonds (distance) P-C4' energy: -66.190
flat angles C4'-P-C4' energy: -75.012
flat angles P-C4'-P energy: -47.587
tors. eta vs tors. theta energy: -92.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -975.608049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.608049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.608049 (E_RNA)
where:
Base-Base interactions energy: -643.469
where: short stacking energy: -289.300
Base-Backbone interact. energy: 1.908
local terms energy: -334.046790
where:
bonds (distance) C4'-P energy: -58.233
bonds (distance) P-C4' energy: -73.689
flat angles C4'-P-C4' energy: -67.647
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -94.518
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: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -910.649334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.649334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.649334 (E_RNA)
where:
Base-Base interactions energy: -611.088
where: short stacking energy: -230.070
Base-Backbone interact. energy: -3.075
local terms energy: -296.540116
where:
bonds (distance) C4'-P energy: -64.158
bonds (distance) P-C4' energy: -62.646
flat angles C4'-P-C4' energy: -63.791
flat angles P-C4'-P energy: -46.291
tors. eta vs tors. theta energy: -59.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.053 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -792.502664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.502664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.502664 (E_RNA)
where:
Base-Base interactions energy: -511.152
where: short stacking energy: -231.485
Base-Backbone interact. energy: 0.648
local terms energy: -281.998669
where:
bonds (distance) C4'-P energy: -52.489
bonds (distance) P-C4' energy: -64.320
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -37.429
tors. eta vs tors. theta energy: -64.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -602.603250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.603250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.603250 (E_RNA)
where:
Base-Base interactions energy: -354.884
where: short stacking energy: -182.397
Base-Backbone interact. energy: -1.362
local terms energy: -246.356792
where:
bonds (distance) C4'-P energy: -55.545
bonds (distance) P-C4' energy: -63.668
flat angles C4'-P-C4' energy: -56.576
flat angles P-C4'-P energy: -30.343
tors. eta vs tors. theta energy: -40.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -336.373619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.373619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.373619 (E_RNA)
where:
Base-Base interactions energy: -127.674
where: short stacking energy: -80.887
Base-Backbone interact. energy: 0.258
local terms energy: -208.957714
where:
bonds (distance) C4'-P energy: -48.796
bonds (distance) P-C4' energy: -68.080
flat angles C4'-P-C4' energy: -52.912
flat angles P-C4'-P energy: -43.846
tors. eta vs tors. theta energy: 4.677
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: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -312.870579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.870579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.870579 (E_RNA)
where:
Base-Base interactions energy: -121.281
where: short stacking energy: -80.428
Base-Backbone interact. energy: -0.184
local terms energy: -191.406012
where:
bonds (distance) C4'-P energy: -59.638
bonds (distance) P-C4' energy: -68.767
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: 5.024
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: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -296.944687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.944687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.944687 (E_RNA)
where:
Base-Base interactions energy: -105.170
where: short stacking energy: -72.254
Base-Backbone interact. energy: -0.329
local terms energy: -191.446275
where:
bonds (distance) C4'-P energy: -60.420
bonds (distance) P-C4' energy: -58.408
flat angles C4'-P-C4' energy: -47.313
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -264.625854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.625854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.625854 (E_RNA)
where:
Base-Base interactions energy: -78.253
where: short stacking energy: -52.500
Base-Backbone interact. energy: 3.944
local terms energy: -190.317114
where:
bonds (distance) C4'-P energy: -51.459
bonds (distance) P-C4' energy: -64.732
flat angles C4'-P-C4' energy: -52.605
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: 20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1107.440272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.440272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.440272 (E_RNA)
where:
Base-Base interactions energy: -742.309
where: short stacking energy: -321.247
Base-Backbone interact. energy: -1.017
local terms energy: -364.113597
where:
bonds (distance) C4'-P energy: -62.299
bonds (distance) P-C4' energy: -75.729
flat angles C4'-P-C4' energy: -69.935
flat angles P-C4'-P energy: -47.586
tors. eta vs tors. theta energy: -108.565
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: 135
Temperature: 0.950000
Total energy: -1021.502083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.502083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.502083 (E_RNA)
where:
Base-Base interactions energy: -669.806
where: short stacking energy: -286.041
Base-Backbone interact. energy: -0.877
local terms energy: -350.819291
where:
bonds (distance) C4'-P energy: -68.247
bonds (distance) P-C4' energy: -75.967
flat angles C4'-P-C4' energy: -74.478
flat angles P-C4'-P energy: -40.951
tors. eta vs tors. theta energy: -91.176
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: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -993.725077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.725077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.725077 (E_RNA)
where:
Base-Base interactions energy: -669.384
where: short stacking energy: -281.757
Base-Backbone interact. energy: -0.513
local terms energy: -323.828389
where:
bonds (distance) C4'-P energy: -65.260
bonds (distance) P-C4' energy: -51.614
flat angles C4'-P-C4' energy: -77.363
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: -88.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -941.668979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.668979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.668979 (E_RNA)
where:
Base-Base interactions energy: -648.875
where: short stacking energy: -235.773
Base-Backbone interact. energy: 1.904
local terms energy: -294.698574
where:
bonds (distance) C4'-P energy: -60.230
bonds (distance) P-C4' energy: -64.610
flat angles C4'-P-C4' energy: -63.535
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -70.871
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: 135
Temperature: 1.100000
Total energy: -793.132752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.132752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.132752 (E_RNA)
where:
Base-Base interactions energy: -501.887
where: short stacking energy: -210.056
Base-Backbone interact. energy: 1.211
local terms energy: -292.456772
where:
bonds (distance) C4'-P energy: -59.274
bonds (distance) P-C4' energy: -59.012
flat angles C4'-P-C4' energy: -65.179
flat angles P-C4'-P energy: -43.626
tors. eta vs tors. theta energy: -65.366
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: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -564.988085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.988085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.988085 (E_RNA)
where:
Base-Base interactions energy: -298.515
where: short stacking energy: -132.422
Base-Backbone interact. energy: -4.082
local terms energy: -262.390146
where:
bonds (distance) C4'-P energy: -59.320
bonds (distance) P-C4' energy: -67.506
flat angles C4'-P-C4' energy: -63.591
flat angles P-C4'-P energy: -45.830
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -330.615234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.615234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.615234 (E_RNA)
where:
Base-Base interactions energy: -128.826
where: short stacking energy: -88.904
Base-Backbone interact. energy: -1.699
local terms energy: -200.090438
where:
bonds (distance) C4'-P energy: -53.894
bonds (distance) P-C4' energy: -63.302
flat angles C4'-P-C4' energy: -55.065
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: 3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -321.949489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.949489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.949489 (E_RNA)
where:
Base-Base interactions energy: -119.647
where: short stacking energy: -89.842
Base-Backbone interact. energy: 2.661
local terms energy: -204.963494
where:
bonds (distance) C4'-P energy: -49.164
bonds (distance) P-C4' energy: -65.745
flat angles C4'-P-C4' energy: -57.254
flat angles P-C4'-P energy: -32.302
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -291.099317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.099317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.099317 (E_RNA)
where:
Base-Base interactions energy: -104.427
where: short stacking energy: -66.865
Base-Backbone interact. energy: 2.219
local terms energy: -188.891344
where:
bonds (distance) C4'-P energy: -61.944
bonds (distance) P-C4' energy: -63.387
flat angles C4'-P-C4' energy: -43.994
flat angles P-C4'-P energy: -31.681
tors. eta vs tors. theta energy: 12.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -253.053051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.053051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.053051 (E_RNA)
where:
Base-Base interactions energy: -94.392
where: short stacking energy: -67.612
Base-Backbone interact. energy: 2.655
local terms energy: -161.316378
where:
bonds (distance) C4'-P energy: -58.498
bonds (distance) P-C4' energy: -54.861
flat angles C4'-P-C4' energy: -40.950
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: 14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1085.916528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.916528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.916528 (E_RNA)
where:
Base-Base interactions energy: -723.993
where: short stacking energy: -328.235
Base-Backbone interact. energy: -1.161
local terms energy: -360.762533
where:
bonds (distance) C4'-P energy: -57.348
bonds (distance) P-C4' energy: -61.514
flat angles C4'-P-C4' energy: -79.345
flat angles P-C4'-P energy: -54.118
tors. eta vs tors. theta energy: -108.437
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: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1019.803443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.803443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.803443 (E_RNA)
where:
Base-Base interactions energy: -672.238
where: short stacking energy: -272.246
Base-Backbone interact. energy: -1.594
local terms energy: -345.971716
where:
bonds (distance) C4'-P energy: -64.094
bonds (distance) P-C4' energy: -73.901
flat angles C4'-P-C4' energy: -78.199
flat angles P-C4'-P energy: -48.596
tors. eta vs tors. theta energy: -81.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -978.160913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.160913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.160913 (E_RNA)
where:
Base-Base interactions energy: -665.150
where: short stacking energy: -259.066
Base-Backbone interact. energy: -1.791
local terms energy: -311.220634
where:
bonds (distance) C4'-P energy: -56.459
bonds (distance) P-C4' energy: -54.487
flat angles C4'-P-C4' energy: -69.652
flat angles P-C4'-P energy: -50.978
tors. eta vs tors. theta energy: -79.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -937.838274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.838274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.838274 (E_RNA)
where:
Base-Base interactions energy: -615.213
where: short stacking energy: -248.454
Base-Backbone interact. energy: -1.179
local terms energy: -321.446576
where:
bonds (distance) C4'-P energy: -67.571
bonds (distance) P-C4' energy: -57.061
flat angles C4'-P-C4' energy: -65.644
flat angles P-C4'-P energy: -40.382
tors. eta vs tors. theta energy: -90.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -786.043828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.043828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.043828 (E_RNA)
where:
Base-Base interactions energy: -486.854
where: short stacking energy: -208.266
Base-Backbone interact. energy: 1.895
local terms energy: -301.084593
where:
bonds (distance) C4'-P energy: -65.787
bonds (distance) P-C4' energy: -64.931
flat angles C4'-P-C4' energy: -62.383
flat angles P-C4'-P energy: -45.813
tors. eta vs tors. theta energy: -62.171
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: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -609.397755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.397755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.397755 (E_RNA)
where:
Base-Base interactions energy: -346.347
where: short stacking energy: -178.087
Base-Backbone interact. energy: -1.150
local terms energy: -261.900659
where:
bonds (distance) C4'-P energy: -59.111
bonds (distance) P-C4' energy: -63.035
flat angles C4'-P-C4' energy: -59.600
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -38.194
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: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -328.811642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.811642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.811642 (E_RNA)
where:
Base-Base interactions energy: -129.998
where: short stacking energy: -106.147
Base-Backbone interact. energy: 0.518
local terms energy: -200.716820
where:
bonds (distance) C4'-P energy: -55.578
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -54.962
flat angles P-C4'-P energy: -34.553
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.385 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -313.693514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.693514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.693514 (E_RNA)
where:
Base-Base interactions energy: -118.578
where: short stacking energy: -71.938
Base-Backbone interact. energy: -0.527
local terms energy: -194.588584
where:
bonds (distance) C4'-P energy: -49.429
bonds (distance) P-C4' energy: -62.408
flat angles C4'-P-C4' energy: -57.809
flat angles P-C4'-P energy: -32.914
tors. eta vs tors. theta energy: 7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -312.962220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.962220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.962220 (E_RNA)
where:
Base-Base interactions energy: -137.000
where: short stacking energy: -76.026
Base-Backbone interact. energy: -0.171
local terms energy: -175.791721
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -55.864
flat angles C4'-P-C4' energy: -55.217
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: 1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -284.467104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.467104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.467104 (E_RNA)
where:
Base-Base interactions energy: -98.580
where: short stacking energy: -65.266
Base-Backbone interact. energy: -1.156
local terms energy: -184.731173
where:
bonds (distance) C4'-P energy: -60.604
bonds (distance) P-C4' energy: -67.854
flat angles C4'-P-C4' energy: -49.698
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: 11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1076.969487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.969487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.969487 (E_RNA)
where:
Base-Base interactions energy: -705.541
where: short stacking energy: -321.729
Base-Backbone interact. energy: 0.306
local terms energy: -371.734383
where:
bonds (distance) C4'-P energy: -60.779
bonds (distance) P-C4' energy: -69.197
flat angles C4'-P-C4' energy: -76.144
flat angles P-C4'-P energy: -56.209
tors. eta vs tors. theta energy: -109.405
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: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1004.675883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.675883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.675883 (E_RNA)
where:
Base-Base interactions energy: -682.739
where: short stacking energy: -272.206
Base-Backbone interact. energy: 1.961
local terms energy: -323.898073
where:
bonds (distance) C4'-P energy: -63.200
bonds (distance) P-C4' energy: -67.659
flat angles C4'-P-C4' energy: -70.867
flat angles P-C4'-P energy: -38.511
tors. eta vs tors. theta energy: -83.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -969.749577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.749577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.749577 (E_RNA)
where:
Base-Base interactions energy: -644.142
where: short stacking energy: -256.733
Base-Backbone interact. energy: -2.694
local terms energy: -322.913675
where:
bonds (distance) C4'-P energy: -51.037
bonds (distance) P-C4' energy: -70.099
flat angles C4'-P-C4' energy: -71.004
flat angles P-C4'-P energy: -46.985
tors. eta vs tors. theta energy: -83.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -915.414284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.414284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.414284 (E_RNA)
where:
Base-Base interactions energy: -609.577
where: short stacking energy: -254.024
Base-Backbone interact. energy: 1.343
local terms energy: -307.179460
where:
bonds (distance) C4'-P energy: -59.641
bonds (distance) P-C4' energy: -60.505
flat angles C4'-P-C4' energy: -66.575
flat angles P-C4'-P energy: -42.666
tors. eta vs tors. theta energy: -77.793
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: 137
Temperature: 1.100000
Total energy: -817.035654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.035654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.035654 (E_RNA)
where:
Base-Base interactions energy: -526.331
where: short stacking energy: -223.873
Base-Backbone interact. energy: -1.081
local terms energy: -289.623300
where:
bonds (distance) C4'-P energy: -52.264
bonds (distance) P-C4' energy: -71.404
flat angles C4'-P-C4' energy: -68.297
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -59.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -577.636974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.636974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.636974 (E_RNA)
where:
Base-Base interactions energy: -305.885
where: short stacking energy: -154.886
Base-Backbone interact. energy: -0.375
local terms energy: -271.376601
where:
bonds (distance) C4'-P energy: -62.257
bonds (distance) P-C4' energy: -69.881
flat angles C4'-P-C4' energy: -60.443
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: -40.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -388.848289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.848289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.848289 (E_RNA)
where:
Base-Base interactions energy: -185.597
where: short stacking energy: -84.433
Base-Backbone interact. energy: 1.165
local terms energy: -204.416567
where:
bonds (distance) C4'-P energy: -54.961
bonds (distance) P-C4' energy: -66.558
flat angles C4'-P-C4' energy: -65.698
flat angles P-C4'-P energy: -27.985
tors. eta vs tors. theta energy: 10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -307.187145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.187145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.187145 (E_RNA)
where:
Base-Base interactions energy: -122.228
where: short stacking energy: -78.978
Base-Backbone interact. energy: 0.094
local terms energy: -185.053703
where:
bonds (distance) C4'-P energy: -49.311
bonds (distance) P-C4' energy: -59.957
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -21.754
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: 9, replica: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -298.402729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.402729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.402729 (E_RNA)
where:
Base-Base interactions energy: -109.306
where: short stacking energy: -87.928
Base-Backbone interact. energy: -0.713
local terms energy: -188.384310
where:
bonds (distance) C4'-P energy: -64.560
bonds (distance) P-C4' energy: -46.192
flat angles C4'-P-C4' energy: -56.374
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -5.814
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: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -258.578663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.578663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.578663 (E_RNA)
where:
Base-Base interactions energy: -68.149
where: short stacking energy: -44.784
Base-Backbone interact. energy: 0.480
local terms energy: -190.909423
where:
bonds (distance) C4'-P energy: -54.531
bonds (distance) P-C4' energy: -69.487
flat angles C4'-P-C4' energy: -50.431
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: 13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1082.904780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.904780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.904780 (E_RNA)
where:
Base-Base interactions energy: -725.262
where: short stacking energy: -328.424
Base-Backbone interact. energy: -1.218
local terms energy: -356.424051
where:
bonds (distance) C4'-P energy: -60.080
bonds (distance) P-C4' energy: -66.155
flat angles C4'-P-C4' energy: -75.309
flat angles P-C4'-P energy: -47.490
tors. eta vs tors. theta energy: -107.390
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: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -997.343064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.343064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.343064 (E_RNA)
where:
Base-Base interactions energy: -671.687
where: short stacking energy: -267.540
Base-Backbone interact. energy: -0.906
local terms energy: -324.750659
where:
bonds (distance) C4'-P energy: -65.238
bonds (distance) P-C4' energy: -63.022
flat angles C4'-P-C4' energy: -67.426
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -89.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -954.474349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.474349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.474349 (E_RNA)
where:
Base-Base interactions energy: -649.761
where: short stacking energy: -241.196
Base-Backbone interact. energy: -0.276
local terms energy: -304.436952
where:
bonds (distance) C4'-P energy: -66.934
bonds (distance) P-C4' energy: -56.718
flat angles C4'-P-C4' energy: -64.646
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -79.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -956.469245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.469245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.469245 (E_RNA)
where:
Base-Base interactions energy: -643.784
where: short stacking energy: -252.804
Base-Backbone interact. energy: -1.044
local terms energy: -311.640946
where:
bonds (distance) C4'-P energy: -56.902
bonds (distance) P-C4' energy: -59.564
flat angles C4'-P-C4' energy: -64.053
flat angles P-C4'-P energy: -44.284
tors. eta vs tors. theta energy: -86.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -818.541634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.541634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.541634 (E_RNA)
where:
Base-Base interactions energy: -533.570
where: short stacking energy: -218.883
Base-Backbone interact. energy: 1.714
local terms energy: -286.684805
where:
bonds (distance) C4'-P energy: -64.900
bonds (distance) P-C4' energy: -66.316
flat angles C4'-P-C4' energy: -61.770
flat angles P-C4'-P energy: -41.025
tors. eta vs tors. theta energy: -52.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -592.060466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.060466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.060466 (E_RNA)
where:
Base-Base interactions energy: -319.737
where: short stacking energy: -154.330
Base-Backbone interact. energy: -1.578
local terms energy: -270.745684
where:
bonds (distance) C4'-P energy: -52.102
bonds (distance) P-C4' energy: -63.277
flat angles C4'-P-C4' energy: -66.222
flat angles P-C4'-P energy: -50.207
tors. eta vs tors. theta energy: -38.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -311.928484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.928484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.928484 (E_RNA)
where:
Base-Base interactions energy: -122.272
where: short stacking energy: -77.084
Base-Backbone interact. energy: -2.498
local terms energy: -187.157882
where:
bonds (distance) C4'-P energy: -54.029
bonds (distance) P-C4' energy: -71.567
flat angles C4'-P-C4' energy: -57.867
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: 11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -308.631066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.631066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.631066 (E_RNA)
where:
Base-Base interactions energy: -112.484
where: short stacking energy: -84.988
Base-Backbone interact. energy: -2.386
local terms energy: -193.761297
where:
bonds (distance) C4'-P energy: -63.447
bonds (distance) P-C4' energy: -44.473
flat angles C4'-P-C4' energy: -58.476
flat angles P-C4'-P energy: -34.466
tors. eta vs tors. theta energy: 7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -274.864718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.864718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.864718 (E_RNA)
where:
Base-Base interactions energy: -77.030
where: short stacking energy: -71.300
Base-Backbone interact. energy: -3.616
local terms energy: -194.218155
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -61.378
flat angles C4'-P-C4' energy: -48.809
flat angles P-C4'-P energy: -43.032
tors. eta vs tors. theta energy: 8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -256.291585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.291585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.291585 (E_RNA)
where:
Base-Base interactions energy: -82.719
where: short stacking energy: -59.067
Base-Backbone interact. energy: -2.113
local terms energy: -171.459389
where:
bonds (distance) C4'-P energy: -50.118
bonds (distance) P-C4' energy: -46.907
flat angles C4'-P-C4' energy: -54.633
flat angles P-C4'-P energy: -37.604
tors. eta vs tors. theta energy: 17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1097.214888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.214888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.214888 (E_RNA)
where:
Base-Base interactions energy: -720.318
where: short stacking energy: -321.860
Base-Backbone interact. energy: -1.062
local terms energy: -375.834849
where:
bonds (distance) C4'-P energy: -58.060
bonds (distance) P-C4' energy: -74.564
flat angles C4'-P-C4' energy: -72.770
flat angles P-C4'-P energy: -50.867
tors. eta vs tors. theta energy: -119.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1017.156770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.156770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.156770 (E_RNA)
where:
Base-Base interactions energy: -678.651
where: short stacking energy: -275.367
Base-Backbone interact. energy: 3.180
local terms energy: -341.714237
where:
bonds (distance) C4'-P energy: -72.242
bonds (distance) P-C4' energy: -64.989
flat angles C4'-P-C4' energy: -70.808
flat angles P-C4'-P energy: -44.471
tors. eta vs tors. theta energy: -89.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.028 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -955.675107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.675107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.675107 (E_RNA)
where:
Base-Base interactions energy: -642.048
where: short stacking energy: -254.920
Base-Backbone interact. energy: -0.216
local terms energy: -313.410880
where:
bonds (distance) C4'-P energy: -66.920
bonds (distance) P-C4' energy: -52.955
flat angles C4'-P-C4' energy: -72.850
flat angles P-C4'-P energy: -37.802
tors. eta vs tors. theta energy: -82.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -957.150528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.150528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.150528 (E_RNA)
where:
Base-Base interactions energy: -627.000
where: short stacking energy: -267.308
Base-Backbone interact. energy: -0.908
local terms energy: -329.242850
where:
bonds (distance) C4'-P energy: -64.762
bonds (distance) P-C4' energy: -62.022
flat angles C4'-P-C4' energy: -75.869
flat angles P-C4'-P energy: -39.488
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: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -813.438807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.438807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.438807 (E_RNA)
where:
Base-Base interactions energy: -517.753
where: short stacking energy: -245.299
Base-Backbone interact. energy: -2.073
local terms energy: -293.612819
where:
bonds (distance) C4'-P energy: -49.103
bonds (distance) P-C4' energy: -72.945
flat angles C4'-P-C4' energy: -62.256
flat angles P-C4'-P energy: -40.507
tors. eta vs tors. theta energy: -68.802
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: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -596.558527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.558527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.558527 (E_RNA)
where:
Base-Base interactions energy: -334.747
where: short stacking energy: -169.176
Base-Backbone interact. energy: -1.495
local terms energy: -260.317142
where:
bonds (distance) C4'-P energy: -57.744
bonds (distance) P-C4' energy: -60.175
flat angles C4'-P-C4' energy: -67.761
flat angles P-C4'-P energy: -35.572
tors. eta vs tors. theta energy: -39.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -353.940443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.940443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.940443 (E_RNA)
where:
Base-Base interactions energy: -134.454
where: short stacking energy: -83.443
Base-Backbone interact. energy: -0.352
local terms energy: -219.134339
where:
bonds (distance) C4'-P energy: -67.029
bonds (distance) P-C4' energy: -58.163
flat angles C4'-P-C4' energy: -44.289
flat angles P-C4'-P energy: -47.488
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -320.754567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.754567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.754567 (E_RNA)
where:
Base-Base interactions energy: -101.705
where: short stacking energy: -75.267
Base-Backbone interact. energy: 0.933
local terms energy: -219.982552
where:
bonds (distance) C4'-P energy: -55.878
bonds (distance) P-C4' energy: -70.879
flat angles C4'-P-C4' energy: -40.122
flat angles P-C4'-P energy: -40.693
tors. eta vs tors. theta energy: -12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -303.257097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.257097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.257097 (E_RNA)
where:
Base-Base interactions energy: -102.044
where: short stacking energy: -70.574
Base-Backbone interact. energy: -0.117
local terms energy: -201.096410
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -66.308
flat angles C4'-P-C4' energy: -52.614
flat angles P-C4'-P energy: -23.754
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: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -240.567996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.567996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.567996 (E_RNA)
where:
Base-Base interactions energy: -84.002
where: short stacking energy: -65.935
Base-Backbone interact. energy: 1.710
local terms energy: -158.275585
where:
bonds (distance) C4'-P energy: -54.573
bonds (distance) P-C4' energy: -51.468
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: 10.771
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: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1102.337770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.337770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.337770 (E_RNA)
where:
Base-Base interactions energy: -732.163
where: short stacking energy: -340.666
Base-Backbone interact. energy: 2.233
local terms energy: -372.407019
where:
bonds (distance) C4'-P energy: -70.309
bonds (distance) P-C4' energy: -65.068
flat angles C4'-P-C4' energy: -76.183
flat angles P-C4'-P energy: -51.717
tors. eta vs tors. theta energy: -109.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1016.231407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.231407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.231407 (E_RNA)
where:
Base-Base interactions energy: -666.102
where: short stacking energy: -287.233
Base-Backbone interact. energy: 1.521
local terms energy: -351.650666
where:
bonds (distance) C4'-P energy: -76.304
bonds (distance) P-C4' energy: -62.530
flat angles C4'-P-C4' energy: -77.144
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -88.697
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: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1013.698127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.698127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.698127 (E_RNA)
where:
Base-Base interactions energy: -663.342
where: short stacking energy: -268.394
Base-Backbone interact. energy: -1.179
local terms energy: -349.176854
where:
bonds (distance) C4'-P energy: -61.637
bonds (distance) P-C4' energy: -68.895
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -40.808
tors. eta vs tors. theta energy: -96.338
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: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -907.258852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.258852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.258852 (E_RNA)
where:
Base-Base interactions energy: -629.270
where: short stacking energy: -244.955
Base-Backbone interact. energy: -2.268
local terms energy: -275.721165
where:
bonds (distance) C4'-P energy: -58.305
bonds (distance) P-C4' energy: -64.025
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -30.836
tors. eta vs tors. theta energy: -63.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -815.900659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.900659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.900659 (E_RNA)
where:
Base-Base interactions energy: -528.490
where: short stacking energy: -228.135
Base-Backbone interact. energy: -0.477
local terms energy: -286.934056
where:
bonds (distance) C4'-P energy: -58.511
bonds (distance) P-C4' energy: -60.966
flat angles C4'-P-C4' energy: -66.265
flat angles P-C4'-P energy: -27.658
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: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -588.693978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.693978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.693978 (E_RNA)
where:
Base-Base interactions energy: -332.343
where: short stacking energy: -160.282
Base-Backbone interact. energy: -0.891
local terms energy: -255.459928
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -58.741
flat angles C4'-P-C4' energy: -54.568
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -41.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -346.691263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.691263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.691263 (E_RNA)
where:
Base-Base interactions energy: -126.730
where: short stacking energy: -89.877
Base-Backbone interact. energy: -1.218
local terms energy: -218.742634
where:
bonds (distance) C4'-P energy: -56.187
bonds (distance) P-C4' energy: -59.714
flat angles C4'-P-C4' energy: -66.603
flat angles P-C4'-P energy: -40.781
tors. eta vs tors. theta energy: 4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -319.122654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.122654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.122654 (E_RNA)
where:
Base-Base interactions energy: -102.243
where: short stacking energy: -80.356
Base-Backbone interact. energy: -1.668
local terms energy: -215.211252
where:
bonds (distance) C4'-P energy: -61.485
bonds (distance) P-C4' energy: -66.074
flat angles C4'-P-C4' energy: -59.058
flat angles P-C4'-P energy: -30.518
tors. eta vs tors. theta energy: 1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -292.818766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.818766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.818766 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -77.770
Base-Backbone interact. energy: 1.652
local terms energy: -182.048315
where:
bonds (distance) C4'-P energy: -53.218
bonds (distance) P-C4' energy: -66.020
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: 9.489
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: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -262.411118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.411118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.411118 (E_RNA)
where:
Base-Base interactions energy: -76.648
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.921
local terms energy: -184.841482
where:
bonds (distance) C4'-P energy: -49.522
bonds (distance) P-C4' energy: -52.418
flat angles C4'-P-C4' energy: -46.005
flat angles P-C4'-P energy: -34.205
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1086.996148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.996148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.996148 (E_RNA)
where:
Base-Base interactions energy: -728.166
where: short stacking energy: -321.105
Base-Backbone interact. energy: -1.173
local terms energy: -357.656491
where:
bonds (distance) C4'-P energy: -65.996
bonds (distance) P-C4' energy: -61.930
flat angles C4'-P-C4' energy: -76.106
flat angles P-C4'-P energy: -54.160
tors. eta vs tors. theta energy: -99.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1036.162750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.162750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.162750 (E_RNA)
where:
Base-Base interactions energy: -705.628
where: short stacking energy: -298.892
Base-Backbone interact. energy: 1.351
local terms energy: -332.057516
where:
bonds (distance) C4'-P energy: -70.133
bonds (distance) P-C4' energy: -59.332
flat angles C4'-P-C4' energy: -65.726
flat angles P-C4'-P energy: -45.125
tors. eta vs tors. theta energy: -91.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.172 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1006.116677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.116677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.116677 (E_RNA)
where:
Base-Base interactions energy: -675.600
where: short stacking energy: -286.009
Base-Backbone interact. energy: -1.654
local terms energy: -328.862524
where:
bonds (distance) C4'-P energy: -54.603
bonds (distance) P-C4' energy: -68.887
flat angles C4'-P-C4' energy: -63.073
flat angles P-C4'-P energy: -48.924
tors. eta vs tors. theta energy: -93.375
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: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -897.019624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.019624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.019624 (E_RNA)
where:
Base-Base interactions energy: -608.206
where: short stacking energy: -242.085
Base-Backbone interact. energy: 3.638
local terms energy: -292.451378
where:
bonds (distance) C4'-P energy: -64.915
bonds (distance) P-C4' energy: -61.110
flat angles C4'-P-C4' energy: -65.253
flat angles P-C4'-P energy: -33.544
tors. eta vs tors. theta energy: -67.629
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: 141
Temperature: 1.100000
Total energy: -819.822688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.822688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.822688 (E_RNA)
where:
Base-Base interactions energy: -508.417
where: short stacking energy: -220.933
Base-Backbone interact. energy: -2.467
local terms energy: -308.938434
where:
bonds (distance) C4'-P energy: -65.353
bonds (distance) P-C4' energy: -65.039
flat angles C4'-P-C4' energy: -62.592
flat angles P-C4'-P energy: -48.918
tors. eta vs tors. theta energy: -67.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -592.460814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.460814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.460814 (E_RNA)
where:
Base-Base interactions energy: -348.644
where: short stacking energy: -161.073
Base-Backbone interact. energy: 4.944
local terms energy: -248.761040
where:
bonds (distance) C4'-P energy: -55.361
bonds (distance) P-C4' energy: -64.386
flat angles C4'-P-C4' energy: -71.792
flat angles P-C4'-P energy: -35.041
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -346.833903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.833903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.833903 (E_RNA)
where:
Base-Base interactions energy: -161.610
where: short stacking energy: -84.585
Base-Backbone interact. energy: -2.877
local terms energy: -182.347484
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -55.863
flat angles C4'-P-C4' energy: -52.030
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: 8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -295.454684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.454684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.454684 (E_RNA)
where:
Base-Base interactions energy: -106.809
where: short stacking energy: -82.579
Base-Backbone interact. energy: -0.996
local terms energy: -187.649581
where:
bonds (distance) C4'-P energy: -62.318
bonds (distance) P-C4' energy: -71.039
flat angles C4'-P-C4' energy: -36.520
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: 15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -299.718268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.718268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.718268 (E_RNA)
where:
Base-Base interactions energy: -104.735
where: short stacking energy: -75.792
Base-Backbone interact. energy: -0.071
local terms energy: -194.912995
where:
bonds (distance) C4'-P energy: -57.734
bonds (distance) P-C4' energy: -48.656
flat angles C4'-P-C4' energy: -54.627
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -254.917793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.917793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.917793 (E_RNA)
where:
Base-Base interactions energy: -95.167
where: short stacking energy: -72.913
Base-Backbone interact. energy: -1.758
local terms energy: -157.993238
where:
bonds (distance) C4'-P energy: -58.040
bonds (distance) P-C4' energy: -47.767
flat angles C4'-P-C4' energy: -51.133
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: 16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1110.358779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.358779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.358779 (E_RNA)
where:
Base-Base interactions energy: -737.148
where: short stacking energy: -339.236
Base-Backbone interact. energy: -0.482
local terms energy: -372.728919
where:
bonds (distance) C4'-P energy: -68.352
bonds (distance) P-C4' energy: -66.182
flat angles C4'-P-C4' energy: -70.994
flat angles P-C4'-P energy: -57.036
tors. eta vs tors. theta energy: -110.165
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: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1008.566305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.566305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.566305 (E_RNA)
where:
Base-Base interactions energy: -681.409
where: short stacking energy: -287.835
Base-Backbone interact. energy: -1.675
local terms energy: -325.482935
where:
bonds (distance) C4'-P energy: -70.317
bonds (distance) P-C4' energy: -64.348
flat angles C4'-P-C4' energy: -67.224
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -84.902
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: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1000.018311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.018311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.018311 (E_RNA)
where:
Base-Base interactions energy: -668.056
where: short stacking energy: -282.018
Base-Backbone interact. energy: -1.041
local terms energy: -330.921399
where:
bonds (distance) C4'-P energy: -69.773
bonds (distance) P-C4' energy: -67.011
flat angles C4'-P-C4' energy: -67.841
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -91.203
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: 142
Temperature: 1.050000
Total energy: -902.339281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.339281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.339281 (E_RNA)
where:
Base-Base interactions energy: -612.204
where: short stacking energy: -241.799
Base-Backbone interact. energy: -2.074
local terms energy: -288.061774
where:
bonds (distance) C4'-P energy: -62.182
bonds (distance) P-C4' energy: -58.372
flat angles C4'-P-C4' energy: -59.002
flat angles P-C4'-P energy: -37.911
tors. eta vs tors. theta energy: -70.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -809.276074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.276074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.276074 (E_RNA)
where:
Base-Base interactions energy: -546.726
where: short stacking energy: -245.620
Base-Backbone interact. energy: 1.154
local terms energy: -263.704257
where:
bonds (distance) C4'-P energy: -58.269
bonds (distance) P-C4' energy: -48.834
flat angles C4'-P-C4' energy: -55.472
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -59.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -621.648413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.648413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.648413 (E_RNA)
where:
Base-Base interactions energy: -351.307
where: short stacking energy: -168.800
Base-Backbone interact. energy: -1.779
local terms energy: -268.562489
where:
bonds (distance) C4'-P energy: -58.293
bonds (distance) P-C4' energy: -50.669
flat angles C4'-P-C4' energy: -67.148
flat angles P-C4'-P energy: -42.816
tors. eta vs tors. theta energy: -49.637
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: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -339.722349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.722349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.722349 (E_RNA)
where:
Base-Base interactions energy: -134.395
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.086
local terms energy: -205.240922
where:
bonds (distance) C4'-P energy: -60.017
bonds (distance) P-C4' energy: -53.986
flat angles C4'-P-C4' energy: -51.008
flat angles P-C4'-P energy: -43.292
tors. eta vs tors. theta energy: 3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -325.257841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.257841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.257841 (E_RNA)
where:
Base-Base interactions energy: -128.635
where: short stacking energy: -105.967
Base-Backbone interact. energy: 0.241
local terms energy: -196.863091
where:
bonds (distance) C4'-P energy: -58.302
bonds (distance) P-C4' energy: -60.911
flat angles C4'-P-C4' energy: -41.401
flat angles P-C4'-P energy: -33.730
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -288.964241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.964241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.964241 (E_RNA)
where:
Base-Base interactions energy: -98.589
where: short stacking energy: -58.783
Base-Backbone interact. energy: -1.089
local terms energy: -189.286200
where:
bonds (distance) C4'-P energy: -53.632
bonds (distance) P-C4' energy: -65.739
flat angles C4'-P-C4' energy: -48.914
flat angles P-C4'-P energy: -32.516
tors. eta vs tors. theta energy: 11.514
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: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -268.397538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.397538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.397538 (E_RNA)
where:
Base-Base interactions energy: -77.280
where: short stacking energy: -57.769
Base-Backbone interact. energy: -0.599
local terms energy: -190.908043
where:
bonds (distance) C4'-P energy: -53.782
bonds (distance) P-C4' energy: -58.051
flat angles C4'-P-C4' energy: -56.182
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: 8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.389 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1076.681841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.681841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.681841 (E_RNA)
where:
Base-Base interactions energy: -682.510
where: short stacking energy: -320.074
Base-Backbone interact. energy: 0.092
local terms energy: -394.263648
where:
bonds (distance) C4'-P energy: -62.741
bonds (distance) P-C4' energy: -81.588
flat angles C4'-P-C4' energy: -81.885
flat angles P-C4'-P energy: -56.056
tors. eta vs tors. theta energy: -111.994
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: 143
Temperature: 0.950000
Total energy: -1051.495029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.495029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.495029 (E_RNA)
where:
Base-Base interactions energy: -708.936
where: short stacking energy: -320.713
Base-Backbone interact. energy: -0.466
local terms energy: -342.092418
where:
bonds (distance) C4'-P energy: -61.533
bonds (distance) P-C4' energy: -61.182
flat angles C4'-P-C4' energy: -73.085
flat angles P-C4'-P energy: -44.375
tors. eta vs tors. theta energy: -101.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -981.761363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.761363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.761363 (E_RNA)
where:
Base-Base interactions energy: -642.874
where: short stacking energy: -284.546
Base-Backbone interact. energy: 3.805
local terms energy: -342.692381
where:
bonds (distance) C4'-P energy: -66.905
bonds (distance) P-C4' energy: -64.766
flat angles C4'-P-C4' energy: -71.752
flat angles P-C4'-P energy: -43.324
tors. eta vs tors. theta energy: -95.946
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: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -910.272991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.272991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.272991 (E_RNA)
where:
Base-Base interactions energy: -605.723
where: short stacking energy: -243.749
Base-Backbone interact. energy: -2.502
local terms energy: -302.048326
where:
bonds (distance) C4'-P energy: -59.544
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -65.415
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -79.292
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: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -792.199766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.199766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.199766 (E_RNA)
where:
Base-Base interactions energy: -520.192
where: short stacking energy: -224.083
Base-Backbone interact. energy: -0.540
local terms energy: -271.467749
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -59.115
flat angles C4'-P-C4' energy: -56.968
flat angles P-C4'-P energy: -42.316
tors. eta vs tors. theta energy: -56.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -604.515188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.515188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.515188 (E_RNA)
where:
Base-Base interactions energy: -351.235
where: short stacking energy: -180.873
Base-Backbone interact. energy: 2.039
local terms energy: -255.319636
where:
bonds (distance) C4'-P energy: -58.750
bonds (distance) P-C4' energy: -54.365
flat angles C4'-P-C4' energy: -60.584
flat angles P-C4'-P energy: -29.756
tors. eta vs tors. theta energy: -51.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -353.970557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.970557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.970557 (E_RNA)
where:
Base-Base interactions energy: -146.386
where: short stacking energy: -86.772
Base-Backbone interact. energy: 2.599
local terms energy: -210.183822
where:
bonds (distance) C4'-P energy: -58.551
bonds (distance) P-C4' energy: -71.875
flat angles C4'-P-C4' energy: -57.565
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -288.674204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.674204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.674204 (E_RNA)
where:
Base-Base interactions energy: -105.571
where: short stacking energy: -77.329
Base-Backbone interact. energy: 0.024
local terms energy: -183.127657
where:
bonds (distance) C4'-P energy: -55.425
bonds (distance) P-C4' energy: -69.154
flat angles C4'-P-C4' energy: -47.397
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: 7.148
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: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -274.973118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.973118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.973118 (E_RNA)
where:
Base-Base interactions energy: -77.369
where: short stacking energy: -70.927
Base-Backbone interact. energy: 0.331
local terms energy: -197.935779
where:
bonds (distance) C4'-P energy: -59.155
bonds (distance) P-C4' energy: -70.925
flat angles C4'-P-C4' energy: -40.274
flat angles P-C4'-P energy: -33.245
tors. eta vs tors. theta energy: 5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -252.118663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.118663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.118663 (E_RNA)
where:
Base-Base interactions energy: -87.526
where: short stacking energy: -47.674
Base-Backbone interact. energy: 3.499
local terms energy: -168.091168
where:
bonds (distance) C4'-P energy: -51.500
bonds (distance) P-C4' energy: -65.012
flat angles C4'-P-C4' energy: -54.053
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: 22.337
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: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1123.135779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.135779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.135779 (E_RNA)
where:
Base-Base interactions energy: -740.280
where: short stacking energy: -343.983
Base-Backbone interact. energy: -0.444
local terms energy: -382.411788
where:
bonds (distance) C4'-P energy: -71.628
bonds (distance) P-C4' energy: -64.045
flat angles C4'-P-C4' energy: -77.980
flat angles P-C4'-P energy: -52.649
tors. eta vs tors. theta energy: -116.109
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: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1030.455906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.455906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.455906 (E_RNA)
where:
Base-Base interactions energy: -683.311
where: short stacking energy: -276.552
Base-Backbone interact. energy: -2.937
local terms energy: -344.208497
where:
bonds (distance) C4'-P energy: -68.043
bonds (distance) P-C4' energy: -63.127
flat angles C4'-P-C4' energy: -79.145
flat angles P-C4'-P energy: -43.234
tors. eta vs tors. theta energy: -90.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -970.551838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.551838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.551838 (E_RNA)
where:
Base-Base interactions energy: -671.528
where: short stacking energy: -252.783
Base-Backbone interact. energy: -0.401
local terms energy: -298.623230
where:
bonds (distance) C4'-P energy: -47.550
bonds (distance) P-C4' energy: -61.215
flat angles C4'-P-C4' energy: -68.212
flat angles P-C4'-P energy: -36.905
tors. eta vs tors. theta energy: -84.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -964.558905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.558905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.558905 (E_RNA)
where:
Base-Base interactions energy: -649.049
where: short stacking energy: -239.034
Base-Backbone interact. energy: -0.550
local terms energy: -314.960271
where:
bonds (distance) C4'-P energy: -67.766
bonds (distance) P-C4' energy: -71.287
flat angles C4'-P-C4' energy: -67.429
flat angles P-C4'-P energy: -40.187
tors. eta vs tors. theta energy: -68.292
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: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -800.020389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.020389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.020389 (E_RNA)
where:
Base-Base interactions energy: -519.322
where: short stacking energy: -238.169
Base-Backbone interact. energy: -1.468
local terms energy: -279.229763
where:
bonds (distance) C4'-P energy: -63.508
bonds (distance) P-C4' energy: -52.884
flat angles C4'-P-C4' energy: -51.166
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -67.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -571.296889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.296889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.296889 (E_RNA)
where:
Base-Base interactions energy: -333.666
where: short stacking energy: -145.894
Base-Backbone interact. energy: 0.735
local terms energy: -238.365887
where:
bonds (distance) C4'-P energy: -61.768
bonds (distance) P-C4' energy: -68.042
flat angles C4'-P-C4' energy: -63.748
flat angles P-C4'-P energy: -27.869
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -354.661436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.661436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.661436 (E_RNA)
where:
Base-Base interactions energy: -163.620
where: short stacking energy: -104.077
Base-Backbone interact. energy: -2.094
local terms energy: -188.946693
where:
bonds (distance) C4'-P energy: -49.643
bonds (distance) P-C4' energy: -60.161
flat angles C4'-P-C4' energy: -40.844
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -291.863714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.863714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.863714 (E_RNA)
where:
Base-Base interactions energy: -80.837
where: short stacking energy: -61.773
Base-Backbone interact. energy: -1.537
local terms energy: -209.489833
where:
bonds (distance) C4'-P energy: -62.766
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -55.324
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: 0.628
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: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -274.789238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.789238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.789238 (E_RNA)
where:
Base-Base interactions energy: -81.764
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.659
local terms energy: -192.365722
where:
bonds (distance) C4'-P energy: -48.511
bonds (distance) P-C4' energy: -59.950
flat angles C4'-P-C4' energy: -64.324
flat angles P-C4'-P energy: -32.054
tors. eta vs tors. theta energy: 12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -262.408360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.408360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.408360 (E_RNA)
where:
Base-Base interactions energy: -89.517
where: short stacking energy: -66.490
Base-Backbone interact. energy: 6.212
local terms energy: -179.103069
where:
bonds (distance) C4'-P energy: -44.497
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -44.993
flat angles P-C4'-P energy: -31.123
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1080.485618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.485618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.485618 (E_RNA)
where:
Base-Base interactions energy: -715.686
where: short stacking energy: -310.264
Base-Backbone interact. energy: 1.556
local terms energy: -366.355546
where:
bonds (distance) C4'-P energy: -70.192
bonds (distance) P-C4' energy: -65.214
flat angles C4'-P-C4' energy: -78.409
flat angles P-C4'-P energy: -48.175
tors. eta vs tors. theta energy: -104.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1053.922383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.922383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.922383 (E_RNA)
where:
Base-Base interactions energy: -698.834
where: short stacking energy: -299.463
Base-Backbone interact. energy: -2.034
local terms energy: -353.054428
where:
bonds (distance) C4'-P energy: -66.332
bonds (distance) P-C4' energy: -65.601
flat angles C4'-P-C4' energy: -72.844
flat angles P-C4'-P energy: -47.717
tors. eta vs tors. theta energy: -100.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -962.457038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.457038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.457038 (E_RNA)
where:
Base-Base interactions energy: -635.411
where: short stacking energy: -277.875
Base-Backbone interact. energy: -0.141
local terms energy: -326.905932
where:
bonds (distance) C4'-P energy: -56.827
bonds (distance) P-C4' energy: -68.416
flat angles C4'-P-C4' energy: -71.071
flat angles P-C4'-P energy: -44.202
tors. eta vs tors. theta energy: -86.391
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: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -942.367567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.367567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.367567 (E_RNA)
where:
Base-Base interactions energy: -621.904
where: short stacking energy: -252.830
Base-Backbone interact. energy: -2.395
local terms energy: -318.068978
where:
bonds (distance) C4'-P energy: -54.419
bonds (distance) P-C4' energy: -64.306
flat angles C4'-P-C4' energy: -75.560
flat angles P-C4'-P energy: -42.820
tors. eta vs tors. theta energy: -80.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -753.708279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.708279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.708279 (E_RNA)
where:
Base-Base interactions energy: -476.561
where: short stacking energy: -199.654
Base-Backbone interact. energy: -1.973
local terms energy: -275.174852
where:
bonds (distance) C4'-P energy: -65.064
bonds (distance) P-C4' energy: -60.707
flat angles C4'-P-C4' energy: -62.232
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: -53.026
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: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -607.263225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.263225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.263225 (E_RNA)
where:
Base-Base interactions energy: -340.195
where: short stacking energy: -150.647
Base-Backbone interact. energy: 0.391
local terms energy: -267.459347
where:
bonds (distance) C4'-P energy: -64.718
bonds (distance) P-C4' energy: -61.105
flat angles C4'-P-C4' energy: -63.705
flat angles P-C4'-P energy: -48.014
tors. eta vs tors. theta energy: -29.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -338.717390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.717390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.717390 (E_RNA)
where:
Base-Base interactions energy: -140.349
where: short stacking energy: -93.600
Base-Backbone interact. energy: -1.819
local terms energy: -196.549522
where:
bonds (distance) C4'-P energy: -62.267
bonds (distance) P-C4' energy: -60.625
flat angles C4'-P-C4' energy: -48.080
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: 4.574
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: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -322.336584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.336584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.336584 (E_RNA)
where:
Base-Base interactions energy: -119.564
where: short stacking energy: -80.608
Base-Backbone interact. energy: 2.623
local terms energy: -205.396454
where:
bonds (distance) C4'-P energy: -63.042
bonds (distance) P-C4' energy: -63.210
flat angles C4'-P-C4' energy: -52.501
flat angles P-C4'-P energy: -19.977
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: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -297.859020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.859020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.859020 (E_RNA)
where:
Base-Base interactions energy: -113.901
where: short stacking energy: -75.253
Base-Backbone interact. energy: -2.326
local terms energy: -181.631248
where:
bonds (distance) C4'-P energy: -53.096
bonds (distance) P-C4' energy: -68.041
flat angles C4'-P-C4' energy: -36.958
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -239.570329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.570329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.570329 (E_RNA)
where:
Base-Base interactions energy: -95.946
where: short stacking energy: -68.484
Base-Backbone interact. energy: 1.013
local terms energy: -144.636909
where:
bonds (distance) C4'-P energy: -50.788
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -36.621
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: 14.901
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: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1070.802478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.802478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.802478 (E_RNA)
where:
Base-Base interactions energy: -709.324
where: short stacking energy: -295.426
Base-Backbone interact. energy: -1.478
local terms energy: -360.000137
where:
bonds (distance) C4'-P energy: -65.326
bonds (distance) P-C4' energy: -67.960
flat angles C4'-P-C4' energy: -70.000
flat angles P-C4'-P energy: -52.700
tors. eta vs tors. theta energy: -104.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1060.872197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.872197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.872197 (E_RNA)
where:
Base-Base interactions energy: -712.054
where: short stacking energy: -328.639
Base-Backbone interact. energy: -0.711
local terms energy: -348.107552
where:
bonds (distance) C4'-P energy: -58.240
bonds (distance) P-C4' energy: -63.999
flat angles C4'-P-C4' energy: -77.103
flat angles P-C4'-P energy: -45.068
tors. eta vs tors. theta energy: -103.697
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: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -995.090185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.090185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.090185 (E_RNA)
where:
Base-Base interactions energy: -664.150
where: short stacking energy: -274.835
Base-Backbone interact. energy: -1.100
local terms energy: -329.840706
where:
bonds (distance) C4'-P energy: -61.373
bonds (distance) P-C4' energy: -60.744
flat angles C4'-P-C4' energy: -66.101
flat angles P-C4'-P energy: -45.033
tors. eta vs tors. theta energy: -96.590
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: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -905.822627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.822627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.822627 (E_RNA)
where:
Base-Base interactions energy: -616.467
where: short stacking energy: -249.277
Base-Backbone interact. energy: -1.129
local terms energy: -288.226861
where:
bonds (distance) C4'-P energy: -57.208
bonds (distance) P-C4' energy: -67.461
flat angles C4'-P-C4' energy: -59.590
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -75.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -782.222690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.222690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.222690 (E_RNA)
where:
Base-Base interactions energy: -485.429
where: short stacking energy: -219.402
Base-Backbone interact. energy: -1.504
local terms energy: -295.290378
where:
bonds (distance) C4'-P energy: -65.778
bonds (distance) P-C4' energy: -65.492
flat angles C4'-P-C4' energy: -63.591
flat angles P-C4'-P energy: -43.950
tors. eta vs tors. theta energy: -56.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -587.901286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.901286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.901286 (E_RNA)
where:
Base-Base interactions energy: -349.558
where: short stacking energy: -149.822
Base-Backbone interact. energy: 0.457
local terms energy: -238.801076
where:
bonds (distance) C4'-P energy: -59.214
bonds (distance) P-C4' energy: -60.957
flat angles C4'-P-C4' energy: -46.754
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -29.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -307.758738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.758738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.758738 (E_RNA)
where:
Base-Base interactions energy: -105.465
where: short stacking energy: -73.396
Base-Backbone interact. energy: 1.190
local terms energy: -203.484223
where:
bonds (distance) C4'-P energy: -60.841
bonds (distance) P-C4' energy: -60.799
flat angles C4'-P-C4' energy: -51.352
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: 7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -312.954985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.954985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.954985 (E_RNA)
where:
Base-Base interactions energy: -94.990
where: short stacking energy: -65.580
Base-Backbone interact. energy: -2.327
local terms energy: -215.638138
where:
bonds (distance) C4'-P energy: -68.475
bonds (distance) P-C4' energy: -59.147
flat angles C4'-P-C4' energy: -59.866
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: 1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -269.585726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.585726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.585726 (E_RNA)
where:
Base-Base interactions energy: -87.569
where: short stacking energy: -72.828
Base-Backbone interact. energy: 1.897
local terms energy: -183.914204
where:
bonds (distance) C4'-P energy: -56.464
bonds (distance) P-C4' energy: -66.795
flat angles C4'-P-C4' energy: -51.213
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: 1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -270.069259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.069259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.069259 (E_RNA)
where:
Base-Base interactions energy: -104.262
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.010
local terms energy: -165.797215
where:
bonds (distance) C4'-P energy: -56.824
bonds (distance) P-C4' energy: -55.233
flat angles C4'-P-C4' energy: -37.134
flat angles P-C4'-P energy: -31.709
tors. eta vs tors. theta energy: 15.103
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: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1087.131848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.131848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.131848 (E_RNA)
where:
Base-Base interactions energy: -731.990
where: short stacking energy: -285.957
Base-Backbone interact. energy: -3.374
local terms energy: -351.767488
where:
bonds (distance) C4'-P energy: -71.967
bonds (distance) P-C4' energy: -70.154
flat angles C4'-P-C4' energy: -66.133
flat angles P-C4'-P energy: -53.158
tors. eta vs tors. theta energy: -90.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1052.171265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.171265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.171265 (E_RNA)
where:
Base-Base interactions energy: -688.360
where: short stacking energy: -306.583
Base-Backbone interact. energy: -0.043
local terms energy: -363.768803
where:
bonds (distance) C4'-P energy: -68.361
bonds (distance) P-C4' energy: -65.325
flat angles C4'-P-C4' energy: -73.633
flat angles P-C4'-P energy: -55.039
tors. eta vs tors. theta energy: -101.410
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: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -980.323555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.323555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.323555 (E_RNA)
where:
Base-Base interactions energy: -645.290
where: short stacking energy: -254.190
Base-Backbone interact. energy: -0.538
local terms energy: -334.495088
where:
bonds (distance) C4'-P energy: -74.695
bonds (distance) P-C4' energy: -64.572
flat angles C4'-P-C4' energy: -73.220
flat angles P-C4'-P energy: -44.415
tors. eta vs tors. theta energy: -77.594
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: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -884.257661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.257661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.257661 (E_RNA)
where:
Base-Base interactions energy: -594.805
where: short stacking energy: -249.158
Base-Backbone interact. energy: -2.105
local terms energy: -287.347074
where:
bonds (distance) C4'-P energy: -58.155
bonds (distance) P-C4' energy: -59.555
flat angles C4'-P-C4' energy: -60.531
flat angles P-C4'-P energy: -48.638
tors. eta vs tors. theta energy: -60.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -752.533063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.533063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.533063 (E_RNA)
where:
Base-Base interactions energy: -463.617
where: short stacking energy: -191.053
Base-Backbone interact. energy: 0.398
local terms energy: -289.314752
where:
bonds (distance) C4'-P energy: -69.464
bonds (distance) P-C4' energy: -63.108
flat angles C4'-P-C4' energy: -62.075
flat angles P-C4'-P energy: -41.114
tors. eta vs tors. theta energy: -53.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -630.268713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.268713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.268713 (E_RNA)
where:
Base-Base interactions energy: -379.578
where: short stacking energy: -164.029
Base-Backbone interact. energy: 1.496
local terms energy: -252.186653
where:
bonds (distance) C4'-P energy: -52.707
bonds (distance) P-C4' energy: -61.206
flat angles C4'-P-C4' energy: -69.847
flat angles P-C4'-P energy: -33.148
tors. eta vs tors. theta energy: -35.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -321.557289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.557289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.557289 (E_RNA)
where:
Base-Base interactions energy: -123.223
where: short stacking energy: -86.575
Base-Backbone interact. energy: -1.015
local terms energy: -197.319306
where:
bonds (distance) C4'-P energy: -57.922
bonds (distance) P-C4' energy: -58.733
flat angles C4'-P-C4' energy: -48.357
flat angles P-C4'-P energy: -30.617
tors. eta vs tors. theta energy: -1.691
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: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -294.586356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.586356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.586356 (E_RNA)
where:
Base-Base interactions energy: -96.838
where: short stacking energy: -68.436
Base-Backbone interact. energy: 1.026
local terms energy: -198.774160
where:
bonds (distance) C4'-P energy: -56.924
bonds (distance) P-C4' energy: -69.888
flat angles C4'-P-C4' energy: -57.757
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: 4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -281.352226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.352226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.352226 (E_RNA)
where:
Base-Base interactions energy: -104.833
where: short stacking energy: -73.186
Base-Backbone interact. energy: -1.757
local terms energy: -174.761813
where:
bonds (distance) C4'-P energy: -57.632
bonds (distance) P-C4' energy: -64.592
flat angles C4'-P-C4' energy: -56.672
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: 19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -271.520812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.520812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.520812 (E_RNA)
where:
Base-Base interactions energy: -90.774
where: short stacking energy: -73.152
Base-Backbone interact. energy: -1.038
local terms energy: -179.707922
where:
bonds (distance) C4'-P energy: -48.266
bonds (distance) P-C4' energy: -60.866
flat angles C4'-P-C4' energy: -52.674
flat angles P-C4'-P energy: -31.300
tors. eta vs tors. theta energy: 13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1079.991951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.991951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.991951 (E_RNA)
where:
Base-Base interactions energy: -726.034
where: short stacking energy: -310.578
Base-Backbone interact. energy: -1.223
local terms energy: -352.735436
where:
bonds (distance) C4'-P energy: -53.986
bonds (distance) P-C4' energy: -67.997
flat angles C4'-P-C4' energy: -70.430
flat angles P-C4'-P energy: -53.014
tors. eta vs tors. theta energy: -107.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1048.586837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.586837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.586837 (E_RNA)
where:
Base-Base interactions energy: -693.161
where: short stacking energy: -302.622
Base-Backbone interact. energy: -1.023
local terms energy: -354.403567
where:
bonds (distance) C4'-P energy: -66.371
bonds (distance) P-C4' energy: -67.083
flat angles C4'-P-C4' energy: -77.460
flat angles P-C4'-P energy: -45.184
tors. eta vs tors. theta energy: -98.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1005.152537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.152537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.152537 (E_RNA)
where:
Base-Base interactions energy: -670.925
where: short stacking energy: -277.058
Base-Backbone interact. energy: 0.203
local terms energy: -334.430115
where:
bonds (distance) C4'-P energy: -54.425
bonds (distance) P-C4' energy: -66.958
flat angles C4'-P-C4' energy: -72.577
flat angles P-C4'-P energy: -51.931
tors. eta vs tors. theta energy: -88.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -856.335719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.335719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.335719 (E_RNA)
where:
Base-Base interactions energy: -571.637
where: short stacking energy: -227.235
Base-Backbone interact. energy: 2.078
local terms energy: -286.777180
where:
bonds (distance) C4'-P energy: -53.920
bonds (distance) P-C4' energy: -63.294
flat angles C4'-P-C4' energy: -64.337
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -61.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -776.770626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.770626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.770626 (E_RNA)
where:
Base-Base interactions energy: -492.676
where: short stacking energy: -234.556
Base-Backbone interact. energy: -0.807
local terms energy: -283.288362
where:
bonds (distance) C4'-P energy: -49.882
bonds (distance) P-C4' energy: -59.817
flat angles C4'-P-C4' energy: -65.906
flat angles P-C4'-P energy: -44.204
tors. eta vs tors. theta energy: -63.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -584.109114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.109114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.109114 (E_RNA)
where:
Base-Base interactions energy: -344.907
where: short stacking energy: -169.278
Base-Backbone interact. energy: -1.425
local terms energy: -237.777550
where:
bonds (distance) C4'-P energy: -62.741
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -59.140
flat angles P-C4'-P energy: -49.536
tors. eta vs tors. theta energy: -33.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -311.266666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.266666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.266666 (E_RNA)
where:
Base-Base interactions energy: -106.883
where: short stacking energy: -88.584
Base-Backbone interact. energy: -1.227
local terms energy: -203.156124
where:
bonds (distance) C4'-P energy: -48.444
bonds (distance) P-C4' energy: -62.332
flat angles C4'-P-C4' energy: -49.107
flat angles P-C4'-P energy: -37.953
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -319.213756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.213756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.213756 (E_RNA)
where:
Base-Base interactions energy: -126.390
where: short stacking energy: -90.595
Base-Backbone interact. energy: 1.208
local terms energy: -194.032244
where:
bonds (distance) C4'-P energy: -51.945
bonds (distance) P-C4' energy: -53.821
flat angles C4'-P-C4' energy: -46.117
flat angles P-C4'-P energy: -50.085
tors. eta vs tors. theta energy: 7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -276.654978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.654978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.654978 (E_RNA)
where:
Base-Base interactions energy: -94.507
where: short stacking energy: -71.288
Base-Backbone interact. energy: -1.632
local terms energy: -180.515383
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -67.645
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: 15.687
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: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -259.012557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.012557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.012557 (E_RNA)
where:
Base-Base interactions energy: -85.108
where: short stacking energy: -38.480
Base-Backbone interact. energy: -1.406
local terms energy: -172.498934
where:
bonds (distance) C4'-P energy: -64.265
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -47.703
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: 13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1030.414682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.414682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.414682 (E_RNA)
where:
Base-Base interactions energy: -678.195
where: short stacking energy: -293.746
Base-Backbone interact. energy: -0.069
local terms energy: -352.150699
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -73.184
flat angles C4'-P-C4' energy: -75.572
flat angles P-C4'-P energy: -53.342
tors. eta vs tors. theta energy: -99.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1053.417309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.417309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.417309 (E_RNA)
where:
Base-Base interactions energy: -688.550
where: short stacking energy: -289.569
Base-Backbone interact. energy: -0.109
local terms energy: -364.759155
where:
bonds (distance) C4'-P energy: -65.367
bonds (distance) P-C4' energy: -64.354
flat angles C4'-P-C4' energy: -76.475
flat angles P-C4'-P energy: -57.203
tors. eta vs tors. theta energy: -101.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -981.426505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.426505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.426505 (E_RNA)
where:
Base-Base interactions energy: -660.125
where: short stacking energy: -298.832
Base-Backbone interact. energy: -1.732
local terms energy: -319.569623
where:
bonds (distance) C4'-P energy: -49.736
bonds (distance) P-C4' energy: -64.202
flat angles C4'-P-C4' energy: -71.317
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -91.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -893.850690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.850690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.850690 (E_RNA)
where:
Base-Base interactions energy: -615.386
where: short stacking energy: -240.633
Base-Backbone interact. energy: -2.441
local terms energy: -276.023794
where:
bonds (distance) C4'-P energy: -60.969
bonds (distance) P-C4' energy: -57.061
flat angles C4'-P-C4' energy: -53.887
flat angles P-C4'-P energy: -41.814
tors. eta vs tors. theta energy: -62.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -729.965242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.965242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.965242 (E_RNA)
where:
Base-Base interactions energy: -444.969
where: short stacking energy: -211.851
Base-Backbone interact. energy: -1.258
local terms energy: -283.737886
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -66.345
flat angles C4'-P-C4' energy: -60.113
flat angles P-C4'-P energy: -47.274
tors. eta vs tors. theta energy: -56.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -639.093590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.093590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.093590 (E_RNA)
where:
Base-Base interactions energy: -391.831
where: short stacking energy: -187.805
Base-Backbone interact. energy: 3.150
local terms energy: -250.412075
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -67.048
flat angles C4'-P-C4' energy: -62.121
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -40.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -368.952934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.952934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.952934 (E_RNA)
where:
Base-Base interactions energy: -141.114
where: short stacking energy: -94.337
Base-Backbone interact. energy: -1.226
local terms energy: -226.612050
where:
bonds (distance) C4'-P energy: -56.950
bonds (distance) P-C4' energy: -74.733
flat angles C4'-P-C4' energy: -55.565
flat angles P-C4'-P energy: -31.530
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -339.729991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.729991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.729991 (E_RNA)
where:
Base-Base interactions energy: -147.560
where: short stacking energy: -93.990
Base-Backbone interact. energy: -0.166
local terms energy: -192.004049
where:
bonds (distance) C4'-P energy: -51.045
bonds (distance) P-C4' energy: -63.681
flat angles C4'-P-C4' energy: -50.863
flat angles P-C4'-P energy: -32.360
tors. eta vs tors. theta energy: 5.945
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: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -279.456792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.456792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.456792 (E_RNA)
where:
Base-Base interactions energy: -101.534
where: short stacking energy: -73.060
Base-Backbone interact. energy: 0.066
local terms energy: -177.988887
where:
bonds (distance) C4'-P energy: -50.103
bonds (distance) P-C4' energy: -60.328
flat angles C4'-P-C4' energy: -53.766
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: 6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -260.519581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.519581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.519581 (E_RNA)
where:
Base-Base interactions energy: -94.467
where: short stacking energy: -58.795
Base-Backbone interact. energy: 0.749
local terms energy: -166.801726
where:
bonds (distance) C4'-P energy: -59.392
bonds (distance) P-C4' energy: -52.574
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: 17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1101.902586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.902586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.902586 (E_RNA)
where:
Base-Base interactions energy: -723.663
where: short stacking energy: -322.175
Base-Backbone interact. energy: -1.850
local terms energy: -376.389384
where:
bonds (distance) C4'-P energy: -61.388
bonds (distance) P-C4' energy: -68.471
flat angles C4'-P-C4' energy: -81.092
flat angles P-C4'-P energy: -56.341
tors. eta vs tors. theta energy: -109.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1015.601913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.601913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.601913 (E_RNA)
where:
Base-Base interactions energy: -675.337
where: short stacking energy: -285.760
Base-Backbone interact. energy: -2.038
local terms energy: -338.226348
where:
bonds (distance) C4'-P energy: -55.595
bonds (distance) P-C4' energy: -62.386
flat angles C4'-P-C4' energy: -77.047
flat angles P-C4'-P energy: -44.149
tors. eta vs tors. theta energy: -99.049
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: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -951.178691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.178691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.178691 (E_RNA)
where:
Base-Base interactions energy: -622.661
where: short stacking energy: -251.092
Base-Backbone interact. energy: -2.391
local terms energy: -326.127092
where:
bonds (distance) C4'-P energy: -60.333
bonds (distance) P-C4' energy: -66.417
flat angles C4'-P-C4' energy: -74.271
flat angles P-C4'-P energy: -51.091
tors. eta vs tors. theta energy: -74.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -897.449242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.449242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.449242 (E_RNA)
where:
Base-Base interactions energy: -606.381
where: short stacking energy: -249.523
Base-Backbone interact. energy: 0.223
local terms energy: -291.291961
where:
bonds (distance) C4'-P energy: -63.938
bonds (distance) P-C4' energy: -66.603
flat angles C4'-P-C4' energy: -66.231
flat angles P-C4'-P energy: -33.781
tors. eta vs tors. theta energy: -60.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -781.881752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.881752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.881752 (E_RNA)
where:
Base-Base interactions energy: -478.761
where: short stacking energy: -222.526
Base-Backbone interact. energy: -0.176
local terms energy: -302.945385
where:
bonds (distance) C4'-P energy: -61.323
bonds (distance) P-C4' energy: -65.691
flat angles C4'-P-C4' energy: -64.719
flat angles P-C4'-P energy: -42.373
tors. eta vs tors. theta energy: -68.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -682.091871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.091871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.091871 (E_RNA)
where:
Base-Base interactions energy: -414.640
where: short stacking energy: -180.667
Base-Backbone interact. energy: -2.915
local terms energy: -264.536752
where:
bonds (distance) C4'-P energy: -65.790
bonds (distance) P-C4' energy: -63.661
flat angles C4'-P-C4' energy: -57.300
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -43.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -346.284833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.284833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.284833 (E_RNA)
where:
Base-Base interactions energy: -131.107
where: short stacking energy: -91.810
Base-Backbone interact. energy: -1.472
local terms energy: -213.705237
where:
bonds (distance) C4'-P energy: -54.566
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -56.350
flat angles P-C4'-P energy: -41.281
tors. eta vs tors. theta energy: 3.549
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: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -314.103337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.103337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.103337 (E_RNA)
where:
Base-Base interactions energy: -125.001
where: short stacking energy: -83.003
Base-Backbone interact. energy: -1.656
local terms energy: -187.446671
where:
bonds (distance) C4'-P energy: -60.627
bonds (distance) P-C4' energy: -67.642
flat angles C4'-P-C4' energy: -30.743
flat angles P-C4'-P energy: -35.051
tors. eta vs tors. theta energy: 6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -276.476229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.476229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.476229 (E_RNA)
where:
Base-Base interactions energy: -82.909
where: short stacking energy: -60.571
Base-Backbone interact. energy: -1.738
local terms energy: -191.829443
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -68.240
flat angles C4'-P-C4' energy: -56.805
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: 7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -245.226732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.226732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.226732 (E_RNA)
where:
Base-Base interactions energy: -63.130
where: short stacking energy: -33.498
Base-Backbone interact. energy: 1.054
local terms energy: -183.150548
where:
bonds (distance) C4'-P energy: -54.564
bonds (distance) P-C4' energy: -61.118
flat angles C4'-P-C4' energy: -53.468
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: 21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1067.150005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.150005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.150005 (E_RNA)
where:
Base-Base interactions energy: -702.438
where: short stacking energy: -322.833
Base-Backbone interact. energy: -0.691
local terms energy: -364.021930
where:
bonds (distance) C4'-P energy: -62.041
bonds (distance) P-C4' energy: -68.553
flat angles C4'-P-C4' energy: -69.491
flat angles P-C4'-P energy: -58.509
tors. eta vs tors. theta energy: -105.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1010.430142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.430142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.430142 (E_RNA)
where:
Base-Base interactions energy: -672.029
where: short stacking energy: -275.133
Base-Backbone interact. energy: -1.825
local terms energy: -336.576684
where:
bonds (distance) C4'-P energy: -65.696
bonds (distance) P-C4' energy: -62.021
flat angles C4'-P-C4' energy: -71.921
flat angles P-C4'-P energy: -45.258
tors. eta vs tors. theta energy: -91.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -968.602415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.602415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.602415 (E_RNA)
where:
Base-Base interactions energy: -661.860
where: short stacking energy: -274.284
Base-Backbone interact. energy: -1.592
local terms energy: -305.149772
where:
bonds (distance) C4'-P energy: -59.312
bonds (distance) P-C4' energy: -55.129
flat angles C4'-P-C4' energy: -66.315
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -86.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -894.384549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.384549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.384549 (E_RNA)
where:
Base-Base interactions energy: -592.047
where: short stacking energy: -249.391
Base-Backbone interact. energy: 0.618
local terms energy: -302.954767
where:
bonds (distance) C4'-P energy: -50.609
bonds (distance) P-C4' energy: -70.573
flat angles C4'-P-C4' energy: -66.388
flat angles P-C4'-P energy: -45.286
tors. eta vs tors. theta energy: -70.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -825.555017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.555017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.555017 (E_RNA)
where:
Base-Base interactions energy: -512.686
where: short stacking energy: -225.473
Base-Backbone interact. energy: -1.191
local terms energy: -311.677643
where:
bonds (distance) C4'-P energy: -68.876
bonds (distance) P-C4' energy: -58.987
flat angles C4'-P-C4' energy: -68.584
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -69.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -656.161333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.161333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.161333 (E_RNA)
where:
Base-Base interactions energy: -398.577
where: short stacking energy: -164.677
Base-Backbone interact. energy: 1.269
local terms energy: -258.853423
where:
bonds (distance) C4'-P energy: -60.560
bonds (distance) P-C4' energy: -62.964
flat angles C4'-P-C4' energy: -64.023
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: -39.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -413.157056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.157056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.157056 (E_RNA)
where:
Base-Base interactions energy: -178.721
where: short stacking energy: -97.415
Base-Backbone interact. energy: -0.466
local terms energy: -233.969458
where:
bonds (distance) C4'-P energy: -64.558
bonds (distance) P-C4' energy: -59.049
flat angles C4'-P-C4' energy: -54.701
flat angles P-C4'-P energy: -49.192
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -302.675151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.675151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.675151 (E_RNA)
where:
Base-Base interactions energy: -120.632
where: short stacking energy: -81.436
Base-Backbone interact. energy: 3.676
local terms energy: -185.719135
where:
bonds (distance) C4'-P energy: -68.290
bonds (distance) P-C4' energy: -54.691
flat angles C4'-P-C4' energy: -43.494
flat angles P-C4'-P energy: -32.246
tors. eta vs tors. theta energy: 13.000
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: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -273.967265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.967265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.967265 (E_RNA)
where:
Base-Base interactions energy: -99.643
where: short stacking energy: -84.350
Base-Backbone interact. energy: 1.197
local terms energy: -175.520978
where:
bonds (distance) C4'-P energy: -57.066
bonds (distance) P-C4' energy: -60.889
flat angles C4'-P-C4' energy: -43.919
flat angles P-C4'-P energy: -28.603
tors. eta vs tors. theta energy: 14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -268.882495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.882495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.882495 (E_RNA)
where:
Base-Base interactions energy: -79.185
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.409
local terms energy: -189.288834
where:
bonds (distance) C4'-P energy: -64.827
bonds (distance) P-C4' energy: -71.659
flat angles C4'-P-C4' energy: -49.519
flat angles P-C4'-P energy: -28.238
tors. eta vs tors. theta energy: 24.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1081.872188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.872188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.872188 (E_RNA)
where:
Base-Base interactions energy: -698.574
where: short stacking energy: -299.514
Base-Backbone interact. energy: -0.214
local terms energy: -383.083549
where:
bonds (distance) C4'-P energy: -75.510
bonds (distance) P-C4' energy: -73.579
flat angles C4'-P-C4' energy: -71.972
flat angles P-C4'-P energy: -60.945
tors. eta vs tors. theta energy: -101.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1035.397331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.397331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.397331 (E_RNA)
where:
Base-Base interactions energy: -680.296
where: short stacking energy: -271.842
Base-Backbone interact. energy: -0.794
local terms energy: -354.307131
where:
bonds (distance) C4'-P energy: -71.420
bonds (distance) P-C4' energy: -67.303
flat angles C4'-P-C4' energy: -80.068
flat angles P-C4'-P energy: -44.640
tors. eta vs tors. theta energy: -90.876
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: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -959.673093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.673093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.673093 (E_RNA)
where:
Base-Base interactions energy: -628.969
where: short stacking energy: -261.972
Base-Backbone interact. energy: 1.713
local terms energy: -332.720599
where:
bonds (distance) C4'-P energy: -65.386
bonds (distance) P-C4' energy: -76.457
flat angles C4'-P-C4' energy: -71.005
flat angles P-C4'-P energy: -38.765
tors. eta vs tors. theta energy: -81.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.303 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -894.674649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.674649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.674649 (E_RNA)
where:
Base-Base interactions energy: -583.263
where: short stacking energy: -247.337
Base-Backbone interact. energy: 4.976
local terms energy: -316.388281
where:
bonds (distance) C4'-P energy: -51.344
bonds (distance) P-C4' energy: -76.982
flat angles C4'-P-C4' energy: -74.606
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: -77.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -788.767979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.767979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.767979 (E_RNA)
where:
Base-Base interactions energy: -499.208
where: short stacking energy: -209.832
Base-Backbone interact. energy: 1.630
local terms energy: -291.189271
where:
bonds (distance) C4'-P energy: -71.281
bonds (distance) P-C4' energy: -65.790
flat angles C4'-P-C4' energy: -54.799
flat angles P-C4'-P energy: -43.668
tors. eta vs tors. theta energy: -55.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -629.598588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.598588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.598588 (E_RNA)
where:
Base-Base interactions energy: -383.695
where: short stacking energy: -187.251
Base-Backbone interact. energy: -1.271
local terms energy: -244.632683
where:
bonds (distance) C4'-P energy: -60.315
bonds (distance) P-C4' energy: -56.128
flat angles C4'-P-C4' energy: -43.681
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -44.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -318.756074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.756074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.756074 (E_RNA)
where:
Base-Base interactions energy: -112.689
where: short stacking energy: -78.115
Base-Backbone interact. energy: -1.155
local terms energy: -204.912017
where:
bonds (distance) C4'-P energy: -67.941
bonds (distance) P-C4' energy: -60.548
flat angles C4'-P-C4' energy: -53.421
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: 8.782
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: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -325.715065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.715065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.715065 (E_RNA)
where:
Base-Base interactions energy: -115.226
where: short stacking energy: -95.814
Base-Backbone interact. energy: 3.592
local terms energy: -214.080574
where:
bonds (distance) C4'-P energy: -58.084
bonds (distance) P-C4' energy: -66.556
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -284.702583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.702583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.702583 (E_RNA)
where:
Base-Base interactions energy: -104.977
where: short stacking energy: -50.889
Base-Backbone interact. energy: -1.426
local terms energy: -178.299899
where:
bonds (distance) C4'-P energy: -63.135
bonds (distance) P-C4' energy: -48.523
flat angles C4'-P-C4' energy: -48.637
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: 4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -270.076303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.076303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.076303 (E_RNA)
where:
Base-Base interactions energy: -95.471
where: short stacking energy: -70.724
Base-Backbone interact. energy: -1.839
local terms energy: -172.766294
where:
bonds (distance) C4'-P energy: -52.062
bonds (distance) P-C4' energy: -54.688
flat angles C4'-P-C4' energy: -45.425
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1070.045910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.045910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.045910 (E_RNA)
where:
Base-Base interactions energy: -690.818
where: short stacking energy: -315.947
Base-Backbone interact. energy: 0.558
local terms energy: -379.785643
where:
bonds (distance) C4'-P energy: -74.124
bonds (distance) P-C4' energy: -69.204
flat angles C4'-P-C4' energy: -78.653
flat angles P-C4'-P energy: -49.333
tors. eta vs tors. theta energy: -108.471
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: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1048.796716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.796716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.796716 (E_RNA)
where:
Base-Base interactions energy: -685.931
where: short stacking energy: -288.823
Base-Backbone interact. energy: -1.056
local terms energy: -361.810449
where:
bonds (distance) C4'-P energy: -77.627
bonds (distance) P-C4' energy: -63.866
flat angles C4'-P-C4' energy: -66.921
flat angles P-C4'-P energy: -53.432
tors. eta vs tors. theta energy: -99.966
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: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1000.897097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.897097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.897097 (E_RNA)
where:
Base-Base interactions energy: -696.590
where: short stacking energy: -299.330
Base-Backbone interact. energy: -0.974
local terms energy: -303.333438
where:
bonds (distance) C4'-P energy: -58.326
bonds (distance) P-C4' energy: -54.775
flat angles C4'-P-C4' energy: -65.154
flat angles P-C4'-P energy: -42.646
tors. eta vs tors. theta energy: -82.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -875.363176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.363176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.363176 (E_RNA)
where:
Base-Base interactions energy: -594.226
where: short stacking energy: -234.039
Base-Backbone interact. energy: -1.032
local terms energy: -280.104807
where:
bonds (distance) C4'-P energy: -51.848
bonds (distance) P-C4' energy: -56.661
flat angles C4'-P-C4' energy: -65.798
flat angles P-C4'-P energy: -35.095
tors. eta vs tors. theta energy: -70.702
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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -808.611759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.611759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.611759 (E_RNA)
where:
Base-Base interactions energy: -516.349
where: short stacking energy: -235.751
Base-Backbone interact. energy: 1.644
local terms energy: -293.906598
where:
bonds (distance) C4'-P energy: -63.113
bonds (distance) P-C4' energy: -65.323
flat angles C4'-P-C4' energy: -66.633
flat angles P-C4'-P energy: -36.891
tors. eta vs tors. theta energy: -61.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -637.163431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.163431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.163431 (E_RNA)
where:
Base-Base interactions energy: -380.425
where: short stacking energy: -179.056
Base-Backbone interact. energy: 1.284
local terms energy: -258.022577
where:
bonds (distance) C4'-P energy: -50.489
bonds (distance) P-C4' energy: -58.075
flat angles C4'-P-C4' energy: -68.699
flat angles P-C4'-P energy: -40.787
tors. eta vs tors. theta energy: -39.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -360.759913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.759913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.759913 (E_RNA)
where:
Base-Base interactions energy: -154.245
where: short stacking energy: -92.144
Base-Backbone interact. energy: 0.756
local terms energy: -207.271033
where:
bonds (distance) C4'-P energy: -56.570
bonds (distance) P-C4' energy: -65.790
flat angles C4'-P-C4' energy: -52.090
flat angles P-C4'-P energy: -36.915
tors. eta vs tors. theta energy: 4.094
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: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -338.882336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.882336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.882336 (E_RNA)
where:
Base-Base interactions energy: -122.689
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.844
local terms energy: -215.349795
where:
bonds (distance) C4'-P energy: -74.320
bonds (distance) P-C4' energy: -64.357
flat angles C4'-P-C4' energy: -59.348
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: 13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -300.627302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.627302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.627302 (E_RNA)
where:
Base-Base interactions energy: -97.758
where: short stacking energy: -67.606
Base-Backbone interact. energy: 0.037
local terms energy: -202.906977
where:
bonds (distance) C4'-P energy: -63.510
bonds (distance) P-C4' energy: -60.642
flat angles C4'-P-C4' energy: -60.168
flat angles P-C4'-P energy: -26.996
tors. eta vs tors. theta energy: 8.409
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: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -251.139582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.139582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.139582 (E_RNA)
where:
Base-Base interactions energy: -83.275
where: short stacking energy: -64.240
Base-Backbone interact. energy: -1.492
local terms energy: -166.372115
where:
bonds (distance) C4'-P energy: -50.477
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -60.007
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: 11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1068.603551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.603551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.603551 (E_RNA)
where:
Base-Base interactions energy: -697.216
where: short stacking energy: -317.170
Base-Backbone interact. energy: -0.088
local terms energy: -371.299586
where:
bonds (distance) C4'-P energy: -68.630
bonds (distance) P-C4' energy: -68.362
flat angles C4'-P-C4' energy: -76.526
flat angles P-C4'-P energy: -47.185
tors. eta vs tors. theta energy: -110.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1048.807410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.807410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.807410 (E_RNA)
where:
Base-Base interactions energy: -709.626
where: short stacking energy: -298.612
Base-Backbone interact. energy: -1.794
local terms energy: -337.387475
where:
bonds (distance) C4'-P energy: -63.431
bonds (distance) P-C4' energy: -58.534
flat angles C4'-P-C4' energy: -68.205
flat angles P-C4'-P energy: -46.243
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: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1000.524908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.524908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.524908 (E_RNA)
where:
Base-Base interactions energy: -684.897
where: short stacking energy: -266.959
Base-Backbone interact. energy: -1.505
local terms energy: -314.123232
where:
bonds (distance) C4'-P energy: -58.506
bonds (distance) P-C4' energy: -61.797
flat angles C4'-P-C4' energy: -65.141
flat angles P-C4'-P energy: -52.047
tors. eta vs tors. theta energy: -76.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -898.044361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.044361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.044361 (E_RNA)
where:
Base-Base interactions energy: -586.316
where: short stacking energy: -226.223
Base-Backbone interact. energy: -1.955
local terms energy: -309.772944
where:
bonds (distance) C4'-P energy: -71.073
bonds (distance) P-C4' energy: -70.502
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -72.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -845.936339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.936339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.936339 (E_RNA)
where:
Base-Base interactions energy: -552.529
where: short stacking energy: -235.179
Base-Backbone interact. energy: 0.429
local terms energy: -294.543166
where:
bonds (distance) C4'-P energy: -68.048
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -70.711
flat angles P-C4'-P energy: -45.978
tors. eta vs tors. theta energy: -59.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.706 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -641.633729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.633729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.633729 (E_RNA)
where:
Base-Base interactions energy: -375.255
where: short stacking energy: -165.590
Base-Backbone interact. energy: -0.897
local terms energy: -265.481930
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -62.821
flat angles C4'-P-C4' energy: -62.582
flat angles P-C4'-P energy: -43.134
tors. eta vs tors. theta energy: -42.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -368.508352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.508352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.508352 (E_RNA)
where:
Base-Base interactions energy: -163.721
where: short stacking energy: -101.623
Base-Backbone interact. energy: 11.664
local terms energy: -216.450541
where:
bonds (distance) C4'-P energy: -58.711
bonds (distance) P-C4' energy: -67.231
flat angles C4'-P-C4' energy: -48.886
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -8.153
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: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -283.579259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.579259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.579259 (E_RNA)
where:
Base-Base interactions energy: -95.251
where: short stacking energy: -74.527
Base-Backbone interact. energy: 0.461
local terms energy: -188.789587
where:
bonds (distance) C4'-P energy: -63.409
bonds (distance) P-C4' energy: -60.406
flat angles C4'-P-C4' energy: -54.523
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: 15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -269.144216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.144216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.144216 (E_RNA)
where:
Base-Base interactions energy: -86.675
where: short stacking energy: -62.388
Base-Backbone interact. energy: -2.475
local terms energy: -179.993788
where:
bonds (distance) C4'-P energy: -51.904
bonds (distance) P-C4' energy: -67.476
flat angles C4'-P-C4' energy: -57.291
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: 20.820
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: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -296.344278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.344278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.344278 (E_RNA)
where:
Base-Base interactions energy: -116.425
where: short stacking energy: -83.571
Base-Backbone interact. energy: -2.391
local terms energy: -177.528151
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -58.680
flat angles C4'-P-C4' energy: -50.853
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: 9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1068.253259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.253259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.253259 (E_RNA)
where:
Base-Base interactions energy: -696.946
where: short stacking energy: -310.751
Base-Backbone interact. energy: -1.845
local terms energy: -369.462022
where:
bonds (distance) C4'-P energy: -64.643
bonds (distance) P-C4' energy: -68.573
flat angles C4'-P-C4' energy: -75.873
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -107.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1036.688345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.688345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.688345 (E_RNA)
where:
Base-Base interactions energy: -703.312
where: short stacking energy: -298.882
Base-Backbone interact. energy: -0.932
local terms energy: -332.444439
where:
bonds (distance) C4'-P energy: -59.952
bonds (distance) P-C4' energy: -62.457
flat angles C4'-P-C4' energy: -69.038
flat angles P-C4'-P energy: -37.635
tors. eta vs tors. theta energy: -103.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -989.881933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.881933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.881933 (E_RNA)
where:
Base-Base interactions energy: -667.884
where: short stacking energy: -273.737
Base-Backbone interact. energy: -1.391
local terms energy: -320.606985
where:
bonds (distance) C4'-P energy: -63.491
bonds (distance) P-C4' energy: -50.875
flat angles C4'-P-C4' energy: -70.001
flat angles P-C4'-P energy: -46.192
tors. eta vs tors. theta energy: -90.049
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: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -905.935683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.935683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.935683 (E_RNA)
where:
Base-Base interactions energy: -628.711
where: short stacking energy: -230.629
Base-Backbone interact. energy: -2.572
local terms energy: -274.652887
where:
bonds (distance) C4'-P energy: -59.209
bonds (distance) P-C4' energy: -59.687
flat angles C4'-P-C4' energy: -57.206
flat angles P-C4'-P energy: -32.947
tors. eta vs tors. theta energy: -65.604
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: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -847.593757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.593757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.593757 (E_RNA)
where:
Base-Base interactions energy: -543.901
where: short stacking energy: -236.150
Base-Backbone interact. energy: -1.860
local terms energy: -301.833172
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -74.035
flat angles P-C4'-P energy: -48.403
tors. eta vs tors. theta energy: -73.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -613.753725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.753725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.753725 (E_RNA)
where:
Base-Base interactions energy: -355.001
where: short stacking energy: -168.822
Base-Backbone interact. energy: -1.880
local terms energy: -256.873002
where:
bonds (distance) C4'-P energy: -57.176
bonds (distance) P-C4' energy: -75.199
flat angles C4'-P-C4' energy: -59.091
flat angles P-C4'-P energy: -26.950
tors. eta vs tors. theta energy: -38.458
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: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -364.356338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.356338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.356338 (E_RNA)
where:
Base-Base interactions energy: -154.330
where: short stacking energy: -91.859
Base-Backbone interact. energy: -1.976
local terms energy: -208.050906
where:
bonds (distance) C4'-P energy: -54.006
bonds (distance) P-C4' energy: -54.497
flat angles C4'-P-C4' energy: -52.189
flat angles P-C4'-P energy: -35.783
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -295.925355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.925355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.925355 (E_RNA)
where:
Base-Base interactions energy: -85.192
where: short stacking energy: -74.564
Base-Backbone interact. energy: 1.995
local terms energy: -212.728110
where:
bonds (distance) C4'-P energy: -59.356
bonds (distance) P-C4' energy: -61.022
flat angles C4'-P-C4' energy: -54.087
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: 1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -299.162159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.162159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.162159 (E_RNA)
where:
Base-Base interactions energy: -107.405
where: short stacking energy: -98.349
Base-Backbone interact. energy: -1.899
local terms energy: -189.858228
where:
bonds (distance) C4'-P energy: -61.345
bonds (distance) P-C4' energy: -62.213
flat angles C4'-P-C4' energy: -38.889
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -255.235860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.235860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.235860 (E_RNA)
where:
Base-Base interactions energy: -74.877
where: short stacking energy: -63.757
Base-Backbone interact. energy: 5.447
local terms energy: -185.806287
where:
bonds (distance) C4'-P energy: -63.526
bonds (distance) P-C4' energy: -63.939
flat angles C4'-P-C4' energy: -40.187
flat angles P-C4'-P energy: -29.291
tors. eta vs tors. theta energy: 11.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1068.774749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.774749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.774749 (E_RNA)
where:
Base-Base interactions energy: -700.550
where: short stacking energy: -304.195
Base-Backbone interact. energy: -0.299
local terms energy: -367.925276
where:
bonds (distance) C4'-P energy: -73.441
bonds (distance) P-C4' energy: -67.432
flat angles C4'-P-C4' energy: -72.675
flat angles P-C4'-P energy: -49.773
tors. eta vs tors. theta energy: -104.605
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: 156
Temperature: 0.950000
Total energy: -1053.662411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.662411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.662411 (E_RNA)
where:
Base-Base interactions energy: -706.879
where: short stacking energy: -291.778
Base-Backbone interact. energy: -2.526
local terms energy: -344.787518
where:
bonds (distance) C4'-P energy: -59.845
bonds (distance) P-C4' energy: -64.854
flat angles C4'-P-C4' energy: -74.930
flat angles P-C4'-P energy: -46.515
tors. eta vs tors. theta energy: -98.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.529 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -988.971116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.971116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.971116 (E_RNA)
where:
Base-Base interactions energy: -661.524
where: short stacking energy: -263.292
Base-Backbone interact. energy: -2.278
local terms energy: -325.169207
where:
bonds (distance) C4'-P energy: -71.643
bonds (distance) P-C4' energy: -63.515
flat angles C4'-P-C4' energy: -68.977
flat angles P-C4'-P energy: -37.304
tors. eta vs tors. theta energy: -83.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -892.508880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.508880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.508880 (E_RNA)
where:
Base-Base interactions energy: -617.219
where: short stacking energy: -259.543
Base-Backbone interact. energy: 0.538
local terms energy: -275.827890
where:
bonds (distance) C4'-P energy: -58.397
bonds (distance) P-C4' energy: -53.894
flat angles C4'-P-C4' energy: -68.117
flat angles P-C4'-P energy: -32.835
tors. eta vs tors. theta energy: -62.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -815.910922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.910922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.910922 (E_RNA)
where:
Base-Base interactions energy: -505.149
where: short stacking energy: -222.354
Base-Backbone interact. energy: -0.920
local terms energy: -309.842114
where:
bonds (distance) C4'-P energy: -61.545
bonds (distance) P-C4' energy: -66.866
flat angles C4'-P-C4' energy: -64.475
flat angles P-C4'-P energy: -49.833
tors. eta vs tors. theta energy: -67.123
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: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -680.997384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.997384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.997384 (E_RNA)
where:
Base-Base interactions energy: -396.368
where: short stacking energy: -190.092
Base-Backbone interact. energy: -1.498
local terms energy: -283.131689
where:
bonds (distance) C4'-P energy: -63.937
bonds (distance) P-C4' energy: -72.513
flat angles C4'-P-C4' energy: -68.095
flat angles P-C4'-P energy: -40.031
tors. eta vs tors. theta energy: -38.555
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: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -364.314926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.314926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.314926 (E_RNA)
where:
Base-Base interactions energy: -144.602
where: short stacking energy: -103.417
Base-Backbone interact. energy: -0.215
local terms energy: -219.497751
where:
bonds (distance) C4'-P energy: -67.913
bonds (distance) P-C4' energy: -54.583
flat angles C4'-P-C4' energy: -57.163
flat angles P-C4'-P energy: -40.267
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -330.075959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.075959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.075959 (E_RNA)
where:
Base-Base interactions energy: -129.639
where: short stacking energy: -74.392
Base-Backbone interact. energy: 1.967
local terms energy: -202.403570
where:
bonds (distance) C4'-P energy: -60.456
bonds (distance) P-C4' energy: -57.971
flat angles C4'-P-C4' energy: -48.446
flat angles P-C4'-P energy: -40.767
tors. eta vs tors. theta energy: 5.237
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: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -284.811043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.811043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.811043 (E_RNA)
where:
Base-Base interactions energy: -84.901
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.011
local terms energy: -199.899049
where:
bonds (distance) C4'-P energy: -59.733
bonds (distance) P-C4' energy: -65.409
flat angles C4'-P-C4' energy: -42.525
flat angles P-C4'-P energy: -35.861
tors. eta vs tors. theta energy: 3.629
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: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -253.355708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.355708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.355708 (E_RNA)
where:
Base-Base interactions energy: -76.824
where: short stacking energy: -61.173
Base-Backbone interact. energy: -1.627
local terms energy: -174.904483
where:
bonds (distance) C4'-P energy: -57.275
bonds (distance) P-C4' energy: -55.284
flat angles C4'-P-C4' energy: -57.313
flat angles P-C4'-P energy: -32.493
tors. eta vs tors. theta energy: 27.461
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: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1086.036134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.036134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.036134 (E_RNA)
where:
Base-Base interactions energy: -730.850
where: short stacking energy: -318.506
Base-Backbone interact. energy: -0.146
local terms energy: -355.039435
where:
bonds (distance) C4'-P energy: -58.253
bonds (distance) P-C4' energy: -71.268
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -50.340
tors. eta vs tors. theta energy: -112.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1048.227033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.227033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.227033 (E_RNA)
where:
Base-Base interactions energy: -702.882
where: short stacking energy: -301.255
Base-Backbone interact. energy: 4.920
local terms energy: -350.264856
where:
bonds (distance) C4'-P energy: -57.915
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -71.038
flat angles P-C4'-P energy: -44.950
tors. eta vs tors. theta energy: -110.501
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: 157
Temperature: 1.000000
Total energy: -1004.061783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.061783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.061783 (E_RNA)
where:
Base-Base interactions energy: -676.902
where: short stacking energy: -303.997
Base-Backbone interact. energy: -1.033
local terms energy: -326.127732
where:
bonds (distance) C4'-P energy: -58.230
bonds (distance) P-C4' energy: -61.272
flat angles C4'-P-C4' energy: -73.909
flat angles P-C4'-P energy: -41.530
tors. eta vs tors. theta energy: -91.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -874.219023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.219023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.219023 (E_RNA)
where:
Base-Base interactions energy: -583.996
where: short stacking energy: -237.087
Base-Backbone interact. energy: -0.477
local terms energy: -289.745325
where:
bonds (distance) C4'-P energy: -56.974
bonds (distance) P-C4' energy: -64.215
flat angles C4'-P-C4' energy: -66.602
flat angles P-C4'-P energy: -41.468
tors. eta vs tors. theta energy: -60.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -811.504834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.504834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.504834 (E_RNA)
where:
Base-Base interactions energy: -501.083
where: short stacking energy: -243.288
Base-Backbone interact. energy: 0.670
local terms energy: -311.091976
where:
bonds (distance) C4'-P energy: -55.382
bonds (distance) P-C4' energy: -58.437
flat angles C4'-P-C4' energy: -64.166
flat angles P-C4'-P energy: -55.086
tors. eta vs tors. theta energy: -78.021
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: 157
Temperature: 1.150000
Total energy: -657.906044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.906044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.906044 (E_RNA)
where:
Base-Base interactions energy: -389.259
where: short stacking energy: -174.972
Base-Backbone interact. energy: -0.098
local terms energy: -268.549558
where:
bonds (distance) C4'-P energy: -59.669
bonds (distance) P-C4' energy: -66.195
flat angles C4'-P-C4' energy: -68.230
flat angles P-C4'-P energy: -35.327
tors. eta vs tors. theta energy: -39.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -349.073989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.073989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.073989 (E_RNA)
where:
Base-Base interactions energy: -152.490
where: short stacking energy: -96.468
Base-Backbone interact. energy: 0.773
local terms energy: -197.356211
where:
bonds (distance) C4'-P energy: -47.913
bonds (distance) P-C4' energy: -55.425
flat angles C4'-P-C4' energy: -54.173
flat angles P-C4'-P energy: -30.294
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -335.650793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.650793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.650793 (E_RNA)
where:
Base-Base interactions energy: -139.530
where: short stacking energy: -97.848
Base-Backbone interact. energy: 0.881
local terms energy: -197.002283
where:
bonds (distance) C4'-P energy: -56.996
bonds (distance) P-C4' energy: -58.451
flat angles C4'-P-C4' energy: -45.978
flat angles P-C4'-P energy: -30.514
tors. eta vs tors. theta energy: -5.062
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: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -287.521239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.521239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.521239 (E_RNA)
where:
Base-Base interactions energy: -81.100
where: short stacking energy: -62.863
Base-Backbone interact. energy: -0.949
local terms energy: -205.472832
where:
bonds (distance) C4'-P energy: -57.435
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -62.070
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -252.921459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.921459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.921459 (E_RNA)
where:
Base-Base interactions energy: -82.581
where: short stacking energy: -59.239
Base-Backbone interact. energy: -1.050
local terms energy: -169.291358
where:
bonds (distance) C4'-P energy: -48.415
bonds (distance) P-C4' energy: -57.655
flat angles C4'-P-C4' energy: -47.353
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: 12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1078.645281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.645281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.645281 (E_RNA)
where:
Base-Base interactions energy: -702.802
where: short stacking energy: -329.059
Base-Backbone interact. energy: -0.845
local terms energy: -374.997897
where:
bonds (distance) C4'-P energy: -73.521
bonds (distance) P-C4' energy: -62.155
flat angles C4'-P-C4' energy: -79.857
flat angles P-C4'-P energy: -53.671
tors. eta vs tors. theta energy: -105.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1048.450027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.450027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.450027 (E_RNA)
where:
Base-Base interactions energy: -715.938
where: short stacking energy: -310.398
Base-Backbone interact. energy: -0.074
local terms energy: -332.438460
where:
bonds (distance) C4'-P energy: -55.204
bonds (distance) P-C4' energy: -63.233
flat angles C4'-P-C4' energy: -73.541
flat angles P-C4'-P energy: -49.789
tors. eta vs tors. theta energy: -90.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1017.959751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.959751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.959751 (E_RNA)
where:
Base-Base interactions energy: -667.066
where: short stacking energy: -269.148
Base-Backbone interact. energy: -0.124
local terms energy: -350.769185
where:
bonds (distance) C4'-P energy: -61.194
bonds (distance) P-C4' energy: -71.728
flat angles C4'-P-C4' energy: -71.244
flat angles P-C4'-P energy: -53.142
tors. eta vs tors. theta energy: -93.460
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: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -915.045210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.045210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.045210 (E_RNA)
where:
Base-Base interactions energy: -609.035
where: short stacking energy: -226.682
Base-Backbone interact. energy: -0.650
local terms energy: -305.359498
where:
bonds (distance) C4'-P energy: -65.626
bonds (distance) P-C4' energy: -61.412
flat angles C4'-P-C4' energy: -66.865
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: -60.410
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: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -827.375114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.375114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.375114 (E_RNA)
where:
Base-Base interactions energy: -530.635
where: short stacking energy: -254.791
Base-Backbone interact. energy: -2.960
local terms energy: -293.779905
where:
bonds (distance) C4'-P energy: -58.938
bonds (distance) P-C4' energy: -57.342
flat angles C4'-P-C4' energy: -60.616
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -71.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -645.271798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.271798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.271798 (E_RNA)
where:
Base-Base interactions energy: -386.737
where: short stacking energy: -156.669
Base-Backbone interact. energy: -2.173
local terms energy: -256.361108
where:
bonds (distance) C4'-P energy: -61.017
bonds (distance) P-C4' energy: -54.786
flat angles C4'-P-C4' energy: -60.389
flat angles P-C4'-P energy: -38.879
tors. eta vs tors. theta energy: -41.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -475.303860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.303860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.303860 (E_RNA)
where:
Base-Base interactions energy: -231.346
where: short stacking energy: -123.043
Base-Backbone interact. energy: -2.163
local terms energy: -241.794812
where:
bonds (distance) C4'-P energy: -62.047
bonds (distance) P-C4' energy: -68.143
flat angles C4'-P-C4' energy: -46.809
flat angles P-C4'-P energy: -52.872
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -323.791549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.791549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.791549 (E_RNA)
where:
Base-Base interactions energy: -118.443
where: short stacking energy: -65.936
Base-Backbone interact. energy: 5.931
local terms energy: -211.279542
where:
bonds (distance) C4'-P energy: -61.414
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -57.926
flat angles P-C4'-P energy: -32.741
tors. eta vs tors. theta energy: 6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -266.841596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.841596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.841596 (E_RNA)
where:
Base-Base interactions energy: -92.753
where: short stacking energy: -78.253
Base-Backbone interact. energy: 7.741
local terms energy: -181.829829
where:
bonds (distance) C4'-P energy: -49.995
bonds (distance) P-C4' energy: -49.625
flat angles C4'-P-C4' energy: -48.838
flat angles P-C4'-P energy: -42.103
tors. eta vs tors. theta energy: 8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -273.717639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.717639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.717639 (E_RNA)
where:
Base-Base interactions energy: -109.778
where: short stacking energy: -71.066
Base-Backbone interact. energy: 2.738
local terms energy: -166.677924
where:
bonds (distance) C4'-P energy: -46.796
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -51.522
flat angles P-C4'-P energy: -29.566
tors. eta vs tors. theta energy: 10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1096.586497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.586497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.586497 (E_RNA)
where:
Base-Base interactions energy: -717.480
where: short stacking energy: -313.498
Base-Backbone interact. energy: -0.065
local terms energy: -379.041342
where:
bonds (distance) C4'-P energy: -71.510
bonds (distance) P-C4' energy: -72.653
flat angles C4'-P-C4' energy: -70.675
flat angles P-C4'-P energy: -52.681
tors. eta vs tors. theta energy: -111.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1039.445960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.445960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.445960 (E_RNA)
where:
Base-Base interactions energy: -691.178
where: short stacking energy: -284.445
Base-Backbone interact. energy: -1.005
local terms energy: -347.263674
where:
bonds (distance) C4'-P energy: -66.347
bonds (distance) P-C4' energy: -68.071
flat angles C4'-P-C4' energy: -72.369
flat angles P-C4'-P energy: -47.228
tors. eta vs tors. theta energy: -93.248
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: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1030.724474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.724474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.724474 (E_RNA)
where:
Base-Base interactions energy: -695.619
where: short stacking energy: -294.425
Base-Backbone interact. energy: -1.690
local terms energy: -333.415890
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -60.517
flat angles C4'-P-C4' energy: -66.653
flat angles P-C4'-P energy: -48.272
tors. eta vs tors. theta energy: -94.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -928.217565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.217565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.217565 (E_RNA)
where:
Base-Base interactions energy: -622.821
where: short stacking energy: -249.879
Base-Backbone interact. energy: -3.487
local terms energy: -301.910090
where:
bonds (distance) C4'-P energy: -52.571
bonds (distance) P-C4' energy: -74.894
flat angles C4'-P-C4' energy: -65.372
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -70.173
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: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -790.964904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.964904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.964904 (E_RNA)
where:
Base-Base interactions energy: -493.553
where: short stacking energy: -222.006
Base-Backbone interact. energy: -1.411
local terms energy: -296.000886
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -51.786
flat angles C4'-P-C4' energy: -73.037
flat angles P-C4'-P energy: -44.842
tors. eta vs tors. theta energy: -72.522
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: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -639.053176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.053176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.053176 (E_RNA)
where:
Base-Base interactions energy: -379.006
where: short stacking energy: -171.185
Base-Backbone interact. energy: -1.108
local terms energy: -258.939241
where:
bonds (distance) C4'-P energy: -56.369
bonds (distance) P-C4' energy: -61.424
flat angles C4'-P-C4' energy: -68.228
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -29.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -371.411431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.411431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.411431 (E_RNA)
where:
Base-Base interactions energy: -168.265
where: short stacking energy: -97.892
Base-Backbone interact. energy: 1.773
local terms energy: -204.919316
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -52.713
flat angles C4'-P-C4' energy: -57.872
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -320.439642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.439642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.439642 (E_RNA)
where:
Base-Base interactions energy: -124.753
where: short stacking energy: -106.081
Base-Backbone interact. energy: -0.542
local terms energy: -195.144847
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -53.496
flat angles C4'-P-C4' energy: -52.166
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -286.578718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.578718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.578718 (E_RNA)
where:
Base-Base interactions energy: -93.311
where: short stacking energy: -73.771
Base-Backbone interact. energy: 3.441
local terms energy: -196.708532
where:
bonds (distance) C4'-P energy: -66.938
bonds (distance) P-C4' energy: -69.093
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: 7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -261.908609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.908609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.908609 (E_RNA)
where:
Base-Base interactions energy: -121.476
where: short stacking energy: -51.512
Base-Backbone interact. energy: 0.769
local terms energy: -141.201454
where:
bonds (distance) C4'-P energy: -57.505
bonds (distance) P-C4' energy: -57.323
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: 22.563
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: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1059.302908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.302908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.302908 (E_RNA)
where:
Base-Base interactions energy: -693.973
where: short stacking energy: -300.854
Base-Backbone interact. energy: -1.011
local terms energy: -364.318656
where:
bonds (distance) C4'-P energy: -67.987
bonds (distance) P-C4' energy: -67.791
flat angles C4'-P-C4' energy: -74.904
flat angles P-C4'-P energy: -52.236
tors. eta vs tors. theta energy: -101.401
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: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1053.746255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.746255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.746255 (E_RNA)
where:
Base-Base interactions energy: -699.841
where: short stacking energy: -302.039
Base-Backbone interact. energy: 0.395
local terms energy: -354.300922
where:
bonds (distance) C4'-P energy: -64.633
bonds (distance) P-C4' energy: -67.800
flat angles C4'-P-C4' energy: -75.457
flat angles P-C4'-P energy: -44.051
tors. eta vs tors. theta energy: -102.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1027.623012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.623012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.623012 (E_RNA)
where:
Base-Base interactions energy: -687.271
where: short stacking energy: -285.267
Base-Backbone interact. energy: -0.138
local terms energy: -340.213675
where:
bonds (distance) C4'-P energy: -57.098
bonds (distance) P-C4' energy: -66.265
flat angles C4'-P-C4' energy: -71.237
flat angles P-C4'-P energy: -55.570
tors. eta vs tors. theta energy: -90.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -910.686399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.686399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.686399 (E_RNA)
where:
Base-Base interactions energy: -590.227
where: short stacking energy: -239.994
Base-Backbone interact. energy: 0.104
local terms energy: -320.562709
where:
bonds (distance) C4'-P energy: -69.334
bonds (distance) P-C4' energy: -66.570
flat angles C4'-P-C4' energy: -67.898
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -70.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -821.334136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.334136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.334136 (E_RNA)
where:
Base-Base interactions energy: -529.724
where: short stacking energy: -239.477
Base-Backbone interact. energy: -1.019
local terms energy: -290.591330
where:
bonds (distance) C4'-P energy: -58.540
bonds (distance) P-C4' energy: -60.187
flat angles C4'-P-C4' energy: -64.174
flat angles P-C4'-P energy: -40.496
tors. eta vs tors. theta energy: -67.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -626.840946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.840946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.840946 (E_RNA)
where:
Base-Base interactions energy: -358.096
where: short stacking energy: -175.513
Base-Backbone interact. energy: -1.257
local terms energy: -267.487797
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -71.972
flat angles C4'-P-C4' energy: -57.707
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -38.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -326.271918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.271918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.271918 (E_RNA)
where:
Base-Base interactions energy: -119.190
where: short stacking energy: -89.426
Base-Backbone interact. energy: -2.904
local terms energy: -204.178387
where:
bonds (distance) C4'-P energy: -57.011
bonds (distance) P-C4' energy: -58.997
flat angles C4'-P-C4' energy: -60.145
flat angles P-C4'-P energy: -29.008
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -347.286942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.286942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.286942 (E_RNA)
where:
Base-Base interactions energy: -132.286
where: short stacking energy: -84.951
Base-Backbone interact. energy: -2.195
local terms energy: -212.806012
where:
bonds (distance) C4'-P energy: -63.043
bonds (distance) P-C4' energy: -60.377
flat angles C4'-P-C4' energy: -50.776
flat angles P-C4'-P energy: -42.436
tors. eta vs tors. theta energy: 3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -299.904571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.904571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.904571 (E_RNA)
where:
Base-Base interactions energy: -107.431
where: short stacking energy: -87.036
Base-Backbone interact. energy: 0.980
local terms energy: -193.453123
where:
bonds (distance) C4'-P energy: -69.889
bonds (distance) P-C4' energy: -58.576
flat angles C4'-P-C4' energy: -57.894
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: 15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -256.309853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.309853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.309853 (E_RNA)
where:
Base-Base interactions energy: -76.532
where: short stacking energy: -53.475
Base-Backbone interact. energy: -1.012
local terms energy: -178.765979
where:
bonds (distance) C4'-P energy: -56.127
bonds (distance) P-C4' energy: -59.874
flat angles C4'-P-C4' energy: -51.390
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: 15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1054.917292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.917292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.917292 (E_RNA)
where:
Base-Base interactions energy: -690.483
where: short stacking energy: -297.572
Base-Backbone interact. energy: 3.101
local terms energy: -367.534815
where:
bonds (distance) C4'-P energy: -72.710
bonds (distance) P-C4' energy: -67.047
flat angles C4'-P-C4' energy: -72.380
flat angles P-C4'-P energy: -56.563
tors. eta vs tors. theta energy: -98.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1039.629862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.629862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.629862 (E_RNA)
where:
Base-Base interactions energy: -706.028
where: short stacking energy: -320.216
Base-Backbone interact. energy: 0.325
local terms energy: -333.926524
where:
bonds (distance) C4'-P energy: -62.181
bonds (distance) P-C4' energy: -58.825
flat angles C4'-P-C4' energy: -71.172
flat angles P-C4'-P energy: -41.641
tors. eta vs tors. theta energy: -100.108
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: 161
Temperature: 1.000000
Total energy: -987.802205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.802205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.802205 (E_RNA)
where:
Base-Base interactions energy: -656.068
where: short stacking energy: -309.575
Base-Backbone interact. energy: 0.455
local terms energy: -336.030828
where:
bonds (distance) C4'-P energy: -59.001
bonds (distance) P-C4' energy: -67.225
flat angles C4'-P-C4' energy: -70.638
flat angles P-C4'-P energy: -39.936
tors. eta vs tors. theta energy: -99.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.841 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -913.896461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.896461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.896461 (E_RNA)
where:
Base-Base interactions energy: -619.721
where: short stacking energy: -253.896
Base-Backbone interact. energy: -0.411
local terms energy: -293.763808
where:
bonds (distance) C4'-P energy: -48.034
bonds (distance) P-C4' energy: -65.946
flat angles C4'-P-C4' energy: -66.118
flat angles P-C4'-P energy: -45.202
tors. eta vs tors. theta energy: -68.465
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: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -802.481196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.481196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.481196 (E_RNA)
where:
Base-Base interactions energy: -510.403
where: short stacking energy: -239.196
Base-Backbone interact. energy: -0.193
local terms energy: -291.884863
where:
bonds (distance) C4'-P energy: -57.264
bonds (distance) P-C4' energy: -61.964
flat angles C4'-P-C4' energy: -61.119
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -66.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -565.674647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.674647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.674647 (E_RNA)
where:
Base-Base interactions energy: -343.336
where: short stacking energy: -154.454
Base-Backbone interact. energy: 4.765
local terms energy: -227.103308
where:
bonds (distance) C4'-P energy: -63.032
bonds (distance) P-C4' energy: -53.265
flat angles C4'-P-C4' energy: -52.010
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: -31.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -347.317822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.317822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.317822 (E_RNA)
where:
Base-Base interactions energy: -117.775
where: short stacking energy: -78.417
Base-Backbone interact. energy: 0.312
local terms energy: -229.854347
where:
bonds (distance) C4'-P energy: -63.595
bonds (distance) P-C4' energy: -58.619
flat angles C4'-P-C4' energy: -57.226
flat angles P-C4'-P energy: -41.742
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -299.049307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.049307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.049307 (E_RNA)
where:
Base-Base interactions energy: -104.456
where: short stacking energy: -58.831
Base-Backbone interact. energy: -1.332
local terms energy: -193.261368
where:
bonds (distance) C4'-P energy: -64.621
bonds (distance) P-C4' energy: -66.775
flat angles C4'-P-C4' energy: -51.678
flat angles P-C4'-P energy: -21.575
tors. eta vs tors. theta energy: 11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -278.759774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.759774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.759774 (E_RNA)
where:
Base-Base interactions energy: -114.172
where: short stacking energy: -67.646
Base-Backbone interact. energy: -1.845
local terms energy: -162.743335
where:
bonds (distance) C4'-P energy: -44.077
bonds (distance) P-C4' energy: -52.175
flat angles C4'-P-C4' energy: -47.815
flat angles P-C4'-P energy: -27.920
tors. eta vs tors. theta energy: 9.243
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: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -273.210613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.210613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.210613 (E_RNA)
where:
Base-Base interactions energy: -79.172
where: short stacking energy: -68.256
Base-Backbone interact. energy: -0.520
local terms energy: -193.518773
where:
bonds (distance) C4'-P energy: -49.934
bonds (distance) P-C4' energy: -72.859
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -31.869
tors. eta vs tors. theta energy: 5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1064.720126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.720126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.720126 (E_RNA)
where:
Base-Base interactions energy: -696.022
where: short stacking energy: -297.002
Base-Backbone interact. energy: -0.756
local terms energy: -368.275596
where:
bonds (distance) C4'-P energy: -68.404
bonds (distance) P-C4' energy: -72.403
flat angles C4'-P-C4' energy: -75.835
flat angles P-C4'-P energy: -53.003
tors. eta vs tors. theta energy: -98.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.334 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1037.335102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.335102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.335102 (E_RNA)
where:
Base-Base interactions energy: -694.766
where: short stacking energy: -313.686
Base-Backbone interact. energy: 1.436
local terms energy: -344.004858
where:
bonds (distance) C4'-P energy: -65.307
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -78.792
flat angles P-C4'-P energy: -42.756
tors. eta vs tors. theta energy: -101.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1010.719704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.719704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.719704 (E_RNA)
where:
Base-Base interactions energy: -671.044
where: short stacking energy: -272.867
Base-Backbone interact. energy: -0.278
local terms energy: -339.398200
where:
bonds (distance) C4'-P energy: -61.803
bonds (distance) P-C4' energy: -69.288
flat angles C4'-P-C4' energy: -74.163
flat angles P-C4'-P energy: -47.038
tors. eta vs tors. theta energy: -87.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -914.991777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.991777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.991777 (E_RNA)
where:
Base-Base interactions energy: -592.780
where: short stacking energy: -249.376
Base-Backbone interact. energy: -1.678
local terms energy: -320.533613
where:
bonds (distance) C4'-P energy: -60.166
bonds (distance) P-C4' energy: -70.658
flat angles C4'-P-C4' energy: -71.117
flat angles P-C4'-P energy: -51.087
tors. eta vs tors. theta energy: -67.505
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: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -820.211298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.211298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.211298 (E_RNA)
where:
Base-Base interactions energy: -535.470
where: short stacking energy: -240.290
Base-Backbone interact. energy: -1.174
local terms energy: -283.566984
where:
bonds (distance) C4'-P energy: -50.493
bonds (distance) P-C4' energy: -64.370
flat angles C4'-P-C4' energy: -55.290
flat angles P-C4'-P energy: -43.487
tors. eta vs tors. theta energy: -69.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -625.968089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.968089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.968089 (E_RNA)
where:
Base-Base interactions energy: -381.162
where: short stacking energy: -175.810
Base-Backbone interact. energy: 3.126
local terms energy: -247.932208
where:
bonds (distance) C4'-P energy: -54.732
bonds (distance) P-C4' energy: -66.848
flat angles C4'-P-C4' energy: -56.265
flat angles P-C4'-P energy: -31.498
tors. eta vs tors. theta energy: -38.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -383.309162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.309162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.309162 (E_RNA)
where:
Base-Base interactions energy: -160.689
where: short stacking energy: -100.357
Base-Backbone interact. energy: 0.987
local terms energy: -223.607063
where:
bonds (distance) C4'-P energy: -50.906
bonds (distance) P-C4' energy: -64.018
flat angles C4'-P-C4' energy: -63.458
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -337.586685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.586685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.586685 (E_RNA)
where:
Base-Base interactions energy: -131.536
where: short stacking energy: -94.580
Base-Backbone interact. energy: -0.839
local terms energy: -205.211415
where:
bonds (distance) C4'-P energy: -43.756
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -57.879
flat angles P-C4'-P energy: -39.514
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -283.488802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.488802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.488802 (E_RNA)
where:
Base-Base interactions energy: -87.010
where: short stacking energy: -67.007
Base-Backbone interact. energy: -1.818
local terms energy: -194.660784
where:
bonds (distance) C4'-P energy: -51.826
bonds (distance) P-C4' energy: -70.286
flat angles C4'-P-C4' energy: -47.098
flat angles P-C4'-P energy: -29.393
tors. eta vs tors. theta energy: 3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -275.086390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.086390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.086390 (E_RNA)
where:
Base-Base interactions energy: -115.537
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.190
local terms energy: -159.358871
where:
bonds (distance) C4'-P energy: -57.232
bonds (distance) P-C4' energy: -40.443
flat angles C4'-P-C4' energy: -50.322
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: 15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1082.485152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.485152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.485152 (E_RNA)
where:
Base-Base interactions energy: -730.925
where: short stacking energy: -315.700
Base-Backbone interact. energy: -0.628
local terms energy: -350.932414
where:
bonds (distance) C4'-P energy: -67.527
bonds (distance) P-C4' energy: -63.489
flat angles C4'-P-C4' energy: -75.956
flat angles P-C4'-P energy: -44.015
tors. eta vs tors. theta energy: -99.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1045.608562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.608562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.608562 (E_RNA)
where:
Base-Base interactions energy: -701.361
where: short stacking energy: -289.787
Base-Backbone interact. energy: -2.735
local terms energy: -341.513305
where:
bonds (distance) C4'-P energy: -66.182
bonds (distance) P-C4' energy: -70.036
flat angles C4'-P-C4' energy: -66.973
flat angles P-C4'-P energy: -52.453
tors. eta vs tors. theta energy: -85.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1006.351478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.351478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.351478 (E_RNA)
where:
Base-Base interactions energy: -661.199
where: short stacking energy: -284.910
Base-Backbone interact. energy: -0.273
local terms energy: -344.880214
where:
bonds (distance) C4'-P energy: -72.168
bonds (distance) P-C4' energy: -66.243
flat angles C4'-P-C4' energy: -62.606
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -103.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -907.255478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.255478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.255478 (E_RNA)
where:
Base-Base interactions energy: -614.433
where: short stacking energy: -261.897
Base-Backbone interact. energy: 0.009
local terms energy: -292.830729
where:
bonds (distance) C4'-P energy: -52.326
bonds (distance) P-C4' energy: -64.889
flat angles C4'-P-C4' energy: -61.262
flat angles P-C4'-P energy: -43.481
tors. eta vs tors. theta energy: -70.873
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: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -803.765330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.765330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.765330 (E_RNA)
where:
Base-Base interactions energy: -521.291
where: short stacking energy: -229.880
Base-Backbone interact. energy: -1.246
local terms energy: -281.228210
where:
bonds (distance) C4'-P energy: -56.140
bonds (distance) P-C4' energy: -61.575
flat angles C4'-P-C4' energy: -55.246
flat angles P-C4'-P energy: -46.399
tors. eta vs tors. theta energy: -61.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -642.140488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.140488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.140488 (E_RNA)
where:
Base-Base interactions energy: -401.781
where: short stacking energy: -176.209
Base-Backbone interact. energy: 2.723
local terms energy: -243.082893
where:
bonds (distance) C4'-P energy: -48.980
bonds (distance) P-C4' energy: -51.580
flat angles C4'-P-C4' energy: -63.506
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: -42.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -414.340705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.340705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.340705 (E_RNA)
where:
Base-Base interactions energy: -220.735
where: short stacking energy: -111.966
Base-Backbone interact. energy: 1.105
local terms energy: -194.711201
where:
bonds (distance) C4'-P energy: -53.503
bonds (distance) P-C4' energy: -54.971
flat angles C4'-P-C4' energy: -53.839
flat angles P-C4'-P energy: -33.550
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -397.903994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.903994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.903994 (E_RNA)
where:
Base-Base interactions energy: -212.190
where: short stacking energy: -115.729
Base-Backbone interact. energy: -1.379
local terms energy: -184.979650
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -52.672
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.645 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -294.910373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.910373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.910373 (E_RNA)
where:
Base-Base interactions energy: -103.202
where: short stacking energy: -84.214
Base-Backbone interact. energy: -1.220
local terms energy: -190.489119
where:
bonds (distance) C4'-P energy: -48.748
bonds (distance) P-C4' energy: -58.214
flat angles C4'-P-C4' energy: -45.147
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -281.508399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.508399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.508399 (E_RNA)
where:
Base-Base interactions energy: -100.777
where: short stacking energy: -63.089
Base-Backbone interact. energy: 0.408
local terms energy: -181.139870
where:
bonds (distance) C4'-P energy: -56.541
bonds (distance) P-C4' energy: -71.781
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -25.651
tors. eta vs tors. theta energy: 7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1067.344980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.344980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.344980 (E_RNA)
where:
Base-Base interactions energy: -742.624
where: short stacking energy: -325.525
Base-Backbone interact. energy: -0.385
local terms energy: -324.336150
where:
bonds (distance) C4'-P energy: -61.898
bonds (distance) P-C4' energy: -51.727
flat angles C4'-P-C4' energy: -70.615
flat angles P-C4'-P energy: -40.760
tors. eta vs tors. theta energy: -99.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1039.957193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.957193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.957193 (E_RNA)
where:
Base-Base interactions energy: -694.479
where: short stacking energy: -285.823
Base-Backbone interact. energy: -0.475
local terms energy: -345.002694
where:
bonds (distance) C4'-P energy: -65.705
bonds (distance) P-C4' energy: -66.832
flat angles C4'-P-C4' energy: -72.252
flat angles P-C4'-P energy: -44.585
tors. eta vs tors. theta energy: -95.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -999.895130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.895130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.895130 (E_RNA)
where:
Base-Base interactions energy: -669.748
where: short stacking energy: -299.566
Base-Backbone interact. energy: -1.190
local terms energy: -328.956841
where:
bonds (distance) C4'-P energy: -67.446
bonds (distance) P-C4' energy: -57.449
flat angles C4'-P-C4' energy: -65.653
flat angles P-C4'-P energy: -35.059
tors. eta vs tors. theta energy: -103.350
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: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -906.124461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.124461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.124461 (E_RNA)
where:
Base-Base interactions energy: -607.459
where: short stacking energy: -252.964
Base-Backbone interact. energy: -0.701
local terms energy: -297.964687
where:
bonds (distance) C4'-P energy: -64.403
bonds (distance) P-C4' energy: -64.134
flat angles C4'-P-C4' energy: -60.273
flat angles P-C4'-P energy: -39.792
tors. eta vs tors. theta energy: -69.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -782.129417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.129417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.129417 (E_RNA)
where:
Base-Base interactions energy: -496.452
where: short stacking energy: -227.091
Base-Backbone interact. energy: -0.432
local terms energy: -285.245382
where:
bonds (distance) C4'-P energy: -56.387
bonds (distance) P-C4' energy: -60.985
flat angles C4'-P-C4' energy: -65.590
flat angles P-C4'-P energy: -44.005
tors. eta vs tors. theta energy: -58.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -639.417074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.417074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.417074 (E_RNA)
where:
Base-Base interactions energy: -384.196
where: short stacking energy: -191.147
Base-Backbone interact. energy: -1.541
local terms energy: -253.680203
where:
bonds (distance) C4'-P energy: -54.182
bonds (distance) P-C4' energy: -61.339
flat angles C4'-P-C4' energy: -46.119
flat angles P-C4'-P energy: -46.995
tors. eta vs tors. theta energy: -45.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -455.033447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.033447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.033447 (E_RNA)
where:
Base-Base interactions energy: -229.835
where: short stacking energy: -130.571
Base-Backbone interact. energy: -0.425
local terms energy: -224.773912
where:
bonds (distance) C4'-P energy: -43.726
bonds (distance) P-C4' energy: -68.917
flat angles C4'-P-C4' energy: -59.317
flat angles P-C4'-P energy: -27.659
tors. eta vs tors. theta energy: -25.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -327.439469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.439469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.439469 (E_RNA)
where:
Base-Base interactions energy: -131.786
where: short stacking energy: -85.313
Base-Backbone interact. energy: 2.788
local terms energy: -198.441175
where:
bonds (distance) C4'-P energy: -61.865
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -51.444
flat angles P-C4'-P energy: -32.949
tors. eta vs tors. theta energy: 0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -271.926731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.926731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.926731 (E_RNA)
where:
Base-Base interactions energy: -94.954
where: short stacking energy: -72.103
Base-Backbone interact. energy: -0.997
local terms energy: -175.974878
where:
bonds (distance) C4'-P energy: -42.798
bonds (distance) P-C4' energy: -60.900
flat angles C4'-P-C4' energy: -45.366
flat angles P-C4'-P energy: -35.409
tors. eta vs tors. theta energy: 8.498
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: 10, replica: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -276.808279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.808279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.808279 (E_RNA)
where:
Base-Base interactions energy: -91.513
where: short stacking energy: -71.285
Base-Backbone interact. energy: -0.721
local terms energy: -184.574019
where:
bonds (distance) C4'-P energy: -49.986
bonds (distance) P-C4' energy: -60.402
flat angles C4'-P-C4' energy: -52.468
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: 14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1061.703681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.703681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.703681 (E_RNA)
where:
Base-Base interactions energy: -700.377
where: short stacking energy: -298.770
Base-Backbone interact. energy: 1.447
local terms energy: -363.774823
where:
bonds (distance) C4'-P energy: -65.833
bonds (distance) P-C4' energy: -74.683
flat angles C4'-P-C4' energy: -73.900
flat angles P-C4'-P energy: -57.585
tors. eta vs tors. theta energy: -91.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.001 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1053.976946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.976946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.976946 (E_RNA)
where:
Base-Base interactions energy: -712.541
where: short stacking energy: -292.044
Base-Backbone interact. energy: -0.013
local terms energy: -341.422760
where:
bonds (distance) C4'-P energy: -58.053
bonds (distance) P-C4' energy: -66.936
flat angles C4'-P-C4' energy: -74.899
flat angles P-C4'-P energy: -47.393
tors. eta vs tors. theta energy: -94.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -989.282701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.282701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.282701 (E_RNA)
where:
Base-Base interactions energy: -647.783
where: short stacking energy: -272.546
Base-Backbone interact. energy: -0.940
local terms energy: -340.559861
where:
bonds (distance) C4'-P energy: -62.394
bonds (distance) P-C4' energy: -69.582
flat angles C4'-P-C4' energy: -69.868
flat angles P-C4'-P energy: -46.098
tors. eta vs tors. theta energy: -92.618
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -949.948826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.948826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.948826 (E_RNA)
where:
Base-Base interactions energy: -643.849
where: short stacking energy: -256.509
Base-Backbone interact. energy: -1.024
local terms energy: -305.075948
where:
bonds (distance) C4'-P energy: -50.647
bonds (distance) P-C4' energy: -64.895
flat angles C4'-P-C4' energy: -66.975
flat angles P-C4'-P energy: -43.907
tors. eta vs tors. theta energy: -78.652
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: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -768.479225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.479225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.479225 (E_RNA)
where:
Base-Base interactions energy: -483.907
where: short stacking energy: -224.483
Base-Backbone interact. energy: 0.345
local terms energy: -284.917923
where:
bonds (distance) C4'-P energy: -62.305
bonds (distance) P-C4' energy: -56.465
flat angles C4'-P-C4' energy: -64.015
flat angles P-C4'-P energy: -45.937
tors. eta vs tors. theta energy: -56.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -649.158156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.158156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.158156 (E_RNA)
where:
Base-Base interactions energy: -381.623
where: short stacking energy: -157.407
Base-Backbone interact. energy: -1.755
local terms energy: -265.780356
where:
bonds (distance) C4'-P energy: -57.973
bonds (distance) P-C4' energy: -66.899
flat angles C4'-P-C4' energy: -67.218
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -34.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -453.679817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.679817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.679817 (E_RNA)
where:
Base-Base interactions energy: -246.055
where: short stacking energy: -105.345
Base-Backbone interact. energy: 1.992
local terms energy: -209.617107
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -52.923
flat angles C4'-P-C4' energy: -45.483
flat angles P-C4'-P energy: -35.728
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -297.882466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.882466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.882466 (E_RNA)
where:
Base-Base interactions energy: -99.984
where: short stacking energy: -78.441
Base-Backbone interact. energy: -1.373
local terms energy: -198.842618
where:
bonds (distance) C4'-P energy: -58.643
bonds (distance) P-C4' energy: -55.870
flat angles C4'-P-C4' energy: -47.073
flat angles P-C4'-P energy: -45.913
tors. eta vs tors. theta energy: 8.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.317 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -313.382619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.382619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.382619 (E_RNA)
where:
Base-Base interactions energy: -140.492
where: short stacking energy: -91.482
Base-Backbone interact. energy: -1.823
local terms energy: -171.067544
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -60.377
flat angles C4'-P-C4' energy: -52.281
flat angles P-C4'-P energy: -30.952
tors. eta vs tors. theta energy: 4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -290.292522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.292522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.292522 (E_RNA)
where:
Base-Base interactions energy: -120.242
where: short stacking energy: -69.233
Base-Backbone interact. energy: -1.726
local terms energy: -168.324112
where:
bonds (distance) C4'-P energy: -50.395
bonds (distance) P-C4' energy: -56.311
flat angles C4'-P-C4' energy: -39.204
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: 5.962
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: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1068.480981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.480981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.480981 (E_RNA)
where:
Base-Base interactions energy: -724.577
where: short stacking energy: -283.079
Base-Backbone interact. energy: -2.254
local terms energy: -342.454376
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -64.727
flat angles C4'-P-C4' energy: -68.831
flat angles P-C4'-P energy: -51.998
tors. eta vs tors. theta energy: -97.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.804 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1024.458922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.458922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.458922 (E_RNA)
where:
Base-Base interactions energy: -685.263
where: short stacking energy: -277.127
Base-Backbone interact. energy: -1.403
local terms energy: -337.793244
where:
bonds (distance) C4'-P energy: -54.042
bonds (distance) P-C4' energy: -66.932
flat angles C4'-P-C4' energy: -77.657
flat angles P-C4'-P energy: -44.517
tors. eta vs tors. theta energy: -94.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1014.392063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.392063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.392063 (E_RNA)
where:
Base-Base interactions energy: -654.495
where: short stacking energy: -311.599
Base-Backbone interact. energy: -0.621
local terms energy: -359.276253
where:
bonds (distance) C4'-P energy: -58.196
bonds (distance) P-C4' energy: -65.436
flat angles C4'-P-C4' energy: -80.988
flat angles P-C4'-P energy: -49.411
tors. eta vs tors. theta energy: -105.244
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: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -908.678356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.678356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.678356 (E_RNA)
where:
Base-Base interactions energy: -577.718
where: short stacking energy: -237.586
Base-Backbone interact. energy: -2.890
local terms energy: -328.070790
where:
bonds (distance) C4'-P energy: -54.398
bonds (distance) P-C4' energy: -64.848
flat angles C4'-P-C4' energy: -76.791
flat angles P-C4'-P energy: -54.539
tors. eta vs tors. theta energy: -77.494
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: 166
Temperature: 1.100000
Total energy: -759.056795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.056795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.056795 (E_RNA)
where:
Base-Base interactions energy: -464.756
where: short stacking energy: -219.620
Base-Backbone interact. energy: -0.504
local terms energy: -293.796927
where:
bonds (distance) C4'-P energy: -60.757
bonds (distance) P-C4' energy: -65.232
flat angles C4'-P-C4' energy: -61.437
flat angles P-C4'-P energy: -43.876
tors. eta vs tors. theta energy: -62.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -640.937441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.937441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.937441 (E_RNA)
where:
Base-Base interactions energy: -379.290
where: short stacking energy: -181.540
Base-Backbone interact. energy: -3.280
local terms energy: -258.367646
where:
bonds (distance) C4'-P energy: -45.798
bonds (distance) P-C4' energy: -57.771
flat angles C4'-P-C4' energy: -60.230
flat angles P-C4'-P energy: -49.738
tors. eta vs tors. theta energy: -44.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -421.987936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.987936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.987936 (E_RNA)
where:
Base-Base interactions energy: -207.068
where: short stacking energy: -97.004
Base-Backbone interact. energy: -1.182
local terms energy: -213.737549
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -57.274
flat angles C4'-P-C4' energy: -60.186
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -6.171
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: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -314.108479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.108479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.108479 (E_RNA)
where:
Base-Base interactions energy: -126.287
where: short stacking energy: -104.022
Base-Backbone interact. energy: 0.779
local terms energy: -188.600965
where:
bonds (distance) C4'-P energy: -56.500
bonds (distance) P-C4' energy: -53.933
flat angles C4'-P-C4' energy: -54.826
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: 3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -312.558023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.558023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.558023 (E_RNA)
where:
Base-Base interactions energy: -131.274
where: short stacking energy: -80.686
Base-Backbone interact. energy: 3.122
local terms energy: -184.405866
where:
bonds (distance) C4'-P energy: -59.935
bonds (distance) P-C4' energy: -56.814
flat angles C4'-P-C4' energy: -40.898
flat angles P-C4'-P energy: -34.916
tors. eta vs tors. theta energy: 8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -261.631680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.631680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.631680 (E_RNA)
where:
Base-Base interactions energy: -86.995
where: short stacking energy: -53.209
Base-Backbone interact. energy: -1.650
local terms energy: -172.986457
where:
bonds (distance) C4'-P energy: -62.671
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -42.768
flat angles P-C4'-P energy: -32.617
tors. eta vs tors. theta energy: 28.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1070.687973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.687973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.687973 (E_RNA)
where:
Base-Base interactions energy: -737.177
where: short stacking energy: -286.739
Base-Backbone interact. energy: -2.769
local terms energy: -330.797770
where:
bonds (distance) C4'-P energy: -55.535
bonds (distance) P-C4' energy: -61.967
flat angles C4'-P-C4' energy: -71.632
flat angles P-C4'-P energy: -43.898
tors. eta vs tors. theta energy: -97.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.056 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1035.709248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.709248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.709248 (E_RNA)
where:
Base-Base interactions energy: -690.531
where: short stacking energy: -290.490
Base-Backbone interact. energy: -1.234
local terms energy: -343.943987
where:
bonds (distance) C4'-P energy: -68.956
bonds (distance) P-C4' energy: -61.455
flat angles C4'-P-C4' energy: -73.464
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -99.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -961.407907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.407907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.407907 (E_RNA)
where:
Base-Base interactions energy: -638.285
where: short stacking energy: -264.558
Base-Backbone interact. energy: -0.750
local terms energy: -322.372755
where:
bonds (distance) C4'-P energy: -56.362
bonds (distance) P-C4' energy: -58.782
flat angles C4'-P-C4' energy: -67.330
flat angles P-C4'-P energy: -50.188
tors. eta vs tors. theta energy: -89.711
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: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -866.488384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.488384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.488384 (E_RNA)
where:
Base-Base interactions energy: -577.706
where: short stacking energy: -218.751
Base-Backbone interact. energy: 0.187
local terms energy: -288.968947
where:
bonds (distance) C4'-P energy: -67.336
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -66.429
flat angles P-C4'-P energy: -46.624
tors. eta vs tors. theta energy: -56.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -722.991954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.991954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.991954 (E_RNA)
where:
Base-Base interactions energy: -437.487
where: short stacking energy: -201.912
Base-Backbone interact. energy: 6.051
local terms energy: -291.556701
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -56.853
flat angles C4'-P-C4' energy: -67.361
flat angles P-C4'-P energy: -51.478
tors. eta vs tors. theta energy: -62.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -651.734047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.734047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.734047 (E_RNA)
where:
Base-Base interactions energy: -405.807
where: short stacking energy: -173.179
Base-Backbone interact. energy: -0.973
local terms energy: -244.954399
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -57.639
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -36.363
tors. eta vs tors. theta energy: -38.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -411.195087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.195087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.195087 (E_RNA)
where:
Base-Base interactions energy: -201.190
where: short stacking energy: -105.571
Base-Backbone interact. energy: -3.326
local terms energy: -206.679061
where:
bonds (distance) C4'-P energy: -63.069
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -53.930
flat angles P-C4'-P energy: -30.996
tors. eta vs tors. theta energy: -12.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -289.888344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.888344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.888344 (E_RNA)
where:
Base-Base interactions energy: -88.156
where: short stacking energy: -72.610
Base-Backbone interact. energy: -1.377
local terms energy: -200.439597
where:
bonds (distance) C4'-P energy: -64.626
bonds (distance) P-C4' energy: -66.943
flat angles C4'-P-C4' energy: -34.793
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: 5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.084 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -293.529846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.529846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.529846 (E_RNA)
where:
Base-Base interactions energy: -93.070
where: short stacking energy: -61.237
Base-Backbone interact. energy: -1.185
local terms energy: -199.275567
where:
bonds (distance) C4'-P energy: -60.766
bonds (distance) P-C4' energy: -53.771
flat angles C4'-P-C4' energy: -50.170
flat angles P-C4'-P energy: -32.909
tors. eta vs tors. theta energy: -1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -263.261608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.261608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.261608 (E_RNA)
where:
Base-Base interactions energy: -91.991
where: short stacking energy: -56.164
Base-Backbone interact. energy: 3.062
local terms energy: -174.332459
where:
bonds (distance) C4'-P energy: -49.560
bonds (distance) P-C4' energy: -67.753
flat angles C4'-P-C4' energy: -34.753
flat angles P-C4'-P energy: -34.878
tors. eta vs tors. theta energy: 12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1084.571902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.571902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.571902 (E_RNA)
where:
Base-Base interactions energy: -722.398
where: short stacking energy: -307.642
Base-Backbone interact. energy: -1.481
local terms energy: -360.693374
where:
bonds (distance) C4'-P energy: -64.736
bonds (distance) P-C4' energy: -73.317
flat angles C4'-P-C4' energy: -73.129
flat angles P-C4'-P energy: -51.519
tors. eta vs tors. theta energy: -97.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1034.726212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.726212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.726212 (E_RNA)
where:
Base-Base interactions energy: -675.933
where: short stacking energy: -297.824
Base-Backbone interact. energy: -0.658
local terms energy: -358.135477
where:
bonds (distance) C4'-P energy: -58.486
bonds (distance) P-C4' energy: -71.477
flat angles C4'-P-C4' energy: -77.209
flat angles P-C4'-P energy: -43.272
tors. eta vs tors. theta energy: -107.691
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: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -961.100785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.100785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.100785 (E_RNA)
where:
Base-Base interactions energy: -631.999
where: short stacking energy: -256.047
Base-Backbone interact. energy: -3.489
local terms energy: -325.612223
where:
bonds (distance) C4'-P energy: -71.854
bonds (distance) P-C4' energy: -66.576
flat angles C4'-P-C4' energy: -62.075
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -86.492
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: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -904.585205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.585205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.585205 (E_RNA)
where:
Base-Base interactions energy: -578.963
where: short stacking energy: -228.779
Base-Backbone interact. energy: -1.258
local terms energy: -324.363575
where:
bonds (distance) C4'-P energy: -63.030
bonds (distance) P-C4' energy: -75.626
flat angles C4'-P-C4' energy: -67.706
flat angles P-C4'-P energy: -43.938
tors. eta vs tors. theta energy: -74.063
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: 168
Temperature: 1.100000
Total energy: -716.540662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.540662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.540662 (E_RNA)
where:
Base-Base interactions energy: -463.208
where: short stacking energy: -205.758
Base-Backbone interact. energy: -0.746
local terms energy: -252.586239
where:
bonds (distance) C4'-P energy: -49.284
bonds (distance) P-C4' energy: -68.247
flat angles C4'-P-C4' energy: -58.251
flat angles P-C4'-P energy: -31.091
tors. eta vs tors. theta energy: -45.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -642.085785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.085785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.085785 (E_RNA)
where:
Base-Base interactions energy: -387.946
where: short stacking energy: -179.931
Base-Backbone interact. energy: 0.071
local terms energy: -254.210566
where:
bonds (distance) C4'-P energy: -50.234
bonds (distance) P-C4' energy: -59.019
flat angles C4'-P-C4' energy: -54.871
flat angles P-C4'-P energy: -46.869
tors. eta vs tors. theta energy: -43.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -436.027777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.027777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.027777 (E_RNA)
where:
Base-Base interactions energy: -200.453
where: short stacking energy: -101.340
Base-Backbone interact. energy: -0.778
local terms energy: -234.796412
where:
bonds (distance) C4'-P energy: -57.927
bonds (distance) P-C4' energy: -58.140
flat angles C4'-P-C4' energy: -62.958
flat angles P-C4'-P energy: -34.953
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -305.910651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.910651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.910651 (E_RNA)
where:
Base-Base interactions energy: -109.788
where: short stacking energy: -69.615
Base-Backbone interact. energy: 1.968
local terms energy: -198.091540
where:
bonds (distance) C4'-P energy: -58.590
bonds (distance) P-C4' energy: -64.440
flat angles C4'-P-C4' energy: -52.322
flat angles P-C4'-P energy: -32.357
tors. eta vs tors. theta energy: 9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -268.464145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.464145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.464145 (E_RNA)
where:
Base-Base interactions energy: -99.304
where: short stacking energy: -64.233
Base-Backbone interact. energy: 1.066
local terms energy: -170.226407
where:
bonds (distance) C4'-P energy: -56.731
bonds (distance) P-C4' energy: -65.432
flat angles C4'-P-C4' energy: -41.547
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: 17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -253.410377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.410377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.410377 (E_RNA)
where:
Base-Base interactions energy: -84.354
where: short stacking energy: -62.743
Base-Backbone interact. energy: 3.022
local terms energy: -172.078903
where:
bonds (distance) C4'-P energy: -46.455
bonds (distance) P-C4' energy: -67.848
flat angles C4'-P-C4' energy: -41.043
flat angles P-C4'-P energy: -30.605
tors. eta vs tors. theta energy: 13.872
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: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1095.999022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.999022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.999022 (E_RNA)
where:
Base-Base interactions energy: -751.280
where: short stacking energy: -300.967
Base-Backbone interact. energy: -0.512
local terms energy: -344.206823
where:
bonds (distance) C4'-P energy: -65.606
bonds (distance) P-C4' energy: -62.618
flat angles C4'-P-C4' energy: -76.782
flat angles P-C4'-P energy: -48.952
tors. eta vs tors. theta energy: -90.248
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: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1031.845457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.845457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.845457 (E_RNA)
where:
Base-Base interactions energy: -696.875
where: short stacking energy: -274.365
Base-Backbone interact. energy: 0.152
local terms energy: -335.122509
where:
bonds (distance) C4'-P energy: -63.948
bonds (distance) P-C4' energy: -60.418
flat angles C4'-P-C4' energy: -74.253
flat angles P-C4'-P energy: -46.547
tors. eta vs tors. theta energy: -89.957
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: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1002.954664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.954664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.954664 (E_RNA)
where:
Base-Base interactions energy: -662.958
where: short stacking energy: -297.000
Base-Backbone interact. energy: -0.155
local terms energy: -339.841798
where:
bonds (distance) C4'-P energy: -64.210
bonds (distance) P-C4' energy: -52.181
flat angles C4'-P-C4' energy: -72.893
flat angles P-C4'-P energy: -49.424
tors. eta vs tors. theta energy: -101.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -881.243597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.243597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.243597 (E_RNA)
where:
Base-Base interactions energy: -587.383
where: short stacking energy: -237.602
Base-Backbone interact. energy: -1.317
local terms energy: -292.543262
where:
bonds (distance) C4'-P energy: -48.259
bonds (distance) P-C4' energy: -65.874
flat angles C4'-P-C4' energy: -70.440
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -67.291
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: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -739.530095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.530095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.530095 (E_RNA)
where:
Base-Base interactions energy: -460.470
where: short stacking energy: -203.017
Base-Backbone interact. energy: -2.172
local terms energy: -276.888492
where:
bonds (distance) C4'-P energy: -54.691
bonds (distance) P-C4' energy: -62.909
flat angles C4'-P-C4' energy: -66.809
flat angles P-C4'-P energy: -45.737
tors. eta vs tors. theta energy: -46.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -678.238832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.238832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.238832 (E_RNA)
where:
Base-Base interactions energy: -409.636
where: short stacking energy: -199.575
Base-Backbone interact. energy: -1.543
local terms energy: -267.060206
where:
bonds (distance) C4'-P energy: -61.244
bonds (distance) P-C4' energy: -57.225
flat angles C4'-P-C4' energy: -64.527
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: -52.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -489.720983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.720983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.720983 (E_RNA)
where:
Base-Base interactions energy: -262.947
where: short stacking energy: -128.970
Base-Backbone interact. energy: 7.514
local terms energy: -234.287627
where:
bonds (distance) C4'-P energy: -64.268
bonds (distance) P-C4' energy: -65.071
flat angles C4'-P-C4' energy: -59.393
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -331.366091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.366091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.366091 (E_RNA)
where:
Base-Base interactions energy: -146.475
where: short stacking energy: -87.137
Base-Backbone interact. energy: -0.928
local terms energy: -183.962393
where:
bonds (distance) C4'-P energy: -51.548
bonds (distance) P-C4' energy: -48.854
flat angles C4'-P-C4' energy: -50.424
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -290.934768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.934768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.934768 (E_RNA)
where:
Base-Base interactions energy: -101.769
where: short stacking energy: -80.920
Base-Backbone interact. energy: -1.128
local terms energy: -188.037993
where:
bonds (distance) C4'-P energy: -48.924
bonds (distance) P-C4' energy: -62.246
flat angles C4'-P-C4' energy: -43.731
flat angles P-C4'-P energy: -32.328
tors. eta vs tors. theta energy: -0.808
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: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -262.063266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.063266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.063266 (E_RNA)
where:
Base-Base interactions energy: -60.377
where: short stacking energy: -43.367
Base-Backbone interact. energy: -0.018
local terms energy: -201.667791
where:
bonds (distance) C4'-P energy: -65.390
bonds (distance) P-C4' energy: -65.833
flat angles C4'-P-C4' energy: -42.596
flat angles P-C4'-P energy: -40.987
tors. eta vs tors. theta energy: 13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1047.967838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.967838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.967838 (E_RNA)
where:
Base-Base interactions energy: -701.666
where: short stacking energy: -291.762
Base-Backbone interact. energy: -0.001
local terms energy: -346.300739
where:
bonds (distance) C4'-P energy: -67.885
bonds (distance) P-C4' energy: -66.553
flat angles C4'-P-C4' energy: -67.780
flat angles P-C4'-P energy: -47.791
tors. eta vs tors. theta energy: -96.292
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1026.889855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.889855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.889855 (E_RNA)
where:
Base-Base interactions energy: -698.675
where: short stacking energy: -289.546
Base-Backbone interact. energy: 0.913
local terms energy: -329.127349
where:
bonds (distance) C4'-P energy: -60.393
bonds (distance) P-C4' energy: -60.291
flat angles C4'-P-C4' energy: -73.418
flat angles P-C4'-P energy: -35.836
tors. eta vs tors. theta energy: -99.189
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: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1027.758789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.758789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.758789 (E_RNA)
where:
Base-Base interactions energy: -670.979
where: short stacking energy: -302.105
Base-Backbone interact. energy: -0.771
local terms energy: -356.009448
where:
bonds (distance) C4'-P energy: -56.368
bonds (distance) P-C4' energy: -69.166
flat angles C4'-P-C4' energy: -71.751
flat angles P-C4'-P energy: -51.933
tors. eta vs tors. theta energy: -106.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -848.823264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.823264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.823264 (E_RNA)
where:
Base-Base interactions energy: -550.978
where: short stacking energy: -251.231
Base-Backbone interact. energy: -1.503
local terms energy: -296.342477
where:
bonds (distance) C4'-P energy: -57.005
bonds (distance) P-C4' energy: -59.101
flat angles C4'-P-C4' energy: -68.511
flat angles P-C4'-P energy: -38.254
tors. eta vs tors. theta energy: -73.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -757.816382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.816382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.816382 (E_RNA)
where:
Base-Base interactions energy: -466.047
where: short stacking energy: -223.416
Base-Backbone interact. energy: -3.469
local terms energy: -288.300941
where:
bonds (distance) C4'-P energy: -65.815
bonds (distance) P-C4' energy: -54.877
flat angles C4'-P-C4' energy: -70.588
flat angles P-C4'-P energy: -41.446
tors. eta vs tors. theta energy: -55.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -637.278121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.278121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.278121 (E_RNA)
where:
Base-Base interactions energy: -389.315
where: short stacking energy: -162.367
Base-Backbone interact. energy: -1.478
local terms energy: -246.485416
where:
bonds (distance) C4'-P energy: -59.511
bonds (distance) P-C4' energy: -51.463
flat angles C4'-P-C4' energy: -63.531
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -25.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -523.339911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.339911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.339911 (E_RNA)
where:
Base-Base interactions energy: -296.726
where: short stacking energy: -134.328
Base-Backbone interact. energy: -0.586
local terms energy: -226.028153
where:
bonds (distance) C4'-P energy: -63.245
bonds (distance) P-C4' energy: -61.594
flat angles C4'-P-C4' energy: -55.080
flat angles P-C4'-P energy: -35.561
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -282.479283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.479283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.479283 (E_RNA)
where:
Base-Base interactions energy: -92.276
where: short stacking energy: -78.522
Base-Backbone interact. energy: -3.897
local terms energy: -186.306423
where:
bonds (distance) C4'-P energy: -55.172
bonds (distance) P-C4' energy: -59.219
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -33.252
tors. eta vs tors. theta energy: 15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -269.082328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.082328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.082328 (E_RNA)
where:
Base-Base interactions energy: -93.271
where: short stacking energy: -63.669
Base-Backbone interact. energy: 2.355
local terms energy: -178.166251
where:
bonds (distance) C4'-P energy: -48.718
bonds (distance) P-C4' energy: -70.846
flat angles C4'-P-C4' energy: -49.234
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: 16.981
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: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -261.542097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.542097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.542097 (E_RNA)
where:
Base-Base interactions energy: -88.769
where: short stacking energy: -61.298
Base-Backbone interact. energy: -2.408
local terms energy: -170.364325
where:
bonds (distance) C4'-P energy: -44.014
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -53.418
flat angles P-C4'-P energy: -29.574
tors. eta vs tors. theta energy: 18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1056.122517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.122517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.122517 (E_RNA)
where:
Base-Base interactions energy: -698.967
where: short stacking energy: -301.176
Base-Backbone interact. energy: -2.746
local terms energy: -354.409876
where:
bonds (distance) C4'-P energy: -70.219
bonds (distance) P-C4' energy: -72.466
flat angles C4'-P-C4' energy: -72.409
flat angles P-C4'-P energy: -42.893
tors. eta vs tors. theta energy: -96.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1032.243266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.243266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.243266 (E_RNA)
where:
Base-Base interactions energy: -693.207
where: short stacking energy: -301.003
Base-Backbone interact. energy: -0.047
local terms energy: -338.988706
where:
bonds (distance) C4'-P energy: -59.643
bonds (distance) P-C4' energy: -62.116
flat angles C4'-P-C4' energy: -72.001
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -99.314
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: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1041.541822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.541822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.541822 (E_RNA)
where:
Base-Base interactions energy: -670.408
where: short stacking energy: -304.826
Base-Backbone interact. energy: -0.878
local terms energy: -370.256020
where:
bonds (distance) C4'-P energy: -70.102
bonds (distance) P-C4' energy: -73.358
flat angles C4'-P-C4' energy: -76.936
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -104.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -873.877074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.877074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.877074 (E_RNA)
where:
Base-Base interactions energy: -580.036
where: short stacking energy: -257.142
Base-Backbone interact. energy: -1.219
local terms energy: -292.621855
where:
bonds (distance) C4'-P energy: -59.184
bonds (distance) P-C4' energy: -56.646
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -44.506
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: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -766.800842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.800842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.800842 (E_RNA)
where:
Base-Base interactions energy: -493.712
where: short stacking energy: -208.804
Base-Backbone interact. energy: -1.169
local terms energy: -271.920157
where:
bonds (distance) C4'-P energy: -61.496
bonds (distance) P-C4' energy: -64.404
flat angles C4'-P-C4' energy: -63.099
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -58.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -694.958223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.958223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.958223 (E_RNA)
where:
Base-Base interactions energy: -445.693
where: short stacking energy: -198.096
Base-Backbone interact. energy: -0.282
local terms energy: -248.982749
where:
bonds (distance) C4'-P energy: -50.447
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -56.400
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -46.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -575.747660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.747660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.747660 (E_RNA)
where:
Base-Base interactions energy: -314.767
where: short stacking energy: -139.620
Base-Backbone interact. energy: -1.659
local terms energy: -259.321050
where:
bonds (distance) C4'-P energy: -59.422
bonds (distance) P-C4' energy: -70.891
flat angles C4'-P-C4' energy: -56.681
flat angles P-C4'-P energy: -41.082
tors. eta vs tors. theta energy: -31.245
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: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -311.941297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.941297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.941297 (E_RNA)
where:
Base-Base interactions energy: -129.726
where: short stacking energy: -75.523
Base-Backbone interact. energy: 7.106
local terms energy: -189.321526
where:
bonds (distance) C4'-P energy: -61.506
bonds (distance) P-C4' energy: -64.086
flat angles C4'-P-C4' energy: -50.728
flat angles P-C4'-P energy: -26.644
tors. eta vs tors. theta energy: 13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -281.289038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.289038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.289038 (E_RNA)
where:
Base-Base interactions energy: -77.696
where: short stacking energy: -62.312
Base-Backbone interact. energy: 0.907
local terms energy: -204.499863
where:
bonds (distance) C4'-P energy: -61.522
bonds (distance) P-C4' energy: -58.041
flat angles C4'-P-C4' energy: -52.186
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: 4.603
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: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -261.510575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.510575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.510575 (E_RNA)
where:
Base-Base interactions energy: -76.485
where: short stacking energy: -69.972
Base-Backbone interact. energy: -1.785
local terms energy: -183.240225
where:
bonds (distance) C4'-P energy: -55.533
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -48.713
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: 4.877
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: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1043.933376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.933376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.933376 (E_RNA)
where:
Base-Base interactions energy: -680.329
where: short stacking energy: -283.548
Base-Backbone interact. energy: 0.592
local terms energy: -364.196248
where:
bonds (distance) C4'-P energy: -74.553
bonds (distance) P-C4' energy: -73.448
flat angles C4'-P-C4' energy: -73.899
flat angles P-C4'-P energy: -44.572
tors. eta vs tors. theta energy: -97.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1056.025837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.025837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.025837 (E_RNA)
where:
Base-Base interactions energy: -696.686
where: short stacking energy: -302.268
Base-Backbone interact. energy: -0.034
local terms energy: -359.305571
where:
bonds (distance) C4'-P energy: -66.159
bonds (distance) P-C4' energy: -73.304
flat angles C4'-P-C4' energy: -73.861
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -104.594
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: 172
Temperature: 1.000000
Total energy: -1011.846805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.846805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.846805 (E_RNA)
where:
Base-Base interactions energy: -692.987
where: short stacking energy: -279.459
Base-Backbone interact. energy: -1.672
local terms energy: -317.187696
where:
bonds (distance) C4'-P energy: -54.937
bonds (distance) P-C4' energy: -57.257
flat angles C4'-P-C4' energy: -63.107
flat angles P-C4'-P energy: -47.896
tors. eta vs tors. theta energy: -93.991
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: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -854.000324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.000324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.000324 (E_RNA)
where:
Base-Base interactions energy: -554.746
where: short stacking energy: -230.417
Base-Backbone interact. energy: 0.181
local terms energy: -299.435853
where:
bonds (distance) C4'-P energy: -57.358
bonds (distance) P-C4' energy: -68.454
flat angles C4'-P-C4' energy: -69.457
flat angles P-C4'-P energy: -38.131
tors. eta vs tors. theta energy: -66.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -747.911697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.911697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.911697 (E_RNA)
where:
Base-Base interactions energy: -447.193
where: short stacking energy: -199.124
Base-Backbone interact. energy: 0.435
local terms energy: -301.153442
where:
bonds (distance) C4'-P energy: -71.732
bonds (distance) P-C4' energy: -62.702
flat angles C4'-P-C4' energy: -63.787
flat angles P-C4'-P energy: -52.217
tors. eta vs tors. theta energy: -50.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -704.346169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.346169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.346169 (E_RNA)
where:
Base-Base interactions energy: -443.410
where: short stacking energy: -164.129
Base-Backbone interact. energy: 4.221
local terms energy: -265.156902
where:
bonds (distance) C4'-P energy: -56.795
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -57.754
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -47.582
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: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -596.092814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.092814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.092814 (E_RNA)
where:
Base-Base interactions energy: -339.898
where: short stacking energy: -167.120
Base-Backbone interact. energy: -0.260
local terms energy: -255.934590
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -67.513
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -35.968
tors. eta vs tors. theta energy: -40.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -286.089180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.089180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.089180 (E_RNA)
where:
Base-Base interactions energy: -89.308
where: short stacking energy: -64.236
Base-Backbone interact. energy: 0.454
local terms energy: -197.235734
where:
bonds (distance) C4'-P energy: -66.563
bonds (distance) P-C4' energy: -65.671
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -32.650
tors. eta vs tors. theta energy: 15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -277.533928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.533928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.533928 (E_RNA)
where:
Base-Base interactions energy: -82.775
where: short stacking energy: -79.336
Base-Backbone interact. energy: 0.339
local terms energy: -195.097082
where:
bonds (distance) C4'-P energy: -38.549
bonds (distance) P-C4' energy: -68.110
flat angles C4'-P-C4' energy: -48.638
flat angles P-C4'-P energy: -38.622
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -277.096814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.096814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.096814 (E_RNA)
where:
Base-Base interactions energy: -106.875
where: short stacking energy: -62.926
Base-Backbone interact. energy: -1.957
local terms energy: -168.264420
where:
bonds (distance) C4'-P energy: -52.708
bonds (distance) P-C4' energy: -62.913
flat angles C4'-P-C4' energy: -44.956
flat angles P-C4'-P energy: -28.444
tors. eta vs tors. theta energy: 20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1042.227179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.227179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.227179 (E_RNA)
where:
Base-Base interactions energy: -696.592
where: short stacking energy: -298.351
Base-Backbone interact. energy: -0.456
local terms energy: -345.179584
where:
bonds (distance) C4'-P energy: -67.243
bonds (distance) P-C4' energy: -66.878
flat angles C4'-P-C4' energy: -70.537
flat angles P-C4'-P energy: -48.136
tors. eta vs tors. theta energy: -92.386
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: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1047.870682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.870682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.870682 (E_RNA)
where:
Base-Base interactions energy: -700.005
where: short stacking energy: -313.415
Base-Backbone interact. energy: -0.192
local terms energy: -347.673768
where:
bonds (distance) C4'-P energy: -69.214
bonds (distance) P-C4' energy: -56.997
flat angles C4'-P-C4' energy: -78.378
flat angles P-C4'-P energy: -34.323
tors. eta vs tors. theta energy: -108.761
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1020.960112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.960112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.960112 (E_RNA)
where:
Base-Base interactions energy: -708.774
where: short stacking energy: -281.993
Base-Backbone interact. energy: -3.042
local terms energy: -309.143899
where:
bonds (distance) C4'-P energy: -59.307
bonds (distance) P-C4' energy: -55.946
flat angles C4'-P-C4' energy: -68.100
flat angles P-C4'-P energy: -39.811
tors. eta vs tors. theta energy: -85.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -863.193001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.193001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.193001 (E_RNA)
where:
Base-Base interactions energy: -566.520
where: short stacking energy: -256.940
Base-Backbone interact. energy: -0.348
local terms energy: -296.324665
where:
bonds (distance) C4'-P energy: -54.571
bonds (distance) P-C4' energy: -63.225
flat angles C4'-P-C4' energy: -63.898
flat angles P-C4'-P energy: -48.194
tors. eta vs tors. theta energy: -66.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -702.770500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.770500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.770500 (E_RNA)
where:
Base-Base interactions energy: -427.106
where: short stacking energy: -190.445
Base-Backbone interact. energy: 0.163
local terms energy: -275.827843
where:
bonds (distance) C4'-P energy: -62.041
bonds (distance) P-C4' energy: -65.755
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -34.247
tors. eta vs tors. theta energy: -53.435
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: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -684.141935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.141935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.141935 (E_RNA)
where:
Base-Base interactions energy: -413.304
where: short stacking energy: -170.911
Base-Backbone interact. energy: -0.394
local terms energy: -270.444091
where:
bonds (distance) C4'-P energy: -65.105
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -58.296
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: -47.791
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: 173
Temperature: 1.200000
Total energy: -520.769686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.769686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.769686 (E_RNA)
where:
Base-Base interactions energy: -273.921
where: short stacking energy: -139.592
Base-Backbone interact. energy: 3.362
local terms energy: -250.855595
where:
bonds (distance) C4'-P energy: -57.390
bonds (distance) P-C4' energy: -69.123
flat angles C4'-P-C4' energy: -51.245
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.645 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -372.920491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.920491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.920491 (E_RNA)
where:
Base-Base interactions energy: -157.040
where: short stacking energy: -93.443
Base-Backbone interact. energy: 1.118
local terms energy: -216.998809
where:
bonds (distance) C4'-P energy: -62.312
bonds (distance) P-C4' energy: -65.640
flat angles C4'-P-C4' energy: -52.239
flat angles P-C4'-P energy: -31.982
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -292.058355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.058355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.058355 (E_RNA)
where:
Base-Base interactions energy: -85.159
where: short stacking energy: -68.368
Base-Backbone interact. energy: -1.450
local terms energy: -205.449393
where:
bonds (distance) C4'-P energy: -63.721
bonds (distance) P-C4' energy: -58.671
flat angles C4'-P-C4' energy: -53.237
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: 3.861
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: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -247.624688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.624688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.624688 (E_RNA)
where:
Base-Base interactions energy: -65.186
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.334
local terms energy: -182.299752
where:
bonds (distance) C4'-P energy: -51.751
bonds (distance) P-C4' energy: -62.223
flat angles C4'-P-C4' energy: -49.788
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: 8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.195 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1093.127106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.127106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.127106 (E_RNA)
where:
Base-Base interactions energy: -723.112
where: short stacking energy: -326.779
Base-Backbone interact. energy: -1.205
local terms energy: -368.809774
where:
bonds (distance) C4'-P energy: -74.822
bonds (distance) P-C4' energy: -56.965
flat angles C4'-P-C4' energy: -77.478
flat angles P-C4'-P energy: -50.145
tors. eta vs tors. theta energy: -109.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1031.788719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.788719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.788719 (E_RNA)
where:
Base-Base interactions energy: -698.821
where: short stacking energy: -298.111
Base-Backbone interact. energy: -1.535
local terms energy: -331.432178
where:
bonds (distance) C4'-P energy: -67.582
bonds (distance) P-C4' energy: -61.124
flat angles C4'-P-C4' energy: -68.867
flat angles P-C4'-P energy: -43.328
tors. eta vs tors. theta energy: -90.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1012.650236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.650236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.650236 (E_RNA)
where:
Base-Base interactions energy: -681.390
where: short stacking energy: -301.934
Base-Backbone interact. energy: -2.418
local terms energy: -328.842625
where:
bonds (distance) C4'-P energy: -57.943
bonds (distance) P-C4' energy: -65.084
flat angles C4'-P-C4' energy: -72.453
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: -89.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -874.008364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.008364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.008364 (E_RNA)
where:
Base-Base interactions energy: -579.606
where: short stacking energy: -253.309
Base-Backbone interact. energy: 1.611
local terms energy: -296.013272
where:
bonds (distance) C4'-P energy: -52.918
bonds (distance) P-C4' energy: -68.009
flat angles C4'-P-C4' energy: -59.803
flat angles P-C4'-P energy: -45.015
tors. eta vs tors. theta energy: -70.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -724.278535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.278535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.278535 (E_RNA)
where:
Base-Base interactions energy: -441.283
where: short stacking energy: -207.211
Base-Backbone interact. energy: -1.170
local terms energy: -281.825579
where:
bonds (distance) C4'-P energy: -56.927
bonds (distance) P-C4' energy: -67.780
flat angles C4'-P-C4' energy: -59.311
flat angles P-C4'-P energy: -43.158
tors. eta vs tors. theta energy: -54.649
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: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -683.090112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.090112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.090112 (E_RNA)
where:
Base-Base interactions energy: -417.276
where: short stacking energy: -188.575
Base-Backbone interact. energy: 3.443
local terms energy: -269.257579
where:
bonds (distance) C4'-P energy: -68.488
bonds (distance) P-C4' energy: -55.486
flat angles C4'-P-C4' energy: -65.292
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -45.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -569.358284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.358284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.358284 (E_RNA)
where:
Base-Base interactions energy: -323.438
where: short stacking energy: -150.995
Base-Backbone interact. energy: -0.965
local terms energy: -244.955196
where:
bonds (distance) C4'-P energy: -68.699
bonds (distance) P-C4' energy: -66.587
flat angles C4'-P-C4' energy: -60.990
flat angles P-C4'-P energy: -32.879
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -312.553034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.553034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.553034 (E_RNA)
where:
Base-Base interactions energy: -123.674
where: short stacking energy: -73.366
Base-Backbone interact. energy: -1.598
local terms energy: -187.281173
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -66.137
flat angles C4'-P-C4' energy: -39.601
flat angles P-C4'-P energy: -29.098
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -265.431248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.431248 (E_RNA)
where:
Base-Base interactions energy: -94.831
where: short stacking energy: -66.809
Base-Backbone interact. energy: -0.142
local terms energy: -170.666319
where:
bonds (distance) C4'-P energy: -50.086
bonds (distance) P-C4' energy: -50.244
flat angles C4'-P-C4' energy: -58.670
flat angles P-C4'-P energy: -25.118
tors. eta vs tors. theta energy: 13.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.208 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -253.380799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.380799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.380799 (E_RNA)
where:
Base-Base interactions energy: -73.986
where: short stacking energy: -57.470
Base-Backbone interact. energy: -1.066
local terms energy: -178.328812
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -53.443
flat angles C4'-P-C4' energy: -42.408
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: 11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1073.845680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.845680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.845680 (E_RNA)
where:
Base-Base interactions energy: -712.027
where: short stacking energy: -323.093
Base-Backbone interact. energy: -0.582
local terms energy: -361.236043
where:
bonds (distance) C4'-P energy: -68.259
bonds (distance) P-C4' energy: -70.973
flat angles C4'-P-C4' energy: -71.610
flat angles P-C4'-P energy: -41.670
tors. eta vs tors. theta energy: -108.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1031.921976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.921976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.921976 (E_RNA)
where:
Base-Base interactions energy: -689.219
where: short stacking energy: -294.587
Base-Backbone interact. energy: -1.704
local terms energy: -340.998114
where:
bonds (distance) C4'-P energy: -65.119
bonds (distance) P-C4' energy: -58.857
flat angles C4'-P-C4' energy: -73.847
flat angles P-C4'-P energy: -46.211
tors. eta vs tors. theta energy: -96.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -983.110356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.110356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.110356 (E_RNA)
where:
Base-Base interactions energy: -654.260
where: short stacking energy: -265.998
Base-Backbone interact. energy: 0.074
local terms energy: -328.923745
where:
bonds (distance) C4'-P energy: -58.055
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -72.099
flat angles P-C4'-P energy: -46.127
tors. eta vs tors. theta energy: -97.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -838.442384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.442384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.442384 (E_RNA)
where:
Base-Base interactions energy: -557.180
where: short stacking energy: -230.554
Base-Backbone interact. energy: -2.841
local terms energy: -278.421422
where:
bonds (distance) C4'-P energy: -43.560
bonds (distance) P-C4' energy: -60.021
flat angles C4'-P-C4' energy: -67.384
flat angles P-C4'-P energy: -42.184
tors. eta vs tors. theta energy: -65.272
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: 175
Temperature: 1.100000
Total energy: -755.876493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.876493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.876493 (E_RNA)
where:
Base-Base interactions energy: -469.555
where: short stacking energy: -212.725
Base-Backbone interact. energy: -0.571
local terms energy: -285.750414
where:
bonds (distance) C4'-P energy: -63.645
bonds (distance) P-C4' energy: -57.294
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -47.494
tors. eta vs tors. theta energy: -67.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -654.176336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.176336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.176336 (E_RNA)
where:
Base-Base interactions energy: -419.453
where: short stacking energy: -190.051
Base-Backbone interact. energy: 0.153
local terms energy: -234.876901
where:
bonds (distance) C4'-P energy: -49.026
bonds (distance) P-C4' energy: -58.574
flat angles C4'-P-C4' energy: -52.100
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -48.311
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: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -536.031391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.031391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.031391 (E_RNA)
where:
Base-Base interactions energy: -307.032
where: short stacking energy: -120.345
Base-Backbone interact. energy: 0.249
local terms energy: -231.513693
where:
bonds (distance) C4'-P energy: -53.013
bonds (distance) P-C4' energy: -67.521
flat angles C4'-P-C4' energy: -69.127
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.265 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -372.435113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.435113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.435113 (E_RNA)
where:
Base-Base interactions energy: -141.801
where: short stacking energy: -77.949
Base-Backbone interact. energy: 4.271
local terms energy: -234.905241
where:
bonds (distance) C4'-P energy: -66.015
bonds (distance) P-C4' energy: -74.898
flat angles C4'-P-C4' energy: -64.577
flat angles P-C4'-P energy: -35.262
tors. eta vs tors. theta energy: 5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -294.475380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.475380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.475380 (E_RNA)
where:
Base-Base interactions energy: -117.907
where: short stacking energy: -102.229
Base-Backbone interact. energy: 4.567
local terms energy: -181.134772
where:
bonds (distance) C4'-P energy: -44.753
bonds (distance) P-C4' energy: -61.901
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -26.234
tors. eta vs tors. theta energy: -2.656
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: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -279.026439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.026439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.026439 (E_RNA)
where:
Base-Base interactions energy: -101.851
where: short stacking energy: -84.479
Base-Backbone interact. energy: -1.868
local terms energy: -175.307316
where:
bonds (distance) C4'-P energy: -55.599
bonds (distance) P-C4' energy: -59.644
flat angles C4'-P-C4' energy: -42.063
flat angles P-C4'-P energy: -32.352
tors. eta vs tors. theta energy: 14.351
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: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1068.487712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.487712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.487712 (E_RNA)
where:
Base-Base interactions energy: -703.358
where: short stacking energy: -295.189
Base-Backbone interact. energy: -0.026
local terms energy: -365.103320
where:
bonds (distance) C4'-P energy: -73.843
bonds (distance) P-C4' energy: -77.106
flat angles C4'-P-C4' energy: -80.058
flat angles P-C4'-P energy: -42.436
tors. eta vs tors. theta energy: -91.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1049.698793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.698793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.698793 (E_RNA)
where:
Base-Base interactions energy: -688.651
where: short stacking energy: -308.562
Base-Backbone interact. energy: 0.930
local terms energy: -361.978469
where:
bonds (distance) C4'-P energy: -63.811
bonds (distance) P-C4' energy: -61.534
flat angles C4'-P-C4' energy: -74.365
flat angles P-C4'-P energy: -59.262
tors. eta vs tors. theta energy: -103.007
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: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1000.167983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.167983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.167983 (E_RNA)
where:
Base-Base interactions energy: -659.616
where: short stacking energy: -300.212
Base-Backbone interact. energy: -2.165
local terms energy: -338.387157
where:
bonds (distance) C4'-P energy: -48.284
bonds (distance) P-C4' energy: -75.841
flat angles C4'-P-C4' energy: -68.372
flat angles P-C4'-P energy: -48.030
tors. eta vs tors. theta energy: -97.861
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: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -861.745778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.745778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.745778 (E_RNA)
where:
Base-Base interactions energy: -572.116
where: short stacking energy: -233.863
Base-Backbone interact. energy: -2.200
local terms energy: -287.430199
where:
bonds (distance) C4'-P energy: -66.093
bonds (distance) P-C4' energy: -64.743
flat angles C4'-P-C4' energy: -55.078
flat angles P-C4'-P energy: -31.204
tors. eta vs tors. theta energy: -70.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -793.603193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.603193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.603193 (E_RNA)
where:
Base-Base interactions energy: -486.405
where: short stacking energy: -207.918
Base-Backbone interact. energy: -0.300
local terms energy: -306.898172
where:
bonds (distance) C4'-P energy: -66.319
bonds (distance) P-C4' energy: -70.893
flat angles C4'-P-C4' energy: -60.544
flat angles P-C4'-P energy: -45.583
tors. eta vs tors. theta energy: -63.559
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: 176
Temperature: 1.150000
Total energy: -654.380147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.380147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.380147 (E_RNA)
where:
Base-Base interactions energy: -385.635
where: short stacking energy: -172.730
Base-Backbone interact. energy: -1.054
local terms energy: -267.690649
where:
bonds (distance) C4'-P energy: -57.699
bonds (distance) P-C4' energy: -70.990
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -35.329
tors. eta vs tors. theta energy: -36.091
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: 176
Temperature: 1.200000
Total energy: -522.609542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.609542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.609542 (E_RNA)
where:
Base-Base interactions energy: -306.132
where: short stacking energy: -138.616
Base-Backbone interact. energy: -0.809
local terms energy: -215.668527
where:
bonds (distance) C4'-P energy: -46.612
bonds (distance) P-C4' energy: -61.037
flat angles C4'-P-C4' energy: -50.534
flat angles P-C4'-P energy: -39.152
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -334.220961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.220961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.220961 (E_RNA)
where:
Base-Base interactions energy: -149.762
where: short stacking energy: -95.432
Base-Backbone interact. energy: -3.078
local terms energy: -181.381270
where:
bonds (distance) C4'-P energy: -51.300
bonds (distance) P-C4' energy: -60.252
flat angles C4'-P-C4' energy: -58.923
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: 7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -285.353911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.353911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.353911 (E_RNA)
where:
Base-Base interactions energy: -98.495
where: short stacking energy: -53.425
Base-Backbone interact. energy: -1.204
local terms energy: -185.654941
where:
bonds (distance) C4'-P energy: -47.216
bonds (distance) P-C4' energy: -64.259
flat angles C4'-P-C4' energy: -57.013
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: 8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -275.907899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.907899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.907899 (E_RNA)
where:
Base-Base interactions energy: -105.169
where: short stacking energy: -82.534
Base-Backbone interact. energy: -0.301
local terms energy: -170.438319
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -59.478
flat angles C4'-P-C4' energy: -48.316
flat angles P-C4'-P energy: -35.471
tors. eta vs tors. theta energy: 7.760
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: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1064.488029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.488029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.488029 (E_RNA)
where:
Base-Base interactions energy: -711.183
where: short stacking energy: -307.587
Base-Backbone interact. energy: -1.969
local terms energy: -352.112466
where:
bonds (distance) C4'-P energy: -65.379
bonds (distance) P-C4' energy: -66.608
flat angles C4'-P-C4' energy: -75.836
flat angles P-C4'-P energy: -46.373
tors. eta vs tors. theta energy: -97.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.776 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1038.299065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.299065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.299065 (E_RNA)
where:
Base-Base interactions energy: -696.645
where: short stacking energy: -299.688
Base-Backbone interact. energy: -0.528
local terms energy: -341.126728
where:
bonds (distance) C4'-P energy: -61.944
bonds (distance) P-C4' energy: -68.244
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -37.716
tors. eta vs tors. theta energy: -100.839
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: 177
Temperature: 1.000000
Total energy: -1018.784324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.784324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.784324 (E_RNA)
where:
Base-Base interactions energy: -666.995
where: short stacking energy: -268.192
Base-Backbone interact. energy: -1.626
local terms energy: -350.163343
where:
bonds (distance) C4'-P energy: -63.881
bonds (distance) P-C4' energy: -68.898
flat angles C4'-P-C4' energy: -77.261
flat angles P-C4'-P energy: -51.147
tors. eta vs tors. theta energy: -88.977
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: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -866.755195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.755195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.755195 (E_RNA)
where:
Base-Base interactions energy: -570.068
where: short stacking energy: -229.866
Base-Backbone interact. energy: -1.382
local terms energy: -295.304950
where:
bonds (distance) C4'-P energy: -67.093
bonds (distance) P-C4' energy: -65.161
flat angles C4'-P-C4' energy: -62.619
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -70.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -762.505532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.505532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.505532 (E_RNA)
where:
Base-Base interactions energy: -477.913
where: short stacking energy: -202.363
Base-Backbone interact. energy: -3.004
local terms energy: -281.588992
where:
bonds (distance) C4'-P energy: -61.065
bonds (distance) P-C4' energy: -61.079
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -46.021
tors. eta vs tors. theta energy: -53.291
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: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -645.787664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.787664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.787664 (E_RNA)
where:
Base-Base interactions energy: -384.872
where: short stacking energy: -168.855
Base-Backbone interact. energy: -2.184
local terms energy: -258.731896
where:
bonds (distance) C4'-P energy: -71.584
bonds (distance) P-C4' energy: -50.911
flat angles C4'-P-C4' energy: -59.274
flat angles P-C4'-P energy: -36.890
tors. eta vs tors. theta energy: -40.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -489.075022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.075022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.075022 (E_RNA)
where:
Base-Base interactions energy: -265.065
where: short stacking energy: -139.367
Base-Backbone interact. energy: -1.880
local terms energy: -222.129949
where:
bonds (distance) C4'-P energy: -63.802
bonds (distance) P-C4' energy: -48.956
flat angles C4'-P-C4' energy: -62.433
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -330.204957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.204957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.204957 (E_RNA)
where:
Base-Base interactions energy: -142.152
where: short stacking energy: -83.309
Base-Backbone interact. energy: -1.104
local terms energy: -186.948264
where:
bonds (distance) C4'-P energy: -60.260
bonds (distance) P-C4' energy: -49.197
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -40.345
tors. eta vs tors. theta energy: 12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -295.059707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.059707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.059707 (E_RNA)
where:
Base-Base interactions energy: -122.893
where: short stacking energy: -88.315
Base-Backbone interact. energy: 4.797
local terms energy: -176.963626
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -53.801
flat angles C4'-P-C4' energy: -42.032
flat angles P-C4'-P energy: -31.670
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -252.594162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.594162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.594162 (E_RNA)
where:
Base-Base interactions energy: -77.839
where: short stacking energy: -51.789
Base-Backbone interact. energy: 0.146
local terms energy: -174.922638
where:
bonds (distance) C4'-P energy: -57.800
bonds (distance) P-C4' energy: -56.035
flat angles C4'-P-C4' energy: -58.297
flat angles P-C4'-P energy: -23.060
tors. eta vs tors. theta energy: 20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.022 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1073.810527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.810527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.810527 (E_RNA)
where:
Base-Base interactions energy: -729.167
where: short stacking energy: -300.991
Base-Backbone interact. energy: -1.377
local terms energy: -343.267107
where:
bonds (distance) C4'-P energy: -64.416
bonds (distance) P-C4' energy: -62.255
flat angles C4'-P-C4' energy: -73.485
flat angles P-C4'-P energy: -44.286
tors. eta vs tors. theta energy: -98.826
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: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1036.116502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.116502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.116502 (E_RNA)
where:
Base-Base interactions energy: -688.671
where: short stacking energy: -296.706
Base-Backbone interact. energy: -1.081
local terms energy: -346.364183
where:
bonds (distance) C4'-P energy: -63.636
bonds (distance) P-C4' energy: -62.112
flat angles C4'-P-C4' energy: -72.248
flat angles P-C4'-P energy: -49.422
tors. eta vs tors. theta energy: -98.946
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: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -993.244884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.244884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.244884 (E_RNA)
where:
Base-Base interactions energy: -670.786
where: short stacking energy: -292.778
Base-Backbone interact. energy: -1.439
local terms energy: -321.020046
where:
bonds (distance) C4'-P energy: -59.928
bonds (distance) P-C4' energy: -61.897
flat angles C4'-P-C4' energy: -67.775
flat angles P-C4'-P energy: -46.473
tors. eta vs tors. theta energy: -84.947
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: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -912.901258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.901258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.901258 (E_RNA)
where:
Base-Base interactions energy: -612.511
where: short stacking energy: -252.417
Base-Backbone interact. energy: 3.281
local terms energy: -303.671389
where:
bonds (distance) C4'-P energy: -63.444
bonds (distance) P-C4' energy: -55.965
flat angles C4'-P-C4' energy: -64.879
flat angles P-C4'-P energy: -49.407
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: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -765.158584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.158584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.158584 (E_RNA)
where:
Base-Base interactions energy: -468.300
where: short stacking energy: -205.282
Base-Backbone interact. energy: 0.340
local terms energy: -297.198188
where:
bonds (distance) C4'-P energy: -65.612
bonds (distance) P-C4' energy: -70.873
flat angles C4'-P-C4' energy: -67.709
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -49.459
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: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -653.029690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.029690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.029690 (E_RNA)
where:
Base-Base interactions energy: -376.446
where: short stacking energy: -180.112
Base-Backbone interact. energy: -0.829
local terms energy: -275.754772
where:
bonds (distance) C4'-P energy: -53.726
bonds (distance) P-C4' energy: -76.931
flat angles C4'-P-C4' energy: -49.957
flat angles P-C4'-P energy: -42.930
tors. eta vs tors. theta energy: -52.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -513.648432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.648432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.648432 (E_RNA)
where:
Base-Base interactions energy: -288.263
where: short stacking energy: -136.179
Base-Backbone interact. energy: -0.844
local terms energy: -224.541624
where:
bonds (distance) C4'-P energy: -56.291
bonds (distance) P-C4' energy: -58.331
flat angles C4'-P-C4' energy: -53.805
flat angles P-C4'-P energy: -34.857
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -316.777764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.777764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.777764 (E_RNA)
where:
Base-Base interactions energy: -105.436
where: short stacking energy: -75.207
Base-Backbone interact. energy: -0.193
local terms energy: -211.148612
where:
bonds (distance) C4'-P energy: -51.899
bonds (distance) P-C4' energy: -59.568
flat angles C4'-P-C4' energy: -61.177
flat angles P-C4'-P energy: -41.403
tors. eta vs tors. theta energy: 2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -305.533995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.533995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.533995 (E_RNA)
where:
Base-Base interactions energy: -144.889
where: short stacking energy: -92.153
Base-Backbone interact. energy: -2.019
local terms energy: -158.625620
where:
bonds (distance) C4'-P energy: -53.341
bonds (distance) P-C4' energy: -51.613
flat angles C4'-P-C4' energy: -47.242
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: 12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -263.214367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.214367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.214367 (E_RNA)
where:
Base-Base interactions energy: -97.017
where: short stacking energy: -81.303
Base-Backbone interact. energy: 2.491
local terms energy: -168.688348
where:
bonds (distance) C4'-P energy: -48.422
bonds (distance) P-C4' energy: -54.014
flat angles C4'-P-C4' energy: -55.461
flat angles P-C4'-P energy: -30.487
tors. eta vs tors. theta energy: 19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1077.828615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.828615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.828615 (E_RNA)
where:
Base-Base interactions energy: -735.745
where: short stacking energy: -291.375
Base-Backbone interact. energy: -2.889
local terms energy: -339.195292
where:
bonds (distance) C4'-P energy: -58.615
bonds (distance) P-C4' energy: -61.716
flat angles C4'-P-C4' energy: -70.348
flat angles P-C4'-P energy: -46.387
tors. eta vs tors. theta energy: -102.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1042.363767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.363767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.363767 (E_RNA)
where:
Base-Base interactions energy: -689.993
where: short stacking energy: -299.756
Base-Backbone interact. energy: -0.075
local terms energy: -352.294991
where:
bonds (distance) C4'-P energy: -66.027
bonds (distance) P-C4' energy: -66.359
flat angles C4'-P-C4' energy: -69.799
flat angles P-C4'-P energy: -45.283
tors. eta vs tors. theta energy: -104.827
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: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1022.507139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.507139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.507139 (E_RNA)
where:
Base-Base interactions energy: -693.875
where: short stacking energy: -286.558
Base-Backbone interact. energy: -0.367
local terms energy: -328.264927
where:
bonds (distance) C4'-P energy: -70.925
bonds (distance) P-C4' energy: -52.659
flat angles C4'-P-C4' energy: -71.639
flat angles P-C4'-P energy: -41.194
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: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -887.434961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.434961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.434961 (E_RNA)
where:
Base-Base interactions energy: -598.487
where: short stacking energy: -271.599
Base-Backbone interact. energy: -1.346
local terms energy: -287.602494
where:
bonds (distance) C4'-P energy: -54.311
bonds (distance) P-C4' energy: -57.858
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -36.547
tors. eta vs tors. theta energy: -73.232
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: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -782.075127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.075127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.075127 (E_RNA)
where:
Base-Base interactions energy: -509.500
where: short stacking energy: -209.419
Base-Backbone interact. energy: -1.099
local terms energy: -271.475606
where:
bonds (distance) C4'-P energy: -60.120
bonds (distance) P-C4' energy: -61.711
flat angles C4'-P-C4' energy: -58.495
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: -57.313
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: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -691.249372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.249372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.249372 (E_RNA)
where:
Base-Base interactions energy: -399.458
where: short stacking energy: -183.109
Base-Backbone interact. energy: -0.315
local terms energy: -291.476002
where:
bonds (distance) C4'-P energy: -66.072
bonds (distance) P-C4' energy: -68.957
flat angles C4'-P-C4' energy: -71.134
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -43.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -537.464978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.464978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.464978 (E_RNA)
where:
Base-Base interactions energy: -305.406
where: short stacking energy: -130.080
Base-Backbone interact. energy: -0.553
local terms energy: -231.505973
where:
bonds (distance) C4'-P energy: -60.274
bonds (distance) P-C4' energy: -61.952
flat angles C4'-P-C4' energy: -47.202
flat angles P-C4'-P energy: -43.522
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -322.342625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.342625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.342625 (E_RNA)
where:
Base-Base interactions energy: -128.966
where: short stacking energy: -93.101
Base-Backbone interact. energy: -1.122
local terms energy: -192.778439
where:
bonds (distance) C4'-P energy: -47.820
bonds (distance) P-C4' energy: -55.200
flat angles C4'-P-C4' energy: -53.951
flat angles P-C4'-P energy: -33.458
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.524 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -314.714001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.714001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.714001 (E_RNA)
where:
Base-Base interactions energy: -130.381
where: short stacking energy: -96.521
Base-Backbone interact. energy: -2.922
local terms energy: -181.410186
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -254.821992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.821992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.821992 (E_RNA)
where:
Base-Base interactions energy: -80.452
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.908
local terms energy: -173.461632
where:
bonds (distance) C4'-P energy: -56.479
bonds (distance) P-C4' energy: -59.886
flat angles C4'-P-C4' energy: -44.947
flat angles P-C4'-P energy: -23.653
tors. eta vs tors. theta energy: 11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1081.800932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.800932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.800932 (E_RNA)
where:
Base-Base interactions energy: -734.363
where: short stacking energy: -281.569
Base-Backbone interact. energy: -3.050
local terms energy: -344.387961
where:
bonds (distance) C4'-P energy: -63.064
bonds (distance) P-C4' energy: -61.032
flat angles C4'-P-C4' energy: -75.283
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -96.710
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: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1062.025335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.025335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.025335 (E_RNA)
where:
Base-Base interactions energy: -700.221
where: short stacking energy: -318.380
Base-Backbone interact. energy: -0.713
local terms energy: -361.091250
where:
bonds (distance) C4'-P energy: -65.769
bonds (distance) P-C4' energy: -71.291
flat angles C4'-P-C4' energy: -72.457
flat angles P-C4'-P energy: -45.116
tors. eta vs tors. theta energy: -106.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1003.803016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.803016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.803016 (E_RNA)
where:
Base-Base interactions energy: -664.093
where: short stacking energy: -260.029
Base-Backbone interact. energy: -1.613
local terms energy: -338.096889
where:
bonds (distance) C4'-P energy: -68.628
bonds (distance) P-C4' energy: -74.756
flat angles C4'-P-C4' energy: -73.440
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -83.573
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: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -875.773882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.773882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.773882 (E_RNA)
where:
Base-Base interactions energy: -560.005
where: short stacking energy: -222.432
Base-Backbone interact. energy: -2.077
local terms energy: -313.691345
where:
bonds (distance) C4'-P energy: -62.925
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -75.998
flat angles P-C4'-P energy: -39.057
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: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -799.540910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.540910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.540910 (E_RNA)
where:
Base-Base interactions energy: -500.010
where: short stacking energy: -240.122
Base-Backbone interact. energy: 2.083
local terms energy: -301.613656
where:
bonds (distance) C4'-P energy: -61.440
bonds (distance) P-C4' energy: -59.221
flat angles C4'-P-C4' energy: -67.390
flat angles P-C4'-P energy: -46.144
tors. eta vs tors. theta energy: -67.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -619.644929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.644929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.644929 (E_RNA)
where:
Base-Base interactions energy: -362.796
where: short stacking energy: -160.471
Base-Backbone interact. energy: -2.903
local terms energy: -253.945324
where:
bonds (distance) C4'-P energy: -66.652
bonds (distance) P-C4' energy: -67.570
flat angles C4'-P-C4' energy: -62.610
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -32.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -484.049508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.049508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.049508 (E_RNA)
where:
Base-Base interactions energy: -277.592
where: short stacking energy: -105.807
Base-Backbone interact. energy: -1.579
local terms energy: -204.878414
where:
bonds (distance) C4'-P energy: -52.875
bonds (distance) P-C4' energy: -66.899
flat angles C4'-P-C4' energy: -43.637
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -314.848920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.848920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.848920 (E_RNA)
where:
Base-Base interactions energy: -106.994
where: short stacking energy: -92.662
Base-Backbone interact. energy: -2.576
local terms energy: -205.278391
where:
bonds (distance) C4'-P energy: -59.253
bonds (distance) P-C4' energy: -59.075
flat angles C4'-P-C4' energy: -49.634
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -267.505941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.505941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.505941 (E_RNA)
where:
Base-Base interactions energy: -85.195
where: short stacking energy: -65.974
Base-Backbone interact. energy: 3.440
local terms energy: -185.750848
where:
bonds (distance) C4'-P energy: -54.679
bonds (distance) P-C4' energy: -59.445
flat angles C4'-P-C4' energy: -49.530
flat angles P-C4'-P energy: -28.382
tors. eta vs tors. theta energy: 6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -269.409484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.409484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.409484 (E_RNA)
where:
Base-Base interactions energy: -95.603
where: short stacking energy: -80.118
Base-Backbone interact. energy: 4.257
local terms energy: -178.063767
where:
bonds (distance) C4'-P energy: -67.980
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -37.667
flat angles P-C4'-P energy: -27.821
tors. eta vs tors. theta energy: 10.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1078.627004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.627004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.627004 (E_RNA)
where:
Base-Base interactions energy: -730.277
where: short stacking energy: -301.034
Base-Backbone interact. energy: 0.257
local terms energy: -348.607490
where:
bonds (distance) C4'-P energy: -71.868
bonds (distance) P-C4' energy: -63.713
flat angles C4'-P-C4' energy: -74.090
flat angles P-C4'-P energy: -47.632
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: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1073.199284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.199284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.199284 (E_RNA)
where:
Base-Base interactions energy: -711.592
where: short stacking energy: -308.831
Base-Backbone interact. energy: -0.197
local terms energy: -361.410696
where:
bonds (distance) C4'-P energy: -72.246
bonds (distance) P-C4' energy: -60.622
flat angles C4'-P-C4' energy: -69.057
flat angles P-C4'-P energy: -49.097
tors. eta vs tors. theta energy: -110.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1004.830806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.830806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.830806 (E_RNA)
where:
Base-Base interactions energy: -680.874
where: short stacking energy: -260.027
Base-Backbone interact. energy: -1.595
local terms energy: -323.489379
where:
bonds (distance) C4'-P energy: -59.666
bonds (distance) P-C4' energy: -68.182
flat angles C4'-P-C4' energy: -65.324
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: -82.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.127 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -892.867366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.867366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.867366 (E_RNA)
where:
Base-Base interactions energy: -587.725
where: short stacking energy: -241.292
Base-Backbone interact. energy: 1.177
local terms energy: -306.318792
where:
bonds (distance) C4'-P energy: -63.418
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -67.521
flat angles P-C4'-P energy: -43.086
tors. eta vs tors. theta energy: -77.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -778.677588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.677588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.677588 (E_RNA)
where:
Base-Base interactions energy: -499.789
where: short stacking energy: -229.347
Base-Backbone interact. energy: -1.039
local terms energy: -277.849759
where:
bonds (distance) C4'-P energy: -51.333
bonds (distance) P-C4' energy: -59.202
flat angles C4'-P-C4' energy: -60.616
flat angles P-C4'-P energy: -32.280
tors. eta vs tors. theta energy: -74.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -574.531939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.531939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.531939 (E_RNA)
where:
Base-Base interactions energy: -314.497
where: short stacking energy: -155.501
Base-Backbone interact. energy: -1.788
local terms energy: -258.247550
where:
bonds (distance) C4'-P energy: -59.305
bonds (distance) P-C4' energy: -61.534
flat angles C4'-P-C4' energy: -57.595
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -38.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -462.940042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.940042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.940042 (E_RNA)
where:
Base-Base interactions energy: -247.433
where: short stacking energy: -139.605
Base-Backbone interact. energy: 0.537
local terms energy: -216.043803
where:
bonds (distance) C4'-P energy: -61.178
bonds (distance) P-C4' energy: -52.929
flat angles C4'-P-C4' energy: -56.481
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -303.349652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.349652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.349652 (E_RNA)
where:
Base-Base interactions energy: -105.663
where: short stacking energy: -89.685
Base-Backbone interact. energy: -1.297
local terms energy: -196.389598
where:
bonds (distance) C4'-P energy: -61.464
bonds (distance) P-C4' energy: -54.801
flat angles C4'-P-C4' energy: -57.851
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -278.688575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.688575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.688575 (E_RNA)
where:
Base-Base interactions energy: -89.123
where: short stacking energy: -53.800
Base-Backbone interact. energy: -2.040
local terms energy: -187.525111
where:
bonds (distance) C4'-P energy: -60.857
bonds (distance) P-C4' energy: -51.785
flat angles C4'-P-C4' energy: -53.156
flat angles P-C4'-P energy: -36.376
tors. eta vs tors. theta energy: 14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -267.552935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.552935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.552935 (E_RNA)
where:
Base-Base interactions energy: -111.945
where: short stacking energy: -68.654
Base-Backbone interact. energy: 3.393
local terms energy: -159.001095
where:
bonds (distance) C4'-P energy: -65.530
bonds (distance) P-C4' energy: -55.735
flat angles C4'-P-C4' energy: -35.575
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: 18.826
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: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1080.840367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.840367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.840367 (E_RNA)
where:
Base-Base interactions energy: -726.674
where: short stacking energy: -316.569
Base-Backbone interact. energy: -1.063
local terms energy: -353.104176
where:
bonds (distance) C4'-P energy: -72.259
bonds (distance) P-C4' energy: -63.140
flat angles C4'-P-C4' energy: -70.066
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -100.596
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: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1049.724383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.724383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.724383 (E_RNA)
where:
Base-Base interactions energy: -679.135
where: short stacking energy: -309.083
Base-Backbone interact. energy: 0.298
local terms energy: -370.887280
where:
bonds (distance) C4'-P energy: -70.733
bonds (distance) P-C4' energy: -65.857
flat angles C4'-P-C4' energy: -78.033
flat angles P-C4'-P energy: -53.064
tors. eta vs tors. theta energy: -103.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1030.606205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.606205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.606205 (E_RNA)
where:
Base-Base interactions energy: -692.000
where: short stacking energy: -282.721
Base-Backbone interact. energy: -1.745
local terms energy: -338.624556
where:
bonds (distance) C4'-P energy: -70.645
bonds (distance) P-C4' energy: -65.888
flat angles C4'-P-C4' energy: -68.509
flat angles P-C4'-P energy: -40.135
tors. eta vs tors. theta energy: -93.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.763 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -835.650246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.650246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.650246 (E_RNA)
where:
Base-Base interactions energy: -529.492
where: short stacking energy: -213.330
Base-Backbone interact. energy: -0.992
local terms energy: -305.165704
where:
bonds (distance) C4'-P energy: -72.115
bonds (distance) P-C4' energy: -61.019
flat angles C4'-P-C4' energy: -71.813
flat angles P-C4'-P energy: -34.592
tors. eta vs tors. theta energy: -65.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -770.582764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.582764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.582764 (E_RNA)
where:
Base-Base interactions energy: -489.015
where: short stacking energy: -213.132
Base-Backbone interact. energy: -0.622
local terms energy: -280.945802
where:
bonds (distance) C4'-P energy: -60.788
bonds (distance) P-C4' energy: -56.757
flat angles C4'-P-C4' energy: -65.051
flat angles P-C4'-P energy: -41.908
tors. eta vs tors. theta energy: -56.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -591.776531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.776531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.776531 (E_RNA)
where:
Base-Base interactions energy: -343.457
where: short stacking energy: -180.524
Base-Backbone interact. energy: -1.847
local terms energy: -246.473158
where:
bonds (distance) C4'-P energy: -66.988
bonds (distance) P-C4' energy: -45.284
flat angles C4'-P-C4' energy: -62.408
flat angles P-C4'-P energy: -35.320
tors. eta vs tors. theta energy: -36.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -394.782137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.782137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.782137 (E_RNA)
where:
Base-Base interactions energy: -167.285
where: short stacking energy: -105.032
Base-Backbone interact. energy: 0.408
local terms energy: -227.904789
where:
bonds (distance) C4'-P energy: -61.226
bonds (distance) P-C4' energy: -61.378
flat angles C4'-P-C4' energy: -56.251
flat angles P-C4'-P energy: -34.646
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -323.348340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.348340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.348340 (E_RNA)
where:
Base-Base interactions energy: -133.010
where: short stacking energy: -75.415
Base-Backbone interact. energy: -0.490
local terms energy: -189.848803
where:
bonds (distance) C4'-P energy: -62.809
bonds (distance) P-C4' energy: -50.868
flat angles C4'-P-C4' energy: -50.979
flat angles P-C4'-P energy: -35.787
tors. eta vs tors. theta energy: 10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -283.935224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.935224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.935224 (E_RNA)
where:
Base-Base interactions energy: -88.198
where: short stacking energy: -60.293
Base-Backbone interact. energy: -0.144
local terms energy: -195.593440
where:
bonds (distance) C4'-P energy: -44.694
bonds (distance) P-C4' energy: -68.845
flat angles C4'-P-C4' energy: -44.167
flat angles P-C4'-P energy: -51.350
tors. eta vs tors. theta energy: 13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -263.985300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.985300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.985300 (E_RNA)
where:
Base-Base interactions energy: -69.508
where: short stacking energy: -62.277
Base-Backbone interact. energy: -0.928
local terms energy: -193.549495
where:
bonds (distance) C4'-P energy: -65.945
bonds (distance) P-C4' energy: -49.827
flat angles C4'-P-C4' energy: -53.584
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: 6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1061.093200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.093200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.093200 (E_RNA)
where:
Base-Base interactions energy: -708.291
where: short stacking energy: -293.809
Base-Backbone interact. energy: -2.103
local terms energy: -350.699346
where:
bonds (distance) C4'-P energy: -75.902
bonds (distance) P-C4' energy: -70.871
flat angles C4'-P-C4' energy: -72.959
flat angles P-C4'-P energy: -38.015
tors. eta vs tors. theta energy: -92.952
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: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1060.310673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.310673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.310673 (E_RNA)
where:
Base-Base interactions energy: -695.215
where: short stacking energy: -313.538
Base-Backbone interact. energy: -1.105
local terms energy: -363.991137
where:
bonds (distance) C4'-P energy: -63.319
bonds (distance) P-C4' energy: -62.681
flat angles C4'-P-C4' energy: -79.341
flat angles P-C4'-P energy: -46.106
tors. eta vs tors. theta energy: -112.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -994.722860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.722860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.722860 (E_RNA)
where:
Base-Base interactions energy: -660.419
where: short stacking energy: -274.985
Base-Backbone interact. energy: 1.796
local terms energy: -336.099738
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -65.176
flat angles C4'-P-C4' energy: -74.802
flat angles P-C4'-P energy: -40.578
tors. eta vs tors. theta energy: -95.919
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: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -834.182204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.182204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.182204 (E_RNA)
where:
Base-Base interactions energy: -531.787
where: short stacking energy: -217.246
Base-Backbone interact. energy: 0.073
local terms energy: -302.468548
where:
bonds (distance) C4'-P energy: -63.631
bonds (distance) P-C4' energy: -60.743
flat angles C4'-P-C4' energy: -69.869
flat angles P-C4'-P energy: -47.838
tors. eta vs tors. theta energy: -60.387
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: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -765.764953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.764953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.764953 (E_RNA)
where:
Base-Base interactions energy: -453.754
where: short stacking energy: -204.287
Base-Backbone interact. energy: -4.033
local terms energy: -307.977644
where:
bonds (distance) C4'-P energy: -62.718
bonds (distance) P-C4' energy: -68.056
flat angles C4'-P-C4' energy: -71.088
flat angles P-C4'-P energy: -47.569
tors. eta vs tors. theta energy: -58.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -599.311678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.311678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.311678 (E_RNA)
where:
Base-Base interactions energy: -367.139
where: short stacking energy: -162.350
Base-Backbone interact. energy: -0.109
local terms energy: -232.063633
where:
bonds (distance) C4'-P energy: -60.515
bonds (distance) P-C4' energy: -58.939
flat angles C4'-P-C4' energy: -59.981
flat angles P-C4'-P energy: -27.222
tors. eta vs tors. theta energy: -25.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -448.709637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.709637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.709637 (E_RNA)
where:
Base-Base interactions energy: -233.770
where: short stacking energy: -129.132
Base-Backbone interact. energy: 1.596
local terms energy: -216.535816
where:
bonds (distance) C4'-P energy: -56.046
bonds (distance) P-C4' energy: -65.469
flat angles C4'-P-C4' energy: -52.448
flat angles P-C4'-P energy: -32.919
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -303.623314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.623314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.623314 (E_RNA)
where:
Base-Base interactions energy: -115.744
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.564
local terms energy: -187.315261
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -52.973
flat angles C4'-P-C4' energy: -52.595
flat angles P-C4'-P energy: -28.976
tors. eta vs tors. theta energy: 5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -284.411868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.411868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.411868 (E_RNA)
where:
Base-Base interactions energy: -83.458
where: short stacking energy: -79.296
Base-Backbone interact. energy: -1.108
local terms energy: -199.845703
where:
bonds (distance) C4'-P energy: -50.831
bonds (distance) P-C4' energy: -64.844
flat angles C4'-P-C4' energy: -49.687
flat angles P-C4'-P energy: -32.062
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -246.032634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.032634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.032634 (E_RNA)
where:
Base-Base interactions energy: -62.256
where: short stacking energy: -53.772
Base-Backbone interact. energy: -1.116
local terms energy: -182.660074
where:
bonds (distance) C4'-P energy: -45.692
bonds (distance) P-C4' energy: -61.387
flat angles C4'-P-C4' energy: -42.982
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: 10.563
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: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1067.918219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.918219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.918219 (E_RNA)
where:
Base-Base interactions energy: -697.640
where: short stacking energy: -311.016
Base-Backbone interact. energy: -0.485
local terms energy: -369.793569
where:
bonds (distance) C4'-P energy: -63.867
bonds (distance) P-C4' energy: -68.893
flat angles C4'-P-C4' energy: -76.454
flat angles P-C4'-P energy: -53.212
tors. eta vs tors. theta energy: -107.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1060.286826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.286826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.286826 (E_RNA)
where:
Base-Base interactions energy: -725.781
where: short stacking energy: -294.045
Base-Backbone interact. energy: -2.068
local terms energy: -332.437552
where:
bonds (distance) C4'-P energy: -62.281
bonds (distance) P-C4' energy: -61.294
flat angles C4'-P-C4' energy: -71.921
flat angles P-C4'-P energy: -46.130
tors. eta vs tors. theta energy: -90.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1012.204905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.204905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.204905 (E_RNA)
where:
Base-Base interactions energy: -674.038
where: short stacking energy: -278.415
Base-Backbone interact. energy: -0.567
local terms energy: -337.599566
where:
bonds (distance) C4'-P energy: -60.564
bonds (distance) P-C4' energy: -67.955
flat angles C4'-P-C4' energy: -69.539
flat angles P-C4'-P energy: -44.914
tors. eta vs tors. theta energy: -94.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -846.198976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.198976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.198976 (E_RNA)
where:
Base-Base interactions energy: -542.017
where: short stacking energy: -241.924
Base-Backbone interact. energy: 2.029
local terms energy: -306.210712
where:
bonds (distance) C4'-P energy: -57.157
bonds (distance) P-C4' energy: -59.564
flat angles C4'-P-C4' energy: -70.206
flat angles P-C4'-P energy: -52.598
tors. eta vs tors. theta energy: -66.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -772.311027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.311027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.311027 (E_RNA)
where:
Base-Base interactions energy: -479.468
where: short stacking energy: -218.041
Base-Backbone interact. energy: -2.158
local terms energy: -290.684614
where:
bonds (distance) C4'-P energy: -54.300
bonds (distance) P-C4' energy: -69.636
flat angles C4'-P-C4' energy: -60.900
flat angles P-C4'-P energy: -38.695
tors. eta vs tors. theta energy: -67.154
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: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -549.394013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.394013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.394013 (E_RNA)
where:
Base-Base interactions energy: -309.877
where: short stacking energy: -153.173
Base-Backbone interact. energy: 1.197
local terms energy: -240.713309
where:
bonds (distance) C4'-P energy: -63.081
bonds (distance) P-C4' energy: -63.330
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -29.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -416.870059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.870059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.870059 (E_RNA)
where:
Base-Base interactions energy: -211.723
where: short stacking energy: -106.553
Base-Backbone interact. energy: -0.239
local terms energy: -204.907904
where:
bonds (distance) C4'-P energy: -52.300
bonds (distance) P-C4' energy: -62.251
flat angles C4'-P-C4' energy: -39.581
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -22.248
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: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -326.385785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.385785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.385785 (E_RNA)
where:
Base-Base interactions energy: -128.311
where: short stacking energy: -81.627
Base-Backbone interact. energy: 2.016
local terms energy: -200.091174
where:
bonds (distance) C4'-P energy: -56.817
bonds (distance) P-C4' energy: -66.797
flat angles C4'-P-C4' energy: -49.398
flat angles P-C4'-P energy: -32.379
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: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -258.247324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.247324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.247324 (E_RNA)
where:
Base-Base interactions energy: -70.823
where: short stacking energy: -56.227
Base-Backbone interact. energy: -2.714
local terms energy: -184.709673
where:
bonds (distance) C4'-P energy: -53.881
bonds (distance) P-C4' energy: -61.595
flat angles C4'-P-C4' energy: -54.483
flat angles P-C4'-P energy: -29.745
tors. eta vs tors. theta energy: 14.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -268.135852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.135852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.135852 (E_RNA)
where:
Base-Base interactions energy: -71.717
where: short stacking energy: -57.128
Base-Backbone interact. energy: -1.199
local terms energy: -195.219326
where:
bonds (distance) C4'-P energy: -60.948
bonds (distance) P-C4' energy: -71.046
flat angles C4'-P-C4' energy: -44.291
flat angles P-C4'-P energy: -23.070
tors. eta vs tors. theta energy: 4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1048.626435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.626435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.626435 (E_RNA)
where:
Base-Base interactions energy: -682.557
where: short stacking energy: -294.104
Base-Backbone interact. energy: -1.166
local terms energy: -364.903270
where:
bonds (distance) C4'-P energy: -69.166
bonds (distance) P-C4' energy: -68.714
flat angles C4'-P-C4' energy: -80.813
flat angles P-C4'-P energy: -47.347
tors. eta vs tors. theta energy: -98.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1057.674480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.674480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.674480 (E_RNA)
where:
Base-Base interactions energy: -722.278
where: short stacking energy: -291.639
Base-Backbone interact. energy: -2.883
local terms energy: -332.513187
where:
bonds (distance) C4'-P energy: -62.419
bonds (distance) P-C4' energy: -68.248
flat angles C4'-P-C4' energy: -67.988
flat angles P-C4'-P energy: -45.423
tors. eta vs tors. theta energy: -88.434
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: 185
Temperature: 1.000000
Total energy: -988.179744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.179744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.179744 (E_RNA)
where:
Base-Base interactions energy: -668.564
where: short stacking energy: -277.598
Base-Backbone interact. energy: -1.133
local terms energy: -319.122883
where:
bonds (distance) C4'-P energy: -62.151
bonds (distance) P-C4' energy: -68.762
flat angles C4'-P-C4' energy: -66.370
flat angles P-C4'-P energy: -34.010
tors. eta vs tors. theta energy: -87.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.640 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -851.648007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.648007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.648007 (E_RNA)
where:
Base-Base interactions energy: -553.046
where: short stacking energy: -238.031
Base-Backbone interact. energy: -1.509
local terms energy: -297.093059
where:
bonds (distance) C4'-P energy: -59.478
bonds (distance) P-C4' energy: -62.702
flat angles C4'-P-C4' energy: -70.277
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -71.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -720.406129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.406129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.406129 (E_RNA)
where:
Base-Base interactions energy: -453.390
where: short stacking energy: -205.720
Base-Backbone interact. energy: -0.859
local terms energy: -266.157077
where:
bonds (distance) C4'-P energy: -54.906
bonds (distance) P-C4' energy: -66.161
flat angles C4'-P-C4' energy: -52.938
flat angles P-C4'-P energy: -47.634
tors. eta vs tors. theta energy: -44.518
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: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -573.432643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.432643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.432643 (E_RNA)
where:
Base-Base interactions energy: -323.883
where: short stacking energy: -138.729
Base-Backbone interact. energy: -0.974
local terms energy: -248.575594
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -62.879
flat angles C4'-P-C4' energy: -59.071
flat angles P-C4'-P energy: -28.656
tors. eta vs tors. theta energy: -32.625
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: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -392.852196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.852196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.852196 (E_RNA)
where:
Base-Base interactions energy: -163.236
where: short stacking energy: -116.936
Base-Backbone interact. energy: 0.569
local terms energy: -230.184695
where:
bonds (distance) C4'-P energy: -49.636
bonds (distance) P-C4' energy: -64.685
flat angles C4'-P-C4' energy: -60.041
flat angles P-C4'-P energy: -43.801
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -333.005888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.005888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.005888 (E_RNA)
where:
Base-Base interactions energy: -142.267
where: short stacking energy: -85.361
Base-Backbone interact. energy: -0.205
local terms energy: -190.534156
where:
bonds (distance) C4'-P energy: -52.183
bonds (distance) P-C4' energy: -59.187
flat angles C4'-P-C4' energy: -54.246
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -288.321317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.321317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.321317 (E_RNA)
where:
Base-Base interactions energy: -110.320
where: short stacking energy: -63.140
Base-Backbone interact. energy: -1.634
local terms energy: -178.173161
where:
bonds (distance) C4'-P energy: -51.147
bonds (distance) P-C4' energy: -68.114
flat angles C4'-P-C4' energy: -41.986
flat angles P-C4'-P energy: -27.458
tors. eta vs tors. theta energy: 10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.806 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -256.570626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.570626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.570626 (E_RNA)
where:
Base-Base interactions energy: -77.001
where: short stacking energy: -59.018
Base-Backbone interact. energy: 1.189
local terms energy: -181.630113
where:
bonds (distance) C4'-P energy: -54.637
bonds (distance) P-C4' energy: -64.960
flat angles C4'-P-C4' energy: -44.797
flat angles P-C4'-P energy: -29.367
tors. eta vs tors. theta energy: 12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.871 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1084.489112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.489112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.489112 (E_RNA)
where:
Base-Base interactions energy: -710.779
where: short stacking energy: -326.894
Base-Backbone interact. energy: -1.051
local terms energy: -372.659021
where:
bonds (distance) C4'-P energy: -65.142
bonds (distance) P-C4' energy: -70.216
flat angles C4'-P-C4' energy: -73.109
flat angles P-C4'-P energy: -52.996
tors. eta vs tors. theta energy: -111.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1060.204013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.204013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.204013 (E_RNA)
where:
Base-Base interactions energy: -718.004
where: short stacking energy: -278.624
Base-Backbone interact. energy: -2.844
local terms energy: -339.355421
where:
bonds (distance) C4'-P energy: -63.155
bonds (distance) P-C4' energy: -70.688
flat angles C4'-P-C4' energy: -75.355
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: -88.396
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: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1013.233992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.233992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.233992 (E_RNA)
where:
Base-Base interactions energy: -678.167
where: short stacking energy: -289.543
Base-Backbone interact. energy: -0.367
local terms energy: -334.699823
where:
bonds (distance) C4'-P energy: -63.210
bonds (distance) P-C4' energy: -75.275
flat angles C4'-P-C4' energy: -61.586
flat angles P-C4'-P energy: -45.465
tors. eta vs tors. theta energy: -89.163
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: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -859.913193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.913193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.913193 (E_RNA)
where:
Base-Base interactions energy: -566.677
where: short stacking energy: -237.307
Base-Backbone interact. energy: 0.607
local terms energy: -293.842904
where:
bonds (distance) C4'-P energy: -59.569
bonds (distance) P-C4' energy: -65.601
flat angles C4'-P-C4' energy: -59.894
flat angles P-C4'-P energy: -38.699
tors. eta vs tors. theta energy: -70.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -736.171875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.171875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.171875 (E_RNA)
where:
Base-Base interactions energy: -457.044
where: short stacking energy: -205.730
Base-Backbone interact. energy: -1.313
local terms energy: -277.814672
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -57.259
flat angles C4'-P-C4' energy: -66.872
flat angles P-C4'-P energy: -32.156
tors. eta vs tors. theta energy: -59.773
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: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -528.645872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.645872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.645872 (E_RNA)
where:
Base-Base interactions energy: -316.995
where: short stacking energy: -153.599
Base-Backbone interact. energy: 0.765
local terms energy: -212.416310
where:
bonds (distance) C4'-P energy: -55.374
bonds (distance) P-C4' energy: -60.144
flat angles C4'-P-C4' energy: -49.789
flat angles P-C4'-P energy: -29.907
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -405.246458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.246458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.246458 (E_RNA)
where:
Base-Base interactions energy: -192.451
where: short stacking energy: -88.973
Base-Backbone interact. energy: -1.210
local terms energy: -211.585567
where:
bonds (distance) C4'-P energy: -63.416
bonds (distance) P-C4' energy: -58.788
flat angles C4'-P-C4' energy: -48.778
flat angles P-C4'-P energy: -35.678
tors. eta vs tors. theta energy: -4.926
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: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -298.541492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.541492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.541492 (E_RNA)
where:
Base-Base interactions energy: -116.535
where: short stacking energy: -86.135
Base-Backbone interact. energy: -2.108
local terms energy: -179.898737
where:
bonds (distance) C4'-P energy: -55.774
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -50.664
flat angles P-C4'-P energy: -40.577
tors. eta vs tors. theta energy: 13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -289.508175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.508175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.508175 (E_RNA)
where:
Base-Base interactions energy: -127.857
where: short stacking energy: -65.811
Base-Backbone interact. energy: -1.043
local terms energy: -160.608066
where:
bonds (distance) C4'-P energy: -58.000
bonds (distance) P-C4' energy: -51.031
flat angles C4'-P-C4' energy: -36.446
flat angles P-C4'-P energy: -25.647
tors. eta vs tors. theta energy: 10.515
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: 186
Temperature: 1.350000
Total energy: -251.452922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.452922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.452922 (E_RNA)
where:
Base-Base interactions energy: -83.712
where: short stacking energy: -54.519
Base-Backbone interact. energy: -1.390
local terms energy: -166.351480
where:
bonds (distance) C4'-P energy: -41.758
bonds (distance) P-C4' energy: -54.341
flat angles C4'-P-C4' energy: -43.537
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: 11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1085.132832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.132832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.132832 (E_RNA)
where:
Base-Base interactions energy: -708.347
where: short stacking energy: -311.576
Base-Backbone interact. energy: 0.068
local terms energy: -376.853320
where:
bonds (distance) C4'-P energy: -71.986
bonds (distance) P-C4' energy: -73.373
flat angles C4'-P-C4' energy: -76.184
flat angles P-C4'-P energy: -52.076
tors. eta vs tors. theta energy: -103.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1056.495152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.495152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.495152 (E_RNA)
where:
Base-Base interactions energy: -726.690
where: short stacking energy: -292.737
Base-Backbone interact. energy: -3.204
local terms energy: -326.601046
where:
bonds (distance) C4'-P energy: -64.650
bonds (distance) P-C4' energy: -52.669
flat angles C4'-P-C4' energy: -72.837
flat angles P-C4'-P energy: -45.180
tors. eta vs tors. theta energy: -91.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -989.788900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.788900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.788900 (E_RNA)
where:
Base-Base interactions energy: -657.884
where: short stacking energy: -275.363
Base-Backbone interact. energy: -1.872
local terms energy: -330.033320
where:
bonds (distance) C4'-P energy: -70.501
bonds (distance) P-C4' energy: -62.834
flat angles C4'-P-C4' energy: -69.863
flat angles P-C4'-P energy: -37.188
tors. eta vs tors. theta energy: -89.647
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: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -839.888805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.888805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.888805 (E_RNA)
where:
Base-Base interactions energy: -552.345
where: short stacking energy: -233.330
Base-Backbone interact. energy: -1.548
local terms energy: -285.995668
where:
bonds (distance) C4'-P energy: -62.825
bonds (distance) P-C4' energy: -65.807
flat angles C4'-P-C4' energy: -56.183
flat angles P-C4'-P energy: -36.183
tors. eta vs tors. theta energy: -64.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -729.981879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.981879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.981879 (E_RNA)
where:
Base-Base interactions energy: -455.782
where: short stacking energy: -200.419
Base-Backbone interact. energy: -0.205
local terms energy: -273.995707
where:
bonds (distance) C4'-P energy: -63.298
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -61.217
flat angles P-C4'-P energy: -39.841
tors. eta vs tors. theta energy: -55.593
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: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -540.932924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.932924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.932924 (E_RNA)
where:
Base-Base interactions energy: -284.223
where: short stacking energy: -152.398
Base-Backbone interact. energy: -0.160
local terms energy: -256.549326
where:
bonds (distance) C4'-P energy: -56.136
bonds (distance) P-C4' energy: -66.196
flat angles C4'-P-C4' energy: -55.609
flat angles P-C4'-P energy: -47.364
tors. eta vs tors. theta energy: -31.244
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: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -420.245398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.245398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.245398 (E_RNA)
where:
Base-Base interactions energy: -209.501
where: short stacking energy: -124.590
Base-Backbone interact. energy: 2.110
local terms energy: -212.854423
where:
bonds (distance) C4'-P energy: -62.109
bonds (distance) P-C4' energy: -58.664
flat angles C4'-P-C4' energy: -58.345
flat angles P-C4'-P energy: -26.863
tors. eta vs tors. theta energy: -6.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -303.143763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.143763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.143763 (E_RNA)
where:
Base-Base interactions energy: -102.444
where: short stacking energy: -54.346
Base-Backbone interact. energy: 0.272
local terms energy: -200.971806
where:
bonds (distance) C4'-P energy: -56.823
bonds (distance) P-C4' energy: -66.248
flat angles C4'-P-C4' energy: -52.216
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: 9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -293.021630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.021630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.021630 (E_RNA)
where:
Base-Base interactions energy: -117.939
where: short stacking energy: -71.967
Base-Backbone interact. energy: 1.147
local terms energy: -176.229990
where:
bonds (distance) C4'-P energy: -45.419
bonds (distance) P-C4' energy: -63.694
flat angles C4'-P-C4' energy: -55.476
flat angles P-C4'-P energy: -24.969
tors. eta vs tors. theta energy: 13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -259.950806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.950806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.950806 (E_RNA)
where:
Base-Base interactions energy: -83.900
where: short stacking energy: -64.311
Base-Backbone interact. energy: -0.980
local terms energy: -175.071203
where:
bonds (distance) C4'-P energy: -40.816
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -56.269
flat angles P-C4'-P energy: -28.115
tors. eta vs tors. theta energy: 15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1087.846165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.846165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.846165 (E_RNA)
where:
Base-Base interactions energy: -733.425
where: short stacking energy: -314.546
Base-Backbone interact. energy: 1.354
local terms energy: -355.775317
where:
bonds (distance) C4'-P energy: -66.712
bonds (distance) P-C4' energy: -63.241
flat angles C4'-P-C4' energy: -68.494
flat angles P-C4'-P energy: -48.877
tors. eta vs tors. theta energy: -108.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1065.116493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.116493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.116493 (E_RNA)
where:
Base-Base interactions energy: -745.307
where: short stacking energy: -295.476
Base-Backbone interact. energy: -1.501
local terms energy: -318.308151
where:
bonds (distance) C4'-P energy: -57.190
bonds (distance) P-C4' energy: -56.411
flat angles C4'-P-C4' energy: -75.353
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -90.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -959.064927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.064927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.064927 (E_RNA)
where:
Base-Base interactions energy: -644.002
where: short stacking energy: -255.778
Base-Backbone interact. energy: -0.638
local terms energy: -314.424694
where:
bonds (distance) C4'-P energy: -55.376
bonds (distance) P-C4' energy: -69.634
flat angles C4'-P-C4' energy: -65.792
flat angles P-C4'-P energy: -43.813
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: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -871.150366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.150366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.150366 (E_RNA)
where:
Base-Base interactions energy: -592.144
where: short stacking energy: -242.204
Base-Backbone interact. energy: 0.391
local terms energy: -279.397318
where:
bonds (distance) C4'-P energy: -60.144
bonds (distance) P-C4' energy: -55.835
flat angles C4'-P-C4' energy: -64.660
flat angles P-C4'-P energy: -24.978
tors. eta vs tors. theta energy: -73.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -780.038459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.038459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.038459 (E_RNA)
where:
Base-Base interactions energy: -505.000
where: short stacking energy: -222.664
Base-Backbone interact. energy: -4.321
local terms energy: -270.717002
where:
bonds (distance) C4'-P energy: -49.100
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -55.256
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: -62.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -559.938850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.938850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.938850 (E_RNA)
where:
Base-Base interactions energy: -307.273
where: short stacking energy: -140.794
Base-Backbone interact. energy: -1.372
local terms energy: -251.293256
where:
bonds (distance) C4'-P energy: -59.878
bonds (distance) P-C4' energy: -68.736
flat angles C4'-P-C4' energy: -55.255
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -26.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -407.993684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.993684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.993684 (E_RNA)
where:
Base-Base interactions energy: -185.519
where: short stacking energy: -120.926
Base-Backbone interact. energy: 1.637
local terms energy: -224.111271
where:
bonds (distance) C4'-P energy: -54.189
bonds (distance) P-C4' energy: -73.272
flat angles C4'-P-C4' energy: -41.574
flat angles P-C4'-P energy: -30.999
tors. eta vs tors. theta energy: -24.077
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: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -310.450302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.450302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.450302 (E_RNA)
where:
Base-Base interactions energy: -105.681
where: short stacking energy: -59.833
Base-Backbone interact. energy: -2.046
local terms energy: -202.723299
where:
bonds (distance) C4'-P energy: -60.479
bonds (distance) P-C4' energy: -63.096
flat angles C4'-P-C4' energy: -46.901
flat angles P-C4'-P energy: -31.943
tors. eta vs tors. theta energy: -0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -272.070788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.070788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.070788 (E_RNA)
where:
Base-Base interactions energy: -89.806
where: short stacking energy: -67.554
Base-Backbone interact. energy: -2.973
local terms energy: -179.291880
where:
bonds (distance) C4'-P energy: -57.027
bonds (distance) P-C4' energy: -70.307
flat angles C4'-P-C4' energy: -35.372
flat angles P-C4'-P energy: -33.839
tors. eta vs tors. theta energy: 17.253
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: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -283.602250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.602250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.602250 (E_RNA)
where:
Base-Base interactions energy: -96.779
where: short stacking energy: -65.607
Base-Backbone interact. energy: 0.940
local terms energy: -187.763094
where:
bonds (distance) C4'-P energy: -55.733
bonds (distance) P-C4' energy: -60.211
flat angles C4'-P-C4' energy: -54.012
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: 5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1089.426764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.426764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.426764 (E_RNA)
where:
Base-Base interactions energy: -710.687
where: short stacking energy: -315.402
Base-Backbone interact. energy: -0.169
local terms energy: -378.571303
where:
bonds (distance) C4'-P energy: -70.668
bonds (distance) P-C4' energy: -70.549
flat angles C4'-P-C4' energy: -76.206
flat angles P-C4'-P energy: -51.538
tors. eta vs tors. theta energy: -109.610
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: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1071.680187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.680187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.680187 (E_RNA)
where:
Base-Base interactions energy: -719.484
where: short stacking energy: -283.927
Base-Backbone interact. energy: -0.757
local terms energy: -351.745079
where:
bonds (distance) C4'-P energy: -65.042
bonds (distance) P-C4' energy: -69.558
flat angles C4'-P-C4' energy: -74.807
flat angles P-C4'-P energy: -51.872
tors. eta vs tors. theta energy: -90.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.307 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -983.923630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.923630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.923630 (E_RNA)
where:
Base-Base interactions energy: -674.977
where: short stacking energy: -267.223
Base-Backbone interact. energy: -1.547
local terms energy: -307.399794
where:
bonds (distance) C4'-P energy: -62.249
bonds (distance) P-C4' energy: -62.246
flat angles C4'-P-C4' energy: -64.336
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -76.124
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: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -871.954930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.954930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.954930 (E_RNA)
where:
Base-Base interactions energy: -571.305
where: short stacking energy: -245.014
Base-Backbone interact. energy: -0.597
local terms energy: -300.052718
where:
bonds (distance) C4'-P energy: -65.214
bonds (distance) P-C4' energy: -70.221
flat angles C4'-P-C4' energy: -59.381
flat angles P-C4'-P energy: -39.570
tors. eta vs tors. theta energy: -65.667
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: 189
Temperature: 1.100000
Total energy: -747.438817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.438817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.438817 (E_RNA)
where:
Base-Base interactions energy: -465.109
where: short stacking energy: -213.630
Base-Backbone interact. energy: 2.787
local terms energy: -285.116387
where:
bonds (distance) C4'-P energy: -47.628
bonds (distance) P-C4' energy: -52.425
flat angles C4'-P-C4' energy: -69.577
flat angles P-C4'-P energy: -46.577
tors. eta vs tors. theta energy: -68.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -526.692620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.692620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.692620 (E_RNA)
where:
Base-Base interactions energy: -293.645
where: short stacking energy: -114.991
Base-Backbone interact. energy: -0.958
local terms energy: -232.089644
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -59.049
flat angles C4'-P-C4' energy: -52.807
flat angles P-C4'-P energy: -39.881
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -393.641562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.641562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.641562 (E_RNA)
where:
Base-Base interactions energy: -185.509
where: short stacking energy: -122.732
Base-Backbone interact. energy: -1.247
local terms energy: -206.884779
where:
bonds (distance) C4'-P energy: -63.868
bonds (distance) P-C4' energy: -57.798
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -321.494542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.494542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.494542 (E_RNA)
where:
Base-Base interactions energy: -134.625
where: short stacking energy: -95.413
Base-Backbone interact. energy: -1.228
local terms energy: -185.641963
where:
bonds (distance) C4'-P energy: -54.863
bonds (distance) P-C4' energy: -54.268
flat angles C4'-P-C4' energy: -44.066
flat angles P-C4'-P energy: -29.923
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -286.727234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.727234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.727234 (E_RNA)
where:
Base-Base interactions energy: -101.827
where: short stacking energy: -74.471
Base-Backbone interact. energy: 2.761
local terms energy: -187.661081
where:
bonds (distance) C4'-P energy: -45.064
bonds (distance) P-C4' energy: -71.857
flat angles C4'-P-C4' energy: -52.262
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: 3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -259.177732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.177732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.177732 (E_RNA)
where:
Base-Base interactions energy: -79.166
where: short stacking energy: -57.232
Base-Backbone interact. energy: 2.689
local terms energy: -182.700504
where:
bonds (distance) C4'-P energy: -50.970
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -52.624
flat angles P-C4'-P energy: -30.723
tors. eta vs tors. theta energy: 6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1098.773635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.773635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.773635 (E_RNA)
where:
Base-Base interactions energy: -732.888
where: short stacking energy: -310.134
Base-Backbone interact. energy: 0.037
local terms energy: -365.922737
where:
bonds (distance) C4'-P energy: -59.839
bonds (distance) P-C4' energy: -72.357
flat angles C4'-P-C4' energy: -75.876
flat angles P-C4'-P energy: -51.072
tors. eta vs tors. theta energy: -106.778
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: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1043.574005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.574005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.574005 (E_RNA)
where:
Base-Base interactions energy: -713.789
where: short stacking energy: -288.262
Base-Backbone interact. energy: 1.250
local terms energy: -331.306143
where:
bonds (distance) C4'-P energy: -66.022
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -69.856
flat angles P-C4'-P energy: -42.728
tors. eta vs tors. theta energy: -95.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.271 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -975.046541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.046541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.046541 (E_RNA)
where:
Base-Base interactions energy: -636.845
where: short stacking energy: -272.023
Base-Backbone interact. energy: 0.447
local terms energy: -338.648725
where:
bonds (distance) C4'-P energy: -60.785
bonds (distance) P-C4' energy: -69.656
flat angles C4'-P-C4' energy: -74.120
flat angles P-C4'-P energy: -47.427
tors. eta vs tors. theta energy: -86.662
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: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -874.304030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.304030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.304030 (E_RNA)
where:
Base-Base interactions energy: -544.976
where: short stacking energy: -244.951
Base-Backbone interact. energy: 0.852
local terms energy: -330.180753
where:
bonds (distance) C4'-P energy: -67.212
bonds (distance) P-C4' energy: -68.646
flat angles C4'-P-C4' energy: -71.392
flat angles P-C4'-P energy: -55.950
tors. eta vs tors. theta energy: -66.981
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: 190
Temperature: 1.100000
Total energy: -754.588220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.588220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.588220 (E_RNA)
where:
Base-Base interactions energy: -464.070
where: short stacking energy: -226.656
Base-Backbone interact. energy: 1.184
local terms energy: -291.702159
where:
bonds (distance) C4'-P energy: -64.059
bonds (distance) P-C4' energy: -54.558
flat angles C4'-P-C4' energy: -71.293
flat angles P-C4'-P energy: -36.506
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: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -548.236688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.236688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.236688 (E_RNA)
where:
Base-Base interactions energy: -330.251
where: short stacking energy: -170.474
Base-Backbone interact. energy: 3.121
local terms energy: -221.106676
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -66.829
flat angles C4'-P-C4' energy: -44.921
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: -24.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -434.929141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.929141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.929141 (E_RNA)
where:
Base-Base interactions energy: -216.585
where: short stacking energy: -120.215
Base-Backbone interact. energy: 0.692
local terms energy: -219.036086
where:
bonds (distance) C4'-P energy: -53.149
bonds (distance) P-C4' energy: -55.618
flat angles C4'-P-C4' energy: -52.526
flat angles P-C4'-P energy: -41.030
tors. eta vs tors. theta energy: -16.713
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: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -335.179805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.179805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.179805 (E_RNA)
where:
Base-Base interactions energy: -136.610
where: short stacking energy: -94.501
Base-Backbone interact. energy: -1.034
local terms energy: -197.999783
where:
bonds (distance) C4'-P energy: -49.386
bonds (distance) P-C4' energy: -71.333
flat angles C4'-P-C4' energy: -55.802
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: 12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.464 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -268.823010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.823010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.823010 (E_RNA)
where:
Base-Base interactions energy: -73.186
where: short stacking energy: -58.985
Base-Backbone interact. energy: -1.451
local terms energy: -194.186442
where:
bonds (distance) C4'-P energy: -61.490
bonds (distance) P-C4' energy: -66.717
flat angles C4'-P-C4' energy: -49.048
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: 15.170
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: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -271.083269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.083269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.083269 (E_RNA)
where:
Base-Base interactions energy: -105.969
where: short stacking energy: -64.087
Base-Backbone interact. energy: -0.450
local terms energy: -164.664602
where:
bonds (distance) C4'-P energy: -57.752
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -35.915
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: 17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1097.698964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.698964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.698964 (E_RNA)
where:
Base-Base interactions energy: -739.987
where: short stacking energy: -324.449
Base-Backbone interact. energy: -0.235
local terms energy: -357.477562
where:
bonds (distance) C4'-P energy: -52.034
bonds (distance) P-C4' energy: -63.860
flat angles C4'-P-C4' energy: -76.673
flat angles P-C4'-P energy: -49.173
tors. eta vs tors. theta energy: -115.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1020.135072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.135072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.135072 (E_RNA)
where:
Base-Base interactions energy: -692.747
where: short stacking energy: -277.832
Base-Backbone interact. energy: -0.381
local terms energy: -327.007038
where:
bonds (distance) C4'-P energy: -68.449
bonds (distance) P-C4' energy: -69.510
flat angles C4'-P-C4' energy: -60.244
flat angles P-C4'-P energy: -39.659
tors. eta vs tors. theta energy: -89.144
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: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -994.798619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.798619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.798619 (E_RNA)
where:
Base-Base interactions energy: -656.212
where: short stacking energy: -282.347
Base-Backbone interact. energy: 1.175
local terms energy: -339.762155
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -73.988
flat angles C4'-P-C4' energy: -71.904
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -85.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -839.336621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.336621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.336621 (E_RNA)
where:
Base-Base interactions energy: -568.249
where: short stacking energy: -204.653
Base-Backbone interact. energy: -0.765
local terms energy: -270.323288
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -70.423
flat angles C4'-P-C4' energy: -49.113
flat angles P-C4'-P energy: -40.684
tors. eta vs tors. theta energy: -58.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -691.851264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.851264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.851264 (E_RNA)
where:
Base-Base interactions energy: -425.212
where: short stacking energy: -197.774
Base-Backbone interact. energy: 0.205
local terms energy: -267.035902
where:
bonds (distance) C4'-P energy: -62.536
bonds (distance) P-C4' energy: -55.189
flat angles C4'-P-C4' energy: -61.079
flat angles P-C4'-P energy: -43.206
tors. eta vs tors. theta energy: -45.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.192 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -518.038175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.038175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.038175 (E_RNA)
where:
Base-Base interactions energy: -265.385
where: short stacking energy: -157.340
Base-Backbone interact. energy: -1.316
local terms energy: -251.337308
where:
bonds (distance) C4'-P energy: -60.918
bonds (distance) P-C4' energy: -59.330
flat angles C4'-P-C4' energy: -60.882
flat angles P-C4'-P energy: -43.967
tors. eta vs tors. theta energy: -26.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -491.980468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.980468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.980468 (E_RNA)
where:
Base-Base interactions energy: -274.081
where: short stacking energy: -146.806
Base-Backbone interact. energy: -1.157
local terms energy: -216.742354
where:
bonds (distance) C4'-P energy: -57.501
bonds (distance) P-C4' energy: -50.154
flat angles C4'-P-C4' energy: -51.256
flat angles P-C4'-P energy: -37.438
tors. eta vs tors. theta energy: -20.394
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: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -308.221632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.221632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.221632 (E_RNA)
where:
Base-Base interactions energy: -100.998
where: short stacking energy: -79.323
Base-Backbone interact. energy: -1.285
local terms energy: -205.938681
where:
bonds (distance) C4'-P energy: -57.438
bonds (distance) P-C4' energy: -59.816
flat angles C4'-P-C4' energy: -55.029
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -347.460738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.460738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.460738 (E_RNA)
where:
Base-Base interactions energy: -134.966
where: short stacking energy: -83.673
Base-Backbone interact. energy: 0.980
local terms energy: -213.474730
where:
bonds (distance) C4'-P energy: -56.156
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -57.199
flat angles P-C4'-P energy: -31.224
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -271.746240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.746240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.746240 (E_RNA)
where:
Base-Base interactions energy: -94.819
where: short stacking energy: -54.758
Base-Backbone interact. energy: -2.084
local terms energy: -174.843391
where:
bonds (distance) C4'-P energy: -63.488
bonds (distance) P-C4' energy: -60.071
flat angles C4'-P-C4' energy: -38.591
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: 15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1094.432268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.432268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.432268 (E_RNA)
where:
Base-Base interactions energy: -722.072
where: short stacking energy: -328.720
Base-Backbone interact. energy: -1.674
local terms energy: -370.686306
where:
bonds (distance) C4'-P energy: -64.625
bonds (distance) P-C4' energy: -70.895
flat angles C4'-P-C4' energy: -75.211
flat angles P-C4'-P energy: -46.289
tors. eta vs tors. theta energy: -113.667
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: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1030.935612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.935612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.935612 (E_RNA)
where:
Base-Base interactions energy: -677.838
where: short stacking energy: -295.565
Base-Backbone interact. energy: -2.672
local terms energy: -350.425187
where:
bonds (distance) C4'-P energy: -71.860
bonds (distance) P-C4' energy: -60.468
flat angles C4'-P-C4' energy: -74.927
flat angles P-C4'-P energy: -44.758
tors. eta vs tors. theta energy: -98.413
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: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -990.827725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.827725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.827725 (E_RNA)
where:
Base-Base interactions energy: -660.846
where: short stacking energy: -262.047
Base-Backbone interact. energy: -2.097
local terms energy: -327.885625
where:
bonds (distance) C4'-P energy: -63.473
bonds (distance) P-C4' energy: -60.965
flat angles C4'-P-C4' energy: -72.493
flat angles P-C4'-P energy: -46.567
tors. eta vs tors. theta energy: -84.387
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: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -871.783602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.783602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.783602 (E_RNA)
where:
Base-Base interactions energy: -575.829
where: short stacking energy: -250.553
Base-Backbone interact. energy: -0.301
local terms energy: -295.653446
where:
bonds (distance) C4'-P energy: -55.483
bonds (distance) P-C4' energy: -67.315
flat angles C4'-P-C4' energy: -71.522
flat angles P-C4'-P energy: -40.399
tors. eta vs tors. theta energy: -60.933
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: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -709.900805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.900805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.900805 (E_RNA)
where:
Base-Base interactions energy: -420.636
where: short stacking energy: -215.531
Base-Backbone interact. energy: -2.071
local terms energy: -287.193641
where:
bonds (distance) C4'-P energy: -56.009
bonds (distance) P-C4' energy: -63.948
flat angles C4'-P-C4' energy: -63.187
flat angles P-C4'-P energy: -46.224
tors. eta vs tors. theta energy: -57.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -503.917504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.917504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.917504 (E_RNA)
where:
Base-Base interactions energy: -236.407
where: short stacking energy: -121.029
Base-Backbone interact. energy: 2.973
local terms energy: -271.014299
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -70.254
flat angles C4'-P-C4' energy: -68.025
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -34.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.530 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -480.054251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.054251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.054251 (E_RNA)
where:
Base-Base interactions energy: -267.863
where: short stacking energy: -135.837
Base-Backbone interact. energy: 2.953
local terms energy: -215.144837
where:
bonds (distance) C4'-P energy: -58.479
bonds (distance) P-C4' energy: -67.577
flat angles C4'-P-C4' energy: -49.919
flat angles P-C4'-P energy: -27.218
tors. eta vs tors. theta energy: -11.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -320.380517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.380517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.380517 (E_RNA)
where:
Base-Base interactions energy: -123.842
where: short stacking energy: -72.611
Base-Backbone interact. energy: -1.024
local terms energy: -196.075289
where:
bonds (distance) C4'-P energy: -53.817
bonds (distance) P-C4' energy: -55.777
flat angles C4'-P-C4' energy: -55.467
flat angles P-C4'-P energy: -31.210
tors. eta vs tors. theta energy: 0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.560 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -298.154167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.154167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.154167 (E_RNA)
where:
Base-Base interactions energy: -118.273
where: short stacking energy: -88.057
Base-Backbone interact. energy: -0.161
local terms energy: -179.720627
where:
bonds (distance) C4'-P energy: -58.088
bonds (distance) P-C4' energy: -70.614
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -261.540941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.540941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.540941 (E_RNA)
where:
Base-Base interactions energy: -84.537
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.256
local terms energy: -177.905559
where:
bonds (distance) C4'-P energy: -58.059
bonds (distance) P-C4' energy: -55.400
flat angles C4'-P-C4' energy: -41.715
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: 2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.158 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1097.722524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.722524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.722524 (E_RNA)
where:
Base-Base interactions energy: -733.289
where: short stacking energy: -336.550
Base-Backbone interact. energy: -0.871
local terms energy: -363.563014
where:
bonds (distance) C4'-P energy: -66.414
bonds (distance) P-C4' energy: -65.307
flat angles C4'-P-C4' energy: -71.265
flat angles P-C4'-P energy: -48.082
tors. eta vs tors. theta energy: -112.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1049.940752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.940752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.940752 (E_RNA)
where:
Base-Base interactions energy: -701.785
where: short stacking energy: -308.434
Base-Backbone interact. energy: -2.414
local terms energy: -346.838951
where:
bonds (distance) C4'-P energy: -58.506
bonds (distance) P-C4' energy: -62.967
flat angles C4'-P-C4' energy: -74.545
flat angles P-C4'-P energy: -51.149
tors. eta vs tors. theta energy: -99.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.097 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -996.929720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.929720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.929720 (E_RNA)
where:
Base-Base interactions energy: -671.608
where: short stacking energy: -279.709
Base-Backbone interact. energy: -1.029
local terms energy: -324.292413
where:
bonds (distance) C4'-P energy: -62.074
bonds (distance) P-C4' energy: -64.164
flat angles C4'-P-C4' energy: -68.237
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -82.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -863.473556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.473556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.473556 (E_RNA)
where:
Base-Base interactions energy: -549.483
where: short stacking energy: -236.142
Base-Backbone interact. energy: -0.693
local terms energy: -313.297285
where:
bonds (distance) C4'-P energy: -62.163
bonds (distance) P-C4' energy: -74.468
flat angles C4'-P-C4' energy: -71.851
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -69.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -714.674181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.674181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.674181 (E_RNA)
where:
Base-Base interactions energy: -436.202
where: short stacking energy: -219.859
Base-Backbone interact. energy: 0.382
local terms energy: -278.854138
where:
bonds (distance) C4'-P energy: -59.878
bonds (distance) P-C4' energy: -54.400
flat angles C4'-P-C4' energy: -63.309
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: -59.676
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: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -494.121872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.121872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.121872 (E_RNA)
where:
Base-Base interactions energy: -275.346
where: short stacking energy: -135.133
Base-Backbone interact. energy: -0.800
local terms energy: -217.975777
where:
bonds (distance) C4'-P energy: -53.944
bonds (distance) P-C4' energy: -60.812
flat angles C4'-P-C4' energy: -57.305
flat angles P-C4'-P energy: -35.409
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -492.829775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.829775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.829775 (E_RNA)
where:
Base-Base interactions energy: -268.588
where: short stacking energy: -136.494
Base-Backbone interact. energy: 1.784
local terms energy: -226.025965
where:
bonds (distance) C4'-P energy: -39.030
bonds (distance) P-C4' energy: -71.293
flat angles C4'-P-C4' energy: -59.448
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: -27.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -336.779912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.779912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.779912 (E_RNA)
where:
Base-Base interactions energy: -129.407
where: short stacking energy: -79.809
Base-Backbone interact. energy: -1.215
local terms energy: -206.158156
where:
bonds (distance) C4'-P energy: -58.895
bonds (distance) P-C4' energy: -62.504
flat angles C4'-P-C4' energy: -52.379
flat angles P-C4'-P energy: -35.823
tors. eta vs tors. theta energy: 3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -278.784041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.784041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.784041 (E_RNA)
where:
Base-Base interactions energy: -91.801
where: short stacking energy: -56.779
Base-Backbone interact. energy: -0.741
local terms energy: -186.242579
where:
bonds (distance) C4'-P energy: -44.535
bonds (distance) P-C4' energy: -62.613
flat angles C4'-P-C4' energy: -53.183
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -275.064464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.064464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.064464 (E_RNA)
where:
Base-Base interactions energy: -123.215
where: short stacking energy: -67.537
Base-Backbone interact. energy: 1.258
local terms energy: -153.107871
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -61.039
flat angles C4'-P-C4' energy: -38.867
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: 10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1059.369941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.369941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.369941 (E_RNA)
where:
Base-Base interactions energy: -704.507
where: short stacking energy: -284.933
Base-Backbone interact. energy: 0.013
local terms energy: -354.875715
where:
bonds (distance) C4'-P energy: -63.822
bonds (distance) P-C4' energy: -73.857
flat angles C4'-P-C4' energy: -72.653
flat angles P-C4'-P energy: -48.269
tors. eta vs tors. theta energy: -96.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1060.660272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.660272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.660272 (E_RNA)
where:
Base-Base interactions energy: -709.289
where: short stacking energy: -321.051
Base-Backbone interact. energy: -0.682
local terms energy: -350.689097
where:
bonds (distance) C4'-P energy: -56.278
bonds (distance) P-C4' energy: -67.854
flat angles C4'-P-C4' energy: -68.071
flat angles P-C4'-P energy: -49.014
tors. eta vs tors. theta energy: -109.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1007.736619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.736619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.736619 (E_RNA)
where:
Base-Base interactions energy: -670.796
where: short stacking energy: -279.989
Base-Backbone interact. energy: -1.018
local terms energy: -335.922615
where:
bonds (distance) C4'-P energy: -68.669
bonds (distance) P-C4' energy: -68.050
flat angles C4'-P-C4' energy: -57.545
flat angles P-C4'-P energy: -46.319
tors. eta vs tors. theta energy: -95.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -862.227156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.227156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.227156 (E_RNA)
where:
Base-Base interactions energy: -560.462
where: short stacking energy: -243.316
Base-Backbone interact. energy: -0.602
local terms energy: -301.163118
where:
bonds (distance) C4'-P energy: -61.779
bonds (distance) P-C4' energy: -58.144
flat angles C4'-P-C4' energy: -68.731
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -76.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -726.727268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.727268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.727268 (E_RNA)
where:
Base-Base interactions energy: -440.627
where: short stacking energy: -225.864
Base-Backbone interact. energy: -0.431
local terms energy: -285.669162
where:
bonds (distance) C4'-P energy: -59.018
bonds (distance) P-C4' energy: -63.418
flat angles C4'-P-C4' energy: -59.420
flat angles P-C4'-P energy: -40.612
tors. eta vs tors. theta energy: -63.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -559.922307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.922307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.922307 (E_RNA)
where:
Base-Base interactions energy: -325.521
where: short stacking energy: -143.868
Base-Backbone interact. energy: -2.057
local terms energy: -232.344188
where:
bonds (distance) C4'-P energy: -53.003
bonds (distance) P-C4' energy: -62.366
flat angles C4'-P-C4' energy: -49.808
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: -30.340
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: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -485.969544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.969544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.969544 (E_RNA)
where:
Base-Base interactions energy: -243.866
where: short stacking energy: -114.638
Base-Backbone interact. energy: -3.085
local terms energy: -239.018310
where:
bonds (distance) C4'-P energy: -54.493
bonds (distance) P-C4' energy: -59.910
flat angles C4'-P-C4' energy: -55.675
flat angles P-C4'-P energy: -37.510
tors. eta vs tors. theta energy: -31.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -348.393005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.393005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.393005 (E_RNA)
where:
Base-Base interactions energy: -139.363
where: short stacking energy: -99.300
Base-Backbone interact. energy: 0.261
local terms energy: -209.290955
where:
bonds (distance) C4'-P energy: -63.855
bonds (distance) P-C4' energy: -63.006
flat angles C4'-P-C4' energy: -49.998
flat angles P-C4'-P energy: -33.919
tors. eta vs tors. theta energy: 1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -264.479717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.479717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.479717 (E_RNA)
where:
Base-Base interactions energy: -79.407
where: short stacking energy: -55.934
Base-Backbone interact. energy: -1.346
local terms energy: -183.726975
where:
bonds (distance) C4'-P energy: -60.610
bonds (distance) P-C4' energy: -63.161
flat angles C4'-P-C4' energy: -49.839
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: 10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -245.799995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.799995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.799995 (E_RNA)
where:
Base-Base interactions energy: -104.164
where: short stacking energy: -76.978
Base-Backbone interact. energy: 1.191
local terms energy: -142.826752
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -55.900
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: 19.708
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: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1052.432038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.432038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.432038 (E_RNA)
where:
Base-Base interactions energy: -696.188
where: short stacking energy: -296.714
Base-Backbone interact. energy: -0.652
local terms energy: -355.592221
where:
bonds (distance) C4'-P energy: -68.264
bonds (distance) P-C4' energy: -72.771
flat angles C4'-P-C4' energy: -68.513
flat angles P-C4'-P energy: -45.424
tors. eta vs tors. theta energy: -100.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1052.350492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.350492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.350492 (E_RNA)
where:
Base-Base interactions energy: -684.224
where: short stacking energy: -315.996
Base-Backbone interact. energy: -1.495
local terms energy: -366.631395
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -71.488
flat angles C4'-P-C4' energy: -76.645
flat angles P-C4'-P energy: -60.088
tors. eta vs tors. theta energy: -102.876
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: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1026.455716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.455716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.455716 (E_RNA)
where:
Base-Base interactions energy: -685.363
where: short stacking energy: -273.554
Base-Backbone interact. energy: 0.734
local terms energy: -341.826422
where:
bonds (distance) C4'-P energy: -56.823
bonds (distance) P-C4' energy: -77.229
flat angles C4'-P-C4' energy: -74.164
flat angles P-C4'-P energy: -43.902
tors. eta vs tors. theta energy: -89.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -849.127620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.127620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.127620 (E_RNA)
where:
Base-Base interactions energy: -559.001
where: short stacking energy: -200.725
Base-Backbone interact. energy: 0.078
local terms energy: -290.204564
where:
bonds (distance) C4'-P energy: -71.315
bonds (distance) P-C4' energy: -64.324
flat angles C4'-P-C4' energy: -59.747
flat angles P-C4'-P energy: -38.557
tors. eta vs tors. theta energy: -56.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -734.210105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.210105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.210105 (E_RNA)
where:
Base-Base interactions energy: -454.043
where: short stacking energy: -213.584
Base-Backbone interact. energy: 0.703
local terms energy: -280.870190
where:
bonds (distance) C4'-P energy: -67.347
bonds (distance) P-C4' energy: -55.523
flat angles C4'-P-C4' energy: -54.269
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -61.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -578.411335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.411335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.411335 (E_RNA)
where:
Base-Base interactions energy: -360.076
where: short stacking energy: -167.495
Base-Backbone interact. energy: -0.149
local terms energy: -218.877363
where:
bonds (distance) C4'-P energy: -44.134
bonds (distance) P-C4' energy: -55.231
flat angles C4'-P-C4' energy: -68.369
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -23.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.690 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -489.034558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.034558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.034558 (E_RNA)
where:
Base-Base interactions energy: -258.699
where: short stacking energy: -131.020
Base-Backbone interact. energy: -1.114
local terms energy: -229.221184
where:
bonds (distance) C4'-P energy: -62.512
bonds (distance) P-C4' energy: -49.358
flat angles C4'-P-C4' energy: -48.516
flat angles P-C4'-P energy: -37.202
tors. eta vs tors. theta energy: -31.634
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: 195
Temperature: 1.250000
Total energy: -289.974626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.974626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.974626 (E_RNA)
where:
Base-Base interactions energy: -101.934
where: short stacking energy: -78.118
Base-Backbone interact. energy: 0.706
local terms energy: -188.746903
where:
bonds (distance) C4'-P energy: -43.903
bonds (distance) P-C4' energy: -64.674
flat angles C4'-P-C4' energy: -48.266
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -263.402498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.402498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.402498 (E_RNA)
where:
Base-Base interactions energy: -90.535
where: short stacking energy: -67.651
Base-Backbone interact. energy: 0.042
local terms energy: -172.908987
where:
bonds (distance) C4'-P energy: -54.113
bonds (distance) P-C4' energy: -63.231
flat angles C4'-P-C4' energy: -43.529
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: 28.506
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: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -252.257697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.257697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.257697 (E_RNA)
where:
Base-Base interactions energy: -82.130
where: short stacking energy: -60.455
Base-Backbone interact. energy: -0.929
local terms energy: -169.198988
where:
bonds (distance) C4'-P energy: -47.191
bonds (distance) P-C4' energy: -55.606
flat angles C4'-P-C4' energy: -52.440
flat angles P-C4'-P energy: -31.898
tors. eta vs tors. theta energy: 17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1069.248271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.248271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.248271 (E_RNA)
where:
Base-Base interactions energy: -716.019
where: short stacking energy: -309.083
Base-Backbone interact. energy: -1.465
local terms energy: -351.764963
where:
bonds (distance) C4'-P energy: -62.530
bonds (distance) P-C4' energy: -68.979
flat angles C4'-P-C4' energy: -79.430
flat angles P-C4'-P energy: -41.281
tors. eta vs tors. theta energy: -99.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1083.593953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.593953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.593953 (E_RNA)
where:
Base-Base interactions energy: -724.973
where: short stacking energy: -324.512
Base-Backbone interact. energy: -0.053
local terms energy: -358.568206
where:
bonds (distance) C4'-P energy: -61.406
bonds (distance) P-C4' energy: -67.161
flat angles C4'-P-C4' energy: -79.152
flat angles P-C4'-P energy: -38.904
tors. eta vs tors. theta energy: -111.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -979.877602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.877602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.877602 (E_RNA)
where:
Base-Base interactions energy: -657.208
where: short stacking energy: -262.954
Base-Backbone interact. energy: -1.319
local terms energy: -321.543850
where:
bonds (distance) C4'-P energy: -57.404
bonds (distance) P-C4' energy: -61.533
flat angles C4'-P-C4' energy: -64.860
flat angles P-C4'-P energy: -48.188
tors. eta vs tors. theta energy: -89.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.193 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -831.775227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.775227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.775227 (E_RNA)
where:
Base-Base interactions energy: -529.251
where: short stacking energy: -223.978
Base-Backbone interact. energy: -1.199
local terms energy: -301.324681
where:
bonds (distance) C4'-P energy: -64.744
bonds (distance) P-C4' energy: -60.982
flat angles C4'-P-C4' energy: -73.378
flat angles P-C4'-P energy: -45.109
tors. eta vs tors. theta energy: -57.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -719.586327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.586327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.586327 (E_RNA)
where:
Base-Base interactions energy: -432.314
where: short stacking energy: -206.117
Base-Backbone interact. energy: 3.163
local terms energy: -290.435490
where:
bonds (distance) C4'-P energy: -62.131
bonds (distance) P-C4' energy: -60.642
flat angles C4'-P-C4' energy: -69.965
flat angles P-C4'-P energy: -43.492
tors. eta vs tors. theta energy: -54.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -522.220610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.220610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.220610 (E_RNA)
where:
Base-Base interactions energy: -305.574
where: short stacking energy: -143.417
Base-Backbone interact. energy: 0.320
local terms energy: -216.966503
where:
bonds (distance) C4'-P energy: -43.167
bonds (distance) P-C4' energy: -63.719
flat angles C4'-P-C4' energy: -55.979
flat angles P-C4'-P energy: -34.044
tors. eta vs tors. theta energy: -20.057
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: 196
Temperature: 1.200000
Total energy: -564.383744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.383744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.383744 (E_RNA)
where:
Base-Base interactions energy: -304.825
where: short stacking energy: -148.982
Base-Backbone interact. energy: -0.790
local terms energy: -258.768211
where:
bonds (distance) C4'-P energy: -57.271
bonds (distance) P-C4' energy: -66.941
flat angles C4'-P-C4' energy: -55.606
flat angles P-C4'-P energy: -39.660
tors. eta vs tors. theta energy: -39.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -320.162254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.162254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.162254 (E_RNA)
where:
Base-Base interactions energy: -115.371
where: short stacking energy: -86.007
Base-Backbone interact. energy: -1.353
local terms energy: -203.437725
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -64.831
flat angles C4'-P-C4' energy: -58.697
flat angles P-C4'-P energy: -34.664
tors. eta vs tors. theta energy: 6.053
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: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -280.582177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.582177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.582177 (E_RNA)
where:
Base-Base interactions energy: -107.848
where: short stacking energy: -64.236
Base-Backbone interact. energy: -2.261
local terms energy: -170.473616
where:
bonds (distance) C4'-P energy: -41.833
bonds (distance) P-C4' energy: -63.278
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: 17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -271.289098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.289098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.289098 (E_RNA)
where:
Base-Base interactions energy: -99.333
where: short stacking energy: -77.497
Base-Backbone interact. energy: 2.215
local terms energy: -174.171609
where:
bonds (distance) C4'-P energy: -36.999
bonds (distance) P-C4' energy: -67.064
flat angles C4'-P-C4' energy: -45.133
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1062.917805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.917805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.917805 (E_RNA)
where:
Base-Base interactions energy: -702.758
where: short stacking energy: -308.081
Base-Backbone interact. energy: -1.219
local terms energy: -358.940531
where:
bonds (distance) C4'-P energy: -66.337
bonds (distance) P-C4' energy: -69.409
flat angles C4'-P-C4' energy: -71.169
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -107.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1085.250102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.250102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.250102 (E_RNA)
where:
Base-Base interactions energy: -727.786
where: short stacking energy: -319.072
Base-Backbone interact. energy: -0.562
local terms energy: -356.901760
where:
bonds (distance) C4'-P energy: -68.696
bonds (distance) P-C4' energy: -68.897
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -42.907
tors. eta vs tors. theta energy: -106.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1024.561738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.561738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.561738 (E_RNA)
where:
Base-Base interactions energy: -685.469
where: short stacking energy: -281.064
Base-Backbone interact. energy: -0.733
local terms energy: -338.360148
where:
bonds (distance) C4'-P energy: -76.165
bonds (distance) P-C4' energy: -64.357
flat angles C4'-P-C4' energy: -69.368
flat angles P-C4'-P energy: -37.948
tors. eta vs tors. theta energy: -90.522
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: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -838.349126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.349126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.349126 (E_RNA)
where:
Base-Base interactions energy: -535.163
where: short stacking energy: -230.105
Base-Backbone interact. energy: -0.802
local terms energy: -302.384366
where:
bonds (distance) C4'-P energy: -58.456
bonds (distance) P-C4' energy: -70.265
flat angles C4'-P-C4' energy: -64.517
flat angles P-C4'-P energy: -44.305
tors. eta vs tors. theta energy: -64.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -713.087172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.087172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.087172 (E_RNA)
where:
Base-Base interactions energy: -449.755
where: short stacking energy: -187.320
Base-Backbone interact. energy: -1.141
local terms energy: -262.191681
where:
bonds (distance) C4'-P energy: -58.833
bonds (distance) P-C4' energy: -57.003
flat angles C4'-P-C4' energy: -52.603
flat angles P-C4'-P energy: -43.068
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: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -518.628824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.628824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.628824 (E_RNA)
where:
Base-Base interactions energy: -308.679
where: short stacking energy: -145.402
Base-Backbone interact. energy: -1.179
local terms energy: -208.770757
where:
bonds (distance) C4'-P energy: -41.957
bonds (distance) P-C4' energy: -62.116
flat angles C4'-P-C4' energy: -54.844
flat angles P-C4'-P energy: -29.882
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -512.079862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.079862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.079862 (E_RNA)
where:
Base-Base interactions energy: -285.380
where: short stacking energy: -147.120
Base-Backbone interact. energy: -0.391
local terms energy: -226.308860
where:
bonds (distance) C4'-P energy: -52.903
bonds (distance) P-C4' energy: -57.576
flat angles C4'-P-C4' energy: -57.641
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -33.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -311.854086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.854086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.854086 (E_RNA)
where:
Base-Base interactions energy: -121.575
where: short stacking energy: -99.570
Base-Backbone interact. energy: 0.215
local terms energy: -190.494312
where:
bonds (distance) C4'-P energy: -51.844
bonds (distance) P-C4' energy: -48.932
flat angles C4'-P-C4' energy: -60.017
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -286.756378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.756378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.756378 (E_RNA)
where:
Base-Base interactions energy: -96.624
where: short stacking energy: -44.357
Base-Backbone interact. energy: 1.943
local terms energy: -192.075476
where:
bonds (distance) C4'-P energy: -52.201
bonds (distance) P-C4' energy: -66.599
flat angles C4'-P-C4' energy: -53.830
flat angles P-C4'-P energy: -33.958
tors. eta vs tors. theta energy: 14.512
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: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -255.831125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.831125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.831125 (E_RNA)
where:
Base-Base interactions energy: -70.603
where: short stacking energy: -60.546
Base-Backbone interact. energy: 3.090
local terms energy: -188.318470
where:
bonds (distance) C4'-P energy: -56.732
bonds (distance) P-C4' energy: -56.095
flat angles C4'-P-C4' energy: -46.533
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: 7.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1079.784299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.784299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.784299 (E_RNA)
where:
Base-Base interactions energy: -732.372
where: short stacking energy: -295.603
Base-Backbone interact. energy: -1.840
local terms energy: -345.571432
where:
bonds (distance) C4'-P energy: -69.036
bonds (distance) P-C4' energy: -76.772
flat angles C4'-P-C4' energy: -66.914
flat angles P-C4'-P energy: -35.583
tors. eta vs tors. theta energy: -97.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1058.571824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.571824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.571824 (E_RNA)
where:
Base-Base interactions energy: -698.575
where: short stacking energy: -316.196
Base-Backbone interact. energy: -0.175
local terms energy: -359.821859
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -65.903
flat angles C4'-P-C4' energy: -74.022
flat angles P-C4'-P energy: -52.455
tors. eta vs tors. theta energy: -107.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1027.994260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.994260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.994260 (E_RNA)
where:
Base-Base interactions energy: -710.226
where: short stacking energy: -290.245
Base-Backbone interact. energy: -0.908
local terms energy: -316.861187
where:
bonds (distance) C4'-P energy: -46.687
bonds (distance) P-C4' energy: -59.955
flat angles C4'-P-C4' energy: -70.823
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: -99.342
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: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -840.348888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.348888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.348888 (E_RNA)
where:
Base-Base interactions energy: -546.680
where: short stacking energy: -221.857
Base-Backbone interact. energy: 0.300
local terms energy: -293.968711
where:
bonds (distance) C4'-P energy: -61.952
bonds (distance) P-C4' energy: -59.530
flat angles C4'-P-C4' energy: -69.273
flat angles P-C4'-P energy: -39.167
tors. eta vs tors. theta energy: -64.045
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: 198
Temperature: 1.100000
Total energy: -765.766204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.766204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.766204 (E_RNA)
where:
Base-Base interactions energy: -495.727
where: short stacking energy: -215.362
Base-Backbone interact. energy: -0.295
local terms energy: -269.744469
where:
bonds (distance) C4'-P energy: -54.388
bonds (distance) P-C4' energy: -58.155
flat angles C4'-P-C4' energy: -72.139
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -61.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -483.535288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.535288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.535288 (E_RNA)
where:
Base-Base interactions energy: -248.647
where: short stacking energy: -109.285
Base-Backbone interact. energy: -3.564
local terms energy: -231.324100
where:
bonds (distance) C4'-P energy: -56.381
bonds (distance) P-C4' energy: -70.957
flat angles C4'-P-C4' energy: -61.309
flat angles P-C4'-P energy: -39.019
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -483.647503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.647503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.647503 (E_RNA)
where:
Base-Base interactions energy: -244.387
where: short stacking energy: -137.966
Base-Backbone interact. energy: 4.804
local terms energy: -244.064895
where:
bonds (distance) C4'-P energy: -63.726
bonds (distance) P-C4' energy: -66.524
flat angles C4'-P-C4' energy: -63.030
flat angles P-C4'-P energy: -38.059
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -330.868492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.868492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.868492 (E_RNA)
where:
Base-Base interactions energy: -139.065
where: short stacking energy: -88.701
Base-Backbone interact. energy: -1.452
local terms energy: -190.351770
where:
bonds (distance) C4'-P energy: -60.755
bonds (distance) P-C4' energy: -56.867
flat angles C4'-P-C4' energy: -49.114
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: 7.776
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: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -265.042788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.042788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.042788 (E_RNA)
where:
Base-Base interactions energy: -88.130
where: short stacking energy: -82.751
Base-Backbone interact. energy: -0.672
local terms energy: -176.240617
where:
bonds (distance) C4'-P energy: -57.277
bonds (distance) P-C4' energy: -53.406
flat angles C4'-P-C4' energy: -51.946
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: 5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -265.530620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.530620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.530620 (E_RNA)
where:
Base-Base interactions energy: -98.173
where: short stacking energy: -69.695
Base-Backbone interact. energy: 5.024
local terms energy: -172.381924
where:
bonds (distance) C4'-P energy: -50.182
bonds (distance) P-C4' energy: -57.386
flat angles C4'-P-C4' energy: -47.423
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: 5.096
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: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1084.642142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.642142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.642142 (E_RNA)
where:
Base-Base interactions energy: -718.744
where: short stacking energy: -311.639
Base-Backbone interact. energy: -1.955
local terms energy: -363.942543
where:
bonds (distance) C4'-P energy: -68.695
bonds (distance) P-C4' energy: -70.638
flat angles C4'-P-C4' energy: -76.085
flat angles P-C4'-P energy: -53.163
tors. eta vs tors. theta energy: -95.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1074.554659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.554659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.554659 (E_RNA)
where:
Base-Base interactions energy: -702.985
where: short stacking energy: -307.770
Base-Backbone interact. energy: -0.302
local terms energy: -371.267623
where:
bonds (distance) C4'-P energy: -74.489
bonds (distance) P-C4' energy: -59.709
flat angles C4'-P-C4' energy: -74.133
flat angles P-C4'-P energy: -52.382
tors. eta vs tors. theta energy: -110.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1008.623204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.623204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.623204 (E_RNA)
where:
Base-Base interactions energy: -673.757
where: short stacking energy: -273.698
Base-Backbone interact. energy: -1.097
local terms energy: -333.769607
where:
bonds (distance) C4'-P energy: -54.760
bonds (distance) P-C4' energy: -59.457
flat angles C4'-P-C4' energy: -69.532
flat angles P-C4'-P energy: -57.839
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: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -836.106243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.106243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.106243 (E_RNA)
where:
Base-Base interactions energy: -533.017
where: short stacking energy: -217.963
Base-Backbone interact. energy: -0.473
local terms energy: -302.616571
where:
bonds (distance) C4'-P energy: -68.266
bonds (distance) P-C4' energy: -72.463
flat angles C4'-P-C4' energy: -63.078
flat angles P-C4'-P energy: -33.409
tors. eta vs tors. theta energy: -65.400
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: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -800.392259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.392259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.392259 (E_RNA)
where:
Base-Base interactions energy: -504.187
where: short stacking energy: -241.682
Base-Backbone interact. energy: -0.057
local terms energy: -296.148365
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -67.816
flat angles C4'-P-C4' energy: -62.915
flat angles P-C4'-P energy: -38.281
tors. eta vs tors. theta energy: -72.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -492.183479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.183479 (E_RNA)
where:
Base-Base interactions energy: -248.624
where: short stacking energy: -127.762
Base-Backbone interact. energy: -1.309
local terms energy: -242.250167
where:
bonds (distance) C4'-P energy: -68.827
bonds (distance) P-C4' energy: -66.455
flat angles C4'-P-C4' energy: -57.488
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -21.091
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: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -462.176280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.176280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.176280 (E_RNA)
where:
Base-Base interactions energy: -235.917
where: short stacking energy: -126.385
Base-Backbone interact. energy: -0.706
local terms energy: -225.552796
where:
bonds (distance) C4'-P energy: -57.186
bonds (distance) P-C4' energy: -54.912
flat angles C4'-P-C4' energy: -64.353
flat angles P-C4'-P energy: -36.865
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -329.950571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.950571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.950571 (E_RNA)
where:
Base-Base interactions energy: -135.935
where: short stacking energy: -83.122
Base-Backbone interact. energy: 0.307
local terms energy: -194.322397
where:
bonds (distance) C4'-P energy: -54.795
bonds (distance) P-C4' energy: -60.395
flat angles C4'-P-C4' energy: -53.476
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: 6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -285.745754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.745754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.745754 (E_RNA)
where:
Base-Base interactions energy: -88.080
where: short stacking energy: -74.021
Base-Backbone interact. energy: 1.038
local terms energy: -198.703640
where:
bonds (distance) C4'-P energy: -57.525
bonds (distance) P-C4' energy: -63.320
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -5.345
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: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -284.546584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.546584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.546584 (E_RNA)
where:
Base-Base interactions energy: -96.021
where: short stacking energy: -55.712
Base-Backbone interact. energy: -1.195
local terms energy: -187.330021
where:
bonds (distance) C4'-P energy: -60.532
bonds (distance) P-C4' energy: -63.535
flat angles C4'-P-C4' energy: -45.648
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: 4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1107.971806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.971806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.971806 (E_RNA)
where:
Base-Base interactions energy: -766.764
where: short stacking energy: -293.303
Base-Backbone interact. energy: -1.878
local terms energy: -339.330380
where:
bonds (distance) C4'-P energy: -58.373
bonds (distance) P-C4' energy: -70.247
flat angles C4'-P-C4' energy: -67.097
flat angles P-C4'-P energy: -49.062
tors. eta vs tors. theta energy: -94.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1046.353679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.353679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.353679 (E_RNA)
where:
Base-Base interactions energy: -686.431
where: short stacking energy: -307.749
Base-Backbone interact. energy: -0.219
local terms energy: -359.703403
where:
bonds (distance) C4'-P energy: -63.768
bonds (distance) P-C4' energy: -65.848
flat angles C4'-P-C4' energy: -78.754
flat angles P-C4'-P energy: -48.774
tors. eta vs tors. theta energy: -102.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1039.966965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.966965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.966965 (E_RNA)
where:
Base-Base interactions energy: -704.333
where: short stacking energy: -293.281
Base-Backbone interact. energy: -0.644
local terms energy: -334.990122
where:
bonds (distance) C4'-P energy: -60.008
bonds (distance) P-C4' energy: -66.422
flat angles C4'-P-C4' energy: -67.857
flat angles P-C4'-P energy: -45.730
tors. eta vs tors. theta energy: -94.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -866.580948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.580948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.580948 (E_RNA)
where:
Base-Base interactions energy: -559.420
where: short stacking energy: -233.721
Base-Backbone interact. energy: -0.591
local terms energy: -306.569284
where:
bonds (distance) C4'-P energy: -67.748
bonds (distance) P-C4' energy: -63.829
flat angles C4'-P-C4' energy: -66.934
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -68.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -809.917900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.917900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.917900 (E_RNA)
where:
Base-Base interactions energy: -540.874
where: short stacking energy: -221.042
Base-Backbone interact. energy: -0.790
local terms energy: -268.253227
where:
bonds (distance) C4'-P energy: -54.814
bonds (distance) P-C4' energy: -56.764
flat angles C4'-P-C4' energy: -51.444
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -63.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -491.923462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.923462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.923462 (E_RNA)
where:
Base-Base interactions energy: -240.385
where: short stacking energy: -140.164
Base-Backbone interact. energy: -0.442
local terms energy: -251.097355
where:
bonds (distance) C4'-P energy: -63.788
bonds (distance) P-C4' energy: -50.509
flat angles C4'-P-C4' energy: -73.453
flat angles P-C4'-P energy: -36.701
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -473.839650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.839650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.839650 (E_RNA)
where:
Base-Base interactions energy: -250.760
where: short stacking energy: -121.414
Base-Backbone interact. energy: -1.189
local terms energy: -221.891518
where:
bonds (distance) C4'-P energy: -56.787
bonds (distance) P-C4' energy: -67.065
flat angles C4'-P-C4' energy: -47.704
flat angles P-C4'-P energy: -33.118
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -323.793821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.793821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.793821 (E_RNA)
where:
Base-Base interactions energy: -134.378
where: short stacking energy: -88.447
Base-Backbone interact. energy: -1.776
local terms energy: -187.639451
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -58.013
flat angles C4'-P-C4' energy: -49.295
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -295.598845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.598845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.598845 (E_RNA)
where:
Base-Base interactions energy: -105.546
where: short stacking energy: -100.501
Base-Backbone interact. energy: -2.651
local terms energy: -187.401440
where:
bonds (distance) C4'-P energy: -53.327
bonds (distance) P-C4' energy: -58.069
flat angles C4'-P-C4' energy: -50.322
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -4.961
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: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -257.001580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.001580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.001580 (E_RNA)
where:
Base-Base interactions energy: -93.081
where: short stacking energy: -69.150
Base-Backbone interact. energy: -0.064
local terms energy: -163.856172
where:
bonds (distance) C4'-P energy: -48.200
bonds (distance) P-C4' energy: -58.990
flat angles C4'-P-C4' energy: -44.092
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: 10.047
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: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1097.941662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.941662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.941662 (E_RNA)
where:
Base-Base interactions energy: -745.473
where: short stacking energy: -299.550
Base-Backbone interact. energy: -1.793
local terms energy: -350.675260
where:
bonds (distance) C4'-P energy: -75.563
bonds (distance) P-C4' energy: -49.964
flat angles C4'-P-C4' energy: -82.877
flat angles P-C4'-P energy: -47.371
tors. eta vs tors. theta energy: -94.901
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: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1043.383150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.383150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.383150 (E_RNA)
where:
Base-Base interactions energy: -680.435
where: short stacking energy: -274.132
Base-Backbone interact. energy: -1.562
local terms energy: -361.385891
where:
bonds (distance) C4'-P energy: -68.127
bonds (distance) P-C4' energy: -69.815
flat angles C4'-P-C4' energy: -70.735
flat angles P-C4'-P energy: -60.799
tors. eta vs tors. theta energy: -91.910
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: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -987.432752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.432752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.432752 (E_RNA)
where:
Base-Base interactions energy: -650.798
where: short stacking energy: -297.353
Base-Backbone interact. energy: -0.199
local terms energy: -336.436006
where:
bonds (distance) C4'-P energy: -56.909
bonds (distance) P-C4' energy: -55.215
flat angles C4'-P-C4' energy: -77.065
flat angles P-C4'-P energy: -51.012
tors. eta vs tors. theta energy: -96.235
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: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -832.146666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.146666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.146666 (E_RNA)
where:
Base-Base interactions energy: -556.941
where: short stacking energy: -234.777
Base-Backbone interact. energy: -1.530
local terms energy: -273.675661
where:
bonds (distance) C4'-P energy: -58.356
bonds (distance) P-C4' energy: -63.127
flat angles C4'-P-C4' energy: -58.358
flat angles P-C4'-P energy: -27.133
tors. eta vs tors. theta energy: -66.703
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: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -778.528801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.528801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.528801 (E_RNA)
where:
Base-Base interactions energy: -477.918
where: short stacking energy: -234.052
Base-Backbone interact. energy: -2.015
local terms energy: -298.595668
where:
bonds (distance) C4'-P energy: -62.239
bonds (distance) P-C4' energy: -58.398
flat angles C4'-P-C4' energy: -62.281
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: -78.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -502.717782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.717782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.717782 (E_RNA)
where:
Base-Base interactions energy: -258.720
where: short stacking energy: -137.787
Base-Backbone interact. energy: -0.912
local terms energy: -243.085537
where:
bonds (distance) C4'-P energy: -55.908
bonds (distance) P-C4' energy: -65.185
flat angles C4'-P-C4' energy: -50.478
flat angles P-C4'-P energy: -34.259
tors. eta vs tors. theta energy: -37.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -484.652366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.652366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.652366 (E_RNA)
where:
Base-Base interactions energy: -249.859
where: short stacking energy: -150.817
Base-Backbone interact. energy: 1.739
local terms energy: -236.531737
where:
bonds (distance) C4'-P energy: -57.875
bonds (distance) P-C4' energy: -59.243
flat angles C4'-P-C4' energy: -46.693
flat angles P-C4'-P energy: -34.377
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: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -305.886695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.886695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.886695 (E_RNA)
where:
Base-Base interactions energy: -112.861
where: short stacking energy: -81.023
Base-Backbone interact. energy: -1.421
local terms energy: -191.604391
where:
bonds (distance) C4'-P energy: -58.425
bonds (distance) P-C4' energy: -57.637
flat angles C4'-P-C4' energy: -51.260
flat angles P-C4'-P energy: -25.183
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -262.461897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.461897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.461897 (E_RNA)
where:
Base-Base interactions energy: -85.448
where: short stacking energy: -83.791
Base-Backbone interact. energy: 5.506
local terms energy: -182.695092
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -65.654
flat angles C4'-P-C4' energy: -42.523
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: 2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.176 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -267.966268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.966268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.966268 (E_RNA)
where:
Base-Base interactions energy: -103.252
where: short stacking energy: -68.338
Base-Backbone interact. energy: 8.594
local terms energy: -173.308911
where:
bonds (distance) C4'-P energy: -53.144
bonds (distance) P-C4' energy: -59.915
flat angles C4'-P-C4' energy: -48.941
flat angles P-C4'-P energy: -20.529
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: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1081.511369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.511369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.511369 (E_RNA)
where:
Base-Base interactions energy: -739.808
where: short stacking energy: -295.321
Base-Backbone interact. energy: -3.633
local terms energy: -338.070351
where:
bonds (distance) C4'-P energy: -65.273
bonds (distance) P-C4' energy: -68.515
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -37.858
tors. eta vs tors. theta energy: -103.966
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: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1067.939236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.939236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.939236 (E_RNA)
where:
Base-Base interactions energy: -713.163
where: short stacking energy: -314.365
Base-Backbone interact. energy: -0.691
local terms energy: -354.084755
where:
bonds (distance) C4'-P energy: -65.562
bonds (distance) P-C4' energy: -71.156
flat angles C4'-P-C4' energy: -72.074
flat angles P-C4'-P energy: -42.120
tors. eta vs tors. theta energy: -103.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1004.162158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.162158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.162158 (E_RNA)
where:
Base-Base interactions energy: -641.752
where: short stacking energy: -282.411
Base-Backbone interact. energy: 0.482
local terms energy: -362.892057
where:
bonds (distance) C4'-P energy: -67.974
bonds (distance) P-C4' energy: -68.453
flat angles C4'-P-C4' energy: -74.575
flat angles P-C4'-P energy: -49.953
tors. eta vs tors. theta energy: -101.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -818.915253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.915253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.915253 (E_RNA)
where:
Base-Base interactions energy: -541.218
where: short stacking energy: -233.691
Base-Backbone interact. energy: -1.371
local terms energy: -276.326576
where:
bonds (distance) C4'-P energy: -64.006
bonds (distance) P-C4' energy: -63.865
flat angles C4'-P-C4' energy: -59.167
flat angles P-C4'-P energy: -34.720
tors. eta vs tors. theta energy: -54.568
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: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -761.857102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.857102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.857102 (E_RNA)
where:
Base-Base interactions energy: -471.033
where: short stacking energy: -221.434
Base-Backbone interact. energy: -1.389
local terms energy: -289.434507
where:
bonds (distance) C4'-P energy: -68.193
bonds (distance) P-C4' energy: -53.353
flat angles C4'-P-C4' energy: -55.977
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: -68.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -486.238496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.238496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.238496 (E_RNA)
where:
Base-Base interactions energy: -248.539
where: short stacking energy: -107.220
Base-Backbone interact. energy: -2.336
local terms energy: -235.363948
where:
bonds (distance) C4'-P energy: -63.076
bonds (distance) P-C4' energy: -68.171
flat angles C4'-P-C4' energy: -58.126
flat angles P-C4'-P energy: -31.054
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -398.066350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.066350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.066350 (E_RNA)
where:
Base-Base interactions energy: -192.942
where: short stacking energy: -111.817
Base-Backbone interact. energy: 1.929
local terms energy: -207.053441
where:
bonds (distance) C4'-P energy: -65.066
bonds (distance) P-C4' energy: -59.861
flat angles C4'-P-C4' energy: -38.709
flat angles P-C4'-P energy: -34.469
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -302.387049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.387049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.387049 (E_RNA)
where:
Base-Base interactions energy: -113.223
where: short stacking energy: -89.781
Base-Backbone interact. energy: 1.532
local terms energy: -190.695335
where:
bonds (distance) C4'-P energy: -68.300
bonds (distance) P-C4' energy: -55.557
flat angles C4'-P-C4' energy: -54.854
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: 7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -302.236819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.236819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.236819 (E_RNA)
where:
Base-Base interactions energy: -112.123
where: short stacking energy: -67.995
Base-Backbone interact. energy: -1.385
local terms energy: -188.764613
where:
bonds (distance) C4'-P energy: -54.318
bonds (distance) P-C4' energy: -62.293
flat angles C4'-P-C4' energy: -44.181
flat angles P-C4'-P energy: -41.757
tors. eta vs tors. theta energy: 13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.036 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -267.449169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.449169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.449169 (E_RNA)
where:
Base-Base interactions energy: -111.462
where: short stacking energy: -59.500
Base-Backbone interact. energy: -1.583
local terms energy: -154.403422
where:
bonds (distance) C4'-P energy: -59.793
bonds (distance) P-C4' energy: -54.312
flat angles C4'-P-C4' energy: -34.736
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: 23.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1094.516930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.516930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.516930 (E_RNA)
where:
Base-Base interactions energy: -742.446
where: short stacking energy: -290.901
Base-Backbone interact. energy: 1.894
local terms energy: -353.964694
where:
bonds (distance) C4'-P energy: -74.470
bonds (distance) P-C4' energy: -65.567
flat angles C4'-P-C4' energy: -74.430
flat angles P-C4'-P energy: -51.704
tors. eta vs tors. theta energy: -87.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1046.531164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.531164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.531164 (E_RNA)
where:
Base-Base interactions energy: -691.613
where: short stacking energy: -294.243
Base-Backbone interact. energy: 0.993
local terms energy: -355.911757
where:
bonds (distance) C4'-P energy: -68.496
bonds (distance) P-C4' energy: -66.437
flat angles C4'-P-C4' energy: -74.326
flat angles P-C4'-P energy: -47.734
tors. eta vs tors. theta energy: -98.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1026.048775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.048775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.048775 (E_RNA)
where:
Base-Base interactions energy: -682.873
where: short stacking energy: -301.003
Base-Backbone interact. energy: -1.029
local terms energy: -342.146036
where:
bonds (distance) C4'-P energy: -70.057
bonds (distance) P-C4' energy: -57.387
flat angles C4'-P-C4' energy: -61.522
flat angles P-C4'-P energy: -49.361
tors. eta vs tors. theta energy: -103.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -833.621371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.621371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.621371 (E_RNA)
where:
Base-Base interactions energy: -541.405
where: short stacking energy: -238.442
Base-Backbone interact. energy: 1.618
local terms energy: -293.834023
where:
bonds (distance) C4'-P energy: -57.674
bonds (distance) P-C4' energy: -71.450
flat angles C4'-P-C4' energy: -62.028
flat angles P-C4'-P energy: -37.109
tors. eta vs tors. theta energy: -65.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -751.740879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.740879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.740879 (E_RNA)
where:
Base-Base interactions energy: -478.518
where: short stacking energy: -195.126
Base-Backbone interact. energy: -1.399
local terms energy: -271.824417
where:
bonds (distance) C4'-P energy: -52.928
bonds (distance) P-C4' energy: -66.005
flat angles C4'-P-C4' energy: -65.562
flat angles P-C4'-P energy: -38.036
tors. eta vs tors. theta energy: -49.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -551.106020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.106020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.106020 (E_RNA)
where:
Base-Base interactions energy: -318.323
where: short stacking energy: -159.676
Base-Backbone interact. energy: 0.903
local terms energy: -233.685773
where:
bonds (distance) C4'-P energy: -48.251
bonds (distance) P-C4' energy: -63.972
flat angles C4'-P-C4' energy: -60.800
flat angles P-C4'-P energy: -36.485
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -427.800986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.800986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.800986 (E_RNA)
where:
Base-Base interactions energy: -217.945
where: short stacking energy: -121.435
Base-Backbone interact. energy: -1.586
local terms energy: -208.270488
where:
bonds (distance) C4'-P energy: -55.985
bonds (distance) P-C4' energy: -55.656
flat angles C4'-P-C4' energy: -49.231
flat angles P-C4'-P energy: -32.732
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -294.999602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.999602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.999602 (E_RNA)
where:
Base-Base interactions energy: -81.457
where: short stacking energy: -72.177
Base-Backbone interact. energy: 0.053
local terms energy: -213.596113
where:
bonds (distance) C4'-P energy: -63.339
bonds (distance) P-C4' energy: -56.412
flat angles C4'-P-C4' energy: -51.257
flat angles P-C4'-P energy: -37.778
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: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -284.470368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.470368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.470368 (E_RNA)
where:
Base-Base interactions energy: -109.313
where: short stacking energy: -77.753
Base-Backbone interact. energy: 0.236
local terms energy: -175.392850
where:
bonds (distance) C4'-P energy: -66.627
bonds (distance) P-C4' energy: -51.787
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -262.119442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.119442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.119442 (E_RNA)
where:
Base-Base interactions energy: -95.676
where: short stacking energy: -66.594
Base-Backbone interact. energy: 1.433
local terms energy: -167.876183
where:
bonds (distance) C4'-P energy: -55.072
bonds (distance) P-C4' energy: -54.955
flat angles C4'-P-C4' energy: -48.676
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: 10.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1095.589191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.589191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.589191 (E_RNA)
where:
Base-Base interactions energy: -737.758
where: short stacking energy: -311.916
Base-Backbone interact. energy: -3.240
local terms energy: -354.590360
where:
bonds (distance) C4'-P energy: -65.006
bonds (distance) P-C4' energy: -72.265
flat angles C4'-P-C4' energy: -76.087
flat angles P-C4'-P energy: -45.942
tors. eta vs tors. theta energy: -95.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1050.872672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.872672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.872672 (E_RNA)
where:
Base-Base interactions energy: -695.559
where: short stacking energy: -286.732
Base-Backbone interact. energy: 0.311
local terms energy: -355.624895
where:
bonds (distance) C4'-P energy: -66.666
bonds (distance) P-C4' energy: -66.038
flat angles C4'-P-C4' energy: -72.629
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -103.242
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: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1013.050872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.050872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.050872 (E_RNA)
where:
Base-Base interactions energy: -682.100
where: short stacking energy: -292.164
Base-Backbone interact. energy: 0.303
local terms energy: -331.253276
where:
bonds (distance) C4'-P energy: -57.990
bonds (distance) P-C4' energy: -64.982
flat angles C4'-P-C4' energy: -67.145
flat angles P-C4'-P energy: -39.719
tors. eta vs tors. theta energy: -101.418
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: 204
Temperature: 1.050000
Total energy: -843.227909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.227909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.227909 (E_RNA)
where:
Base-Base interactions energy: -549.899
where: short stacking energy: -225.885
Base-Backbone interact. energy: -0.678
local terms energy: -292.650854
where:
bonds (distance) C4'-P energy: -62.877
bonds (distance) P-C4' energy: -68.829
flat angles C4'-P-C4' energy: -63.445
flat angles P-C4'-P energy: -37.713
tors. eta vs tors. theta energy: -59.786
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: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -784.152109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.152109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.152109 (E_RNA)
where:
Base-Base interactions energy: -499.032
where: short stacking energy: -216.076
Base-Backbone interact. energy: 1.365
local terms energy: -286.484737
where:
bonds (distance) C4'-P energy: -65.517
bonds (distance) P-C4' energy: -61.869
flat angles C4'-P-C4' energy: -64.469
flat angles P-C4'-P energy: -49.756
tors. eta vs tors. theta energy: -44.874
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: 204
Temperature: 1.150000
Total energy: -534.338908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.338908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.338908 (E_RNA)
where:
Base-Base interactions energy: -275.103
where: short stacking energy: -132.907
Base-Backbone interact. energy: -0.378
local terms energy: -258.857655
where:
bonds (distance) C4'-P energy: -68.854
bonds (distance) P-C4' energy: -58.545
flat angles C4'-P-C4' energy: -60.623
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: -35.513
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: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -388.163207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.163207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.163207 (E_RNA)
where:
Base-Base interactions energy: -169.795
where: short stacking energy: -107.981
Base-Backbone interact. energy: -0.204
local terms energy: -218.164527
where:
bonds (distance) C4'-P energy: -43.987
bonds (distance) P-C4' energy: -69.915
flat angles C4'-P-C4' energy: -53.017
flat angles P-C4'-P energy: -29.697
tors. eta vs tors. theta energy: -21.549
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: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -276.341965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.341965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.341965 (E_RNA)
where:
Base-Base interactions energy: -88.110
where: short stacking energy: -73.265
Base-Backbone interact. energy: -1.501
local terms energy: -186.730902
where:
bonds (distance) C4'-P energy: -45.309
bonds (distance) P-C4' energy: -59.662
flat angles C4'-P-C4' energy: -60.791
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: 12.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -290.224040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.224040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.224040 (E_RNA)
where:
Base-Base interactions energy: -93.976
where: short stacking energy: -62.507
Base-Backbone interact. energy: -3.320
local terms energy: -192.928930
where:
bonds (distance) C4'-P energy: -55.827
bonds (distance) P-C4' energy: -77.998
flat angles C4'-P-C4' energy: -56.433
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: 20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -249.027278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.027278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.027278 (E_RNA)
where:
Base-Base interactions energy: -66.046
where: short stacking energy: -55.340
Base-Backbone interact. energy: -1.070
local terms energy: -182.248228
where:
bonds (distance) C4'-P energy: -62.052
bonds (distance) P-C4' energy: -71.124
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: 8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.336 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1096.159057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.159057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.159057 (E_RNA)
where:
Base-Base interactions energy: -750.455
where: short stacking energy: -301.741
Base-Backbone interact. energy: -4.516
local terms energy: -341.187321
where:
bonds (distance) C4'-P energy: -68.433
bonds (distance) P-C4' energy: -67.799
flat angles C4'-P-C4' energy: -63.355
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -91.865
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: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1059.301789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.301789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.301789 (E_RNA)
where:
Base-Base interactions energy: -713.101
where: short stacking energy: -291.361
Base-Backbone interact. energy: -0.186
local terms energy: -346.013901
where:
bonds (distance) C4'-P energy: -66.641
bonds (distance) P-C4' energy: -61.965
flat angles C4'-P-C4' energy: -74.151
flat angles P-C4'-P energy: -44.285
tors. eta vs tors. theta energy: -98.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1040.212641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.212641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.212641 (E_RNA)
where:
Base-Base interactions energy: -667.767
where: short stacking energy: -316.062
Base-Backbone interact. energy: 0.049
local terms energy: -372.494045
where:
bonds (distance) C4'-P energy: -64.344
bonds (distance) P-C4' energy: -73.833
flat angles C4'-P-C4' energy: -80.147
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -109.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -847.272520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.272520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.272520 (E_RNA)
where:
Base-Base interactions energy: -535.920
where: short stacking energy: -228.393
Base-Backbone interact. energy: -0.274
local terms energy: -311.078216
where:
bonds (distance) C4'-P energy: -60.939
bonds (distance) P-C4' energy: -72.227
flat angles C4'-P-C4' energy: -65.487
flat angles P-C4'-P energy: -48.270
tors. eta vs tors. theta energy: -64.155
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: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -796.904937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.904937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.904937 (E_RNA)
where:
Base-Base interactions energy: -494.549
where: short stacking energy: -231.060
Base-Backbone interact. energy: -1.685
local terms energy: -300.670830
where:
bonds (distance) C4'-P energy: -65.250
bonds (distance) P-C4' energy: -58.325
flat angles C4'-P-C4' energy: -65.204
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -70.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -529.525683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.525683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.525683 (E_RNA)
where:
Base-Base interactions energy: -310.631
where: short stacking energy: -125.873
Base-Backbone interact. energy: -0.991
local terms energy: -217.903711
where:
bonds (distance) C4'-P energy: -58.618
bonds (distance) P-C4' energy: -57.035
flat angles C4'-P-C4' energy: -48.931
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: -21.165
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: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -414.053827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.053827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.053827 (E_RNA)
where:
Base-Base interactions energy: -187.884
where: short stacking energy: -111.757
Base-Backbone interact. energy: 1.649
local terms energy: -227.818382
where:
bonds (distance) C4'-P energy: -60.120
bonds (distance) P-C4' energy: -65.740
flat angles C4'-P-C4' energy: -45.485
flat angles P-C4'-P energy: -43.719
tors. eta vs tors. theta energy: -12.755
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: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -302.355849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.355849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.355849 (E_RNA)
where:
Base-Base interactions energy: -120.255
where: short stacking energy: -82.889
Base-Backbone interact. energy: -0.405
local terms energy: -181.694873
where:
bonds (distance) C4'-P energy: -45.055
bonds (distance) P-C4' energy: -51.566
flat angles C4'-P-C4' energy: -57.296
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: 5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -285.362299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.362299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.362299 (E_RNA)
where:
Base-Base interactions energy: -97.770
where: short stacking energy: -76.501
Base-Backbone interact. energy: -0.417
local terms energy: -187.175786
where:
bonds (distance) C4'-P energy: -54.865
bonds (distance) P-C4' energy: -55.127
flat angles C4'-P-C4' energy: -46.518
flat angles P-C4'-P energy: -37.976
tors. eta vs tors. theta energy: 7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -255.301056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.301056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.301056 (E_RNA)
where:
Base-Base interactions energy: -95.026
where: short stacking energy: -68.604
Base-Backbone interact. energy: -1.233
local terms energy: -159.042202
where:
bonds (distance) C4'-P energy: -53.689
bonds (distance) P-C4' energy: -48.816
flat angles C4'-P-C4' energy: -39.615
flat angles P-C4'-P energy: -26.128
tors. eta vs tors. theta energy: 9.207
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: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1073.618962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.618962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.618962 (E_RNA)
where:
Base-Base interactions energy: -727.583
where: short stacking energy: -301.193
Base-Backbone interact. energy: -0.894
local terms energy: -345.142374
where:
bonds (distance) C4'-P energy: -62.658
bonds (distance) P-C4' energy: -67.408
flat angles C4'-P-C4' energy: -75.882
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -99.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1026.013342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.013342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.013342 (E_RNA)
where:
Base-Base interactions energy: -690.569
where: short stacking energy: -285.098
Base-Backbone interact. energy: -1.308
local terms energy: -334.135633
where:
bonds (distance) C4'-P energy: -72.323
bonds (distance) P-C4' energy: -63.892
flat angles C4'-P-C4' energy: -69.785
flat angles P-C4'-P energy: -39.389
tors. eta vs tors. theta energy: -88.746
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: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1038.728707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.728707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.728707 (E_RNA)
where:
Base-Base interactions energy: -700.387
where: short stacking energy: -309.006
Base-Backbone interact. energy: 0.245
local terms energy: -338.586606
where:
bonds (distance) C4'-P energy: -62.617
bonds (distance) P-C4' energy: -51.202
flat angles C4'-P-C4' energy: -65.472
flat angles P-C4'-P energy: -53.279
tors. eta vs tors. theta energy: -106.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -842.216034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.216034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.216034 (E_RNA)
where:
Base-Base interactions energy: -551.891
where: short stacking energy: -239.132
Base-Backbone interact. energy: -0.729
local terms energy: -289.595902
where:
bonds (distance) C4'-P energy: -66.158
bonds (distance) P-C4' energy: -50.089
flat angles C4'-P-C4' energy: -59.591
flat angles P-C4'-P energy: -44.686
tors. eta vs tors. theta energy: -69.070
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: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -776.443394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.443394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.443394 (E_RNA)
where:
Base-Base interactions energy: -484.048
where: short stacking energy: -236.000
Base-Backbone interact. energy: -0.243
local terms energy: -292.153184
where:
bonds (distance) C4'-P energy: -62.217
bonds (distance) P-C4' energy: -63.398
flat angles C4'-P-C4' energy: -66.719
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -63.082
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: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -545.912353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.912353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.912353 (E_RNA)
where:
Base-Base interactions energy: -301.265
where: short stacking energy: -166.807
Base-Backbone interact. energy: 0.777
local terms energy: -245.424477
where:
bonds (distance) C4'-P energy: -66.930
bonds (distance) P-C4' energy: -50.801
flat angles C4'-P-C4' energy: -53.018
flat angles P-C4'-P energy: -47.211
tors. eta vs tors. theta energy: -27.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -433.353313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.353313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.353313 (E_RNA)
where:
Base-Base interactions energy: -207.911
where: short stacking energy: -114.447
Base-Backbone interact. energy: -0.022
local terms energy: -225.420538
where:
bonds (distance) C4'-P energy: -56.486
bonds (distance) P-C4' energy: -75.285
flat angles C4'-P-C4' energy: -43.111
flat angles P-C4'-P energy: -42.740
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -302.783971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.783971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.783971 (E_RNA)
where:
Base-Base interactions energy: -82.267
where: short stacking energy: -70.640
Base-Backbone interact. energy: -0.571
local terms energy: -219.946469
where:
bonds (distance) C4'-P energy: -66.878
bonds (distance) P-C4' energy: -64.967
flat angles C4'-P-C4' energy: -47.768
flat angles P-C4'-P energy: -36.656
tors. eta vs tors. theta energy: -3.679
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: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -300.288090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.288090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.288090 (E_RNA)
where:
Base-Base interactions energy: -109.716
where: short stacking energy: -95.681
Base-Backbone interact. energy: 0.676
local terms energy: -191.248818
where:
bonds (distance) C4'-P energy: -54.158
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -47.817
flat angles P-C4'-P energy: -30.592
tors. eta vs tors. theta energy: 3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -270.407464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.407464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.407464 (E_RNA)
where:
Base-Base interactions energy: -83.639
where: short stacking energy: -58.806
Base-Backbone interact. energy: -1.374
local terms energy: -185.704297
where:
bonds (distance) C4'-P energy: -49.402
bonds (distance) P-C4' energy: -67.853
flat angles C4'-P-C4' energy: -48.027
flat angles P-C4'-P energy: -33.346
tors. eta vs tors. theta energy: 12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.310 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1067.103633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.103633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.103633 (E_RNA)
where:
Base-Base interactions energy: -725.753
where: short stacking energy: -299.828
Base-Backbone interact. energy: 0.156
local terms energy: -341.506192
where:
bonds (distance) C4'-P energy: -68.895
bonds (distance) P-C4' energy: -69.729
flat angles C4'-P-C4' energy: -70.528
flat angles P-C4'-P energy: -46.575
tors. eta vs tors. theta energy: -85.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1050.177302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.177302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.177302 (E_RNA)
where:
Base-Base interactions energy: -689.306
where: short stacking energy: -321.917
Base-Backbone interact. energy: 2.246
local terms energy: -363.117332
where:
bonds (distance) C4'-P energy: -69.611
bonds (distance) P-C4' energy: -69.140
flat angles C4'-P-C4' energy: -72.947
flat angles P-C4'-P energy: -43.983
tors. eta vs tors. theta energy: -107.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1001.588007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.588007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.588007 (E_RNA)
where:
Base-Base interactions energy: -670.509
where: short stacking energy: -272.615
Base-Backbone interact. energy: -0.048
local terms energy: -331.030738
where:
bonds (distance) C4'-P energy: -57.891
bonds (distance) P-C4' energy: -59.664
flat angles C4'-P-C4' energy: -68.334
flat angles P-C4'-P energy: -53.382
tors. eta vs tors. theta energy: -91.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -863.196668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.196668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.196668 (E_RNA)
where:
Base-Base interactions energy: -563.837
where: short stacking energy: -253.730
Base-Backbone interact. energy: 0.065
local terms energy: -299.424379
where:
bonds (distance) C4'-P energy: -62.878
bonds (distance) P-C4' energy: -63.632
flat angles C4'-P-C4' energy: -63.563
flat angles P-C4'-P energy: -46.855
tors. eta vs tors. theta energy: -62.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -798.399798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.399798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.399798 (E_RNA)
where:
Base-Base interactions energy: -483.656
where: short stacking energy: -227.094
Base-Backbone interact. energy: -3.291
local terms energy: -311.452400
where:
bonds (distance) C4'-P energy: -72.813
bonds (distance) P-C4' energy: -61.749
flat angles C4'-P-C4' energy: -60.511
flat angles P-C4'-P energy: -47.777
tors. eta vs tors. theta energy: -68.602
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: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -504.306002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.306002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.306002 (E_RNA)
where:
Base-Base interactions energy: -272.801
where: short stacking energy: -129.787
Base-Backbone interact. energy: 5.878
local terms energy: -237.382867
where:
bonds (distance) C4'-P energy: -55.822
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -64.729
flat angles P-C4'-P energy: -41.630
tors. eta vs tors. theta energy: -23.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -389.316779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.316779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.316779 (E_RNA)
where:
Base-Base interactions energy: -170.641
where: short stacking energy: -88.088
Base-Backbone interact. energy: -1.221
local terms energy: -217.454769
where:
bonds (distance) C4'-P energy: -61.832
bonds (distance) P-C4' energy: -63.776
flat angles C4'-P-C4' energy: -45.198
flat angles P-C4'-P energy: -36.650
tors. eta vs tors. theta energy: -9.999
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: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -318.015022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.015022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.015022 (E_RNA)
where:
Base-Base interactions energy: -115.544
where: short stacking energy: -83.111
Base-Backbone interact. energy: 0.579
local terms energy: -203.049248
where:
bonds (distance) C4'-P energy: -58.713
bonds (distance) P-C4' energy: -59.382
flat angles C4'-P-C4' energy: -49.487
flat angles P-C4'-P energy: -27.912
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -279.424470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.424470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.424470 (E_RNA)
where:
Base-Base interactions energy: -106.117
where: short stacking energy: -80.477
Base-Backbone interact. energy: 0.186
local terms energy: -173.493657
where:
bonds (distance) C4'-P energy: -56.425
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -46.556
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: 19.332
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: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -269.965594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.965594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.965594 (E_RNA)
where:
Base-Base interactions energy: -91.572
where: short stacking energy: -69.799
Base-Backbone interact. energy: -0.644
local terms energy: -177.749583
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -57.893
flat angles C4'-P-C4' energy: -41.588
flat angles P-C4'-P energy: -25.031
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1074.909983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.909983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.909983 (E_RNA)
where:
Base-Base interactions energy: -731.062
where: short stacking energy: -311.366
Base-Backbone interact. energy: -0.473
local terms energy: -343.630553
where:
bonds (distance) C4'-P energy: -61.541
bonds (distance) P-C4' energy: -60.745
flat angles C4'-P-C4' energy: -68.761
flat angles P-C4'-P energy: -51.919
tors. eta vs tors. theta energy: -100.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.256 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1052.357709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.357709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.357709 (E_RNA)
where:
Base-Base interactions energy: -691.672
where: short stacking energy: -314.481
Base-Backbone interact. energy: 3.960
local terms energy: -364.645425
where:
bonds (distance) C4'-P energy: -70.410
bonds (distance) P-C4' energy: -67.156
flat angles C4'-P-C4' energy: -79.872
flat angles P-C4'-P energy: -43.725
tors. eta vs tors. theta energy: -103.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -995.505871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.505871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.505871 (E_RNA)
where:
Base-Base interactions energy: -671.403
where: short stacking energy: -284.373
Base-Backbone interact. energy: 0.005
local terms energy: -324.107453
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -74.732
flat angles P-C4'-P energy: -41.158
tors. eta vs tors. theta energy: -91.052
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: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -961.034726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.034726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.034726 (E_RNA)
where:
Base-Base interactions energy: -651.821
where: short stacking energy: -295.648
Base-Backbone interact. energy: 0.044
local terms energy: -309.258023
where:
bonds (distance) C4'-P energy: -64.189
bonds (distance) P-C4' energy: -59.326
flat angles C4'-P-C4' energy: -62.373
flat angles P-C4'-P energy: -35.541
tors. eta vs tors. theta energy: -87.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -773.886492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.886492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.886492 (E_RNA)
where:
Base-Base interactions energy: -485.584
where: short stacking energy: -208.060
Base-Backbone interact. energy: -0.637
local terms energy: -287.666252
where:
bonds (distance) C4'-P energy: -59.569
bonds (distance) P-C4' energy: -65.964
flat angles C4'-P-C4' energy: -69.812
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -61.416
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: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -547.496731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.496731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.496731 (E_RNA)
where:
Base-Base interactions energy: -290.847
where: short stacking energy: -154.429
Base-Backbone interact. energy: -0.536
local terms energy: -256.113533
where:
bonds (distance) C4'-P energy: -56.868
bonds (distance) P-C4' energy: -64.303
flat angles C4'-P-C4' energy: -65.742
flat angles P-C4'-P energy: -34.695
tors. eta vs tors. theta energy: -34.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -428.579831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.579831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.579831 (E_RNA)
where:
Base-Base interactions energy: -187.387
where: short stacking energy: -107.129
Base-Backbone interact. energy: -0.470
local terms energy: -240.722631
where:
bonds (distance) C4'-P energy: -69.291
bonds (distance) P-C4' energy: -64.238
flat angles C4'-P-C4' energy: -53.614
flat angles P-C4'-P energy: -28.187
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -327.721859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.721859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.721859 (E_RNA)
where:
Base-Base interactions energy: -146.282
where: short stacking energy: -92.163
Base-Backbone interact. energy: 0.758
local terms energy: -182.197427
where:
bonds (distance) C4'-P energy: -46.509
bonds (distance) P-C4' energy: -55.516
flat angles C4'-P-C4' energy: -54.028
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: 1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -263.843054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.843054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.843054 (E_RNA)
where:
Base-Base interactions energy: -97.169
where: short stacking energy: -59.664
Base-Backbone interact. energy: -1.772
local terms energy: -164.902317
where:
bonds (distance) C4'-P energy: -62.836
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -41.251
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: 26.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -254.924041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.924041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.924041 (E_RNA)
where:
Base-Base interactions energy: -84.539
where: short stacking energy: -67.491
Base-Backbone interact. energy: 7.150
local terms energy: -177.534883
where:
bonds (distance) C4'-P energy: -55.171
bonds (distance) P-C4' energy: -57.056
flat angles C4'-P-C4' energy: -38.763
flat angles P-C4'-P energy: -35.734
tors. eta vs tors. theta energy: 9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1084.162968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.162968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.162968 (E_RNA)
where:
Base-Base interactions energy: -722.854
where: short stacking energy: -301.095
Base-Backbone interact. energy: -0.401
local terms energy: -360.908047
where:
bonds (distance) C4'-P energy: -69.845
bonds (distance) P-C4' energy: -70.901
flat angles C4'-P-C4' energy: -68.394
flat angles P-C4'-P energy: -54.758
tors. eta vs tors. theta energy: -97.010
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: 209
Temperature: 0.950000
Total energy: -1046.910686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.910686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.910686 (E_RNA)
where:
Base-Base interactions energy: -689.935
where: short stacking energy: -290.495
Base-Backbone interact. energy: -0.386
local terms energy: -357.303347
where:
bonds (distance) C4'-P energy: -60.018
bonds (distance) P-C4' energy: -75.937
flat angles C4'-P-C4' energy: -72.609
flat angles P-C4'-P energy: -57.815
tors. eta vs tors. theta energy: -90.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.714 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1026.788172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.788172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.788172 (E_RNA)
where:
Base-Base interactions energy: -692.846
where: short stacking energy: -314.665
Base-Backbone interact. energy: 0.122
local terms energy: -334.064134
where:
bonds (distance) C4'-P energy: -62.658
bonds (distance) P-C4' energy: -60.039
flat angles C4'-P-C4' energy: -70.733
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: -100.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -918.582410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.582410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.582410 (E_RNA)
where:
Base-Base interactions energy: -615.623
where: short stacking energy: -260.780
Base-Backbone interact. energy: -0.713
local terms energy: -302.246256
where:
bonds (distance) C4'-P energy: -64.277
bonds (distance) P-C4' energy: -57.234
flat angles C4'-P-C4' energy: -63.491
flat angles P-C4'-P energy: -42.133
tors. eta vs tors. theta energy: -75.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -811.248162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.248162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.248162 (E_RNA)
where:
Base-Base interactions energy: -513.546
where: short stacking energy: -204.721
Base-Backbone interact. energy: -2.772
local terms energy: -294.930478
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -71.102
flat angles C4'-P-C4' energy: -58.913
flat angles P-C4'-P energy: -43.578
tors. eta vs tors. theta energy: -60.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -569.765579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.765579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.765579 (E_RNA)
where:
Base-Base interactions energy: -326.605
where: short stacking energy: -164.918
Base-Backbone interact. energy: -1.812
local terms energy: -241.348438
where:
bonds (distance) C4'-P energy: -51.057
bonds (distance) P-C4' energy: -58.630
flat angles C4'-P-C4' energy: -52.943
flat angles P-C4'-P energy: -40.262
tors. eta vs tors. theta energy: -38.458
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: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -421.307288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.307288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.307288 (E_RNA)
where:
Base-Base interactions energy: -196.143
where: short stacking energy: -110.857
Base-Backbone interact. energy: -0.640
local terms energy: -224.524434
where:
bonds (distance) C4'-P energy: -57.550
bonds (distance) P-C4' energy: -68.710
flat angles C4'-P-C4' energy: -54.730
flat angles P-C4'-P energy: -29.804
tors. eta vs tors. theta energy: -13.730
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: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -326.453269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.453269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.453269 (E_RNA)
where:
Base-Base interactions energy: -121.385
where: short stacking energy: -80.903
Base-Backbone interact. energy: 2.975
local terms energy: -208.042868
where:
bonds (distance) C4'-P energy: -63.958
bonds (distance) P-C4' energy: -64.896
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: 5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -284.147822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.147822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.147822 (E_RNA)
where:
Base-Base interactions energy: -104.302
where: short stacking energy: -72.696
Base-Backbone interact. energy: 3.912
local terms energy: -183.757458
where:
bonds (distance) C4'-P energy: -61.269
bonds (distance) P-C4' energy: -59.122
flat angles C4'-P-C4' energy: -47.654
flat angles P-C4'-P energy: -27.194
tors. eta vs tors. theta energy: 11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -263.216099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.216099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.216099 (E_RNA)
where:
Base-Base interactions energy: -123.098
where: short stacking energy: -64.273
Base-Backbone interact. energy: 10.717
local terms energy: -150.834833
where:
bonds (distance) C4'-P energy: -49.225
bonds (distance) P-C4' energy: -62.305
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: 10.577
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: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1064.666089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.666089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.666089 (E_RNA)
where:
Base-Base interactions energy: -707.693
where: short stacking energy: -314.781
Base-Backbone interact. energy: -0.800
local terms energy: -356.172902
where:
bonds (distance) C4'-P energy: -68.911
bonds (distance) P-C4' energy: -75.985
flat angles C4'-P-C4' energy: -70.375
flat angles P-C4'-P energy: -45.383
tors. eta vs tors. theta energy: -95.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1049.416711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.416711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.416711 (E_RNA)
where:
Base-Base interactions energy: -699.922
where: short stacking energy: -284.873
Base-Backbone interact. energy: -0.485
local terms energy: -349.009968
where:
bonds (distance) C4'-P energy: -54.647
bonds (distance) P-C4' energy: -70.662
flat angles C4'-P-C4' energy: -78.053
flat angles P-C4'-P energy: -50.355
tors. eta vs tors. theta energy: -95.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -999.479089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.479089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.479089 (E_RNA)
where:
Base-Base interactions energy: -654.741
where: short stacking energy: -296.770
Base-Backbone interact. energy: -0.292
local terms energy: -344.446157
where:
bonds (distance) C4'-P energy: -67.433
bonds (distance) P-C4' energy: -58.165
flat angles C4'-P-C4' energy: -70.649
flat angles P-C4'-P energy: -53.701
tors. eta vs tors. theta energy: -94.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -888.899786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.899786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.899786 (E_RNA)
where:
Base-Base interactions energy: -594.828
where: short stacking energy: -244.906
Base-Backbone interact. energy: -1.452
local terms energy: -292.619132
where:
bonds (distance) C4'-P energy: -51.741
bonds (distance) P-C4' energy: -59.871
flat angles C4'-P-C4' energy: -64.308
flat angles P-C4'-P energy: -48.189
tors. eta vs tors. theta energy: -68.511
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: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -687.960937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.960937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.960937 (E_RNA)
where:
Base-Base interactions energy: -428.635
where: short stacking energy: -185.779
Base-Backbone interact. energy: 0.813
local terms energy: -260.138506
where:
bonds (distance) C4'-P energy: -58.946
bonds (distance) P-C4' energy: -66.374
flat angles C4'-P-C4' energy: -56.318
flat angles P-C4'-P energy: -39.289
tors. eta vs tors. theta energy: -39.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -585.086120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.086120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.086120 (E_RNA)
where:
Base-Base interactions energy: -322.391
where: short stacking energy: -159.355
Base-Backbone interact. energy: -1.142
local terms energy: -261.552494
where:
bonds (distance) C4'-P energy: -61.175
bonds (distance) P-C4' energy: -53.258
flat angles C4'-P-C4' energy: -58.087
flat angles P-C4'-P energy: -47.627
tors. eta vs tors. theta energy: -41.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -455.044885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.044885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.044885 (E_RNA)
where:
Base-Base interactions energy: -216.354
where: short stacking energy: -114.865
Base-Backbone interact. energy: -0.644
local terms energy: -238.046947
where:
bonds (distance) C4'-P energy: -61.651
bonds (distance) P-C4' energy: -53.828
flat angles C4'-P-C4' energy: -61.144
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -21.003
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: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -301.690770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.690770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.690770 (E_RNA)
where:
Base-Base interactions energy: -113.431
where: short stacking energy: -84.014
Base-Backbone interact. energy: -3.155
local terms energy: -185.104303
where:
bonds (distance) C4'-P energy: -61.547
bonds (distance) P-C4' energy: -61.611
flat angles C4'-P-C4' energy: -34.612
flat angles P-C4'-P energy: -28.798
tors. eta vs tors. theta energy: 1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -291.471854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.471854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.471854 (E_RNA)
where:
Base-Base interactions energy: -107.569
where: short stacking energy: -59.997
Base-Backbone interact. energy: -0.945
local terms energy: -182.958347
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -66.557
flat angles C4'-P-C4' energy: -44.291
flat angles P-C4'-P energy: -30.368
tors. eta vs tors. theta energy: 3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -261.525440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.525440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.525440 (E_RNA)
where:
Base-Base interactions energy: -80.207
where: short stacking energy: -60.024
Base-Backbone interact. energy: -1.301
local terms energy: -180.016657
where:
bonds (distance) C4'-P energy: -44.478
bonds (distance) P-C4' energy: -56.035
flat angles C4'-P-C4' energy: -55.303
flat angles P-C4'-P energy: -26.413
tors. eta vs tors. theta energy: 2.213
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: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1071.676422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.676422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.676422 (E_RNA)
where:
Base-Base interactions energy: -721.072
where: short stacking energy: -301.714
Base-Backbone interact. energy: -2.652
local terms energy: -347.952301
where:
bonds (distance) C4'-P energy: -64.065
bonds (distance) P-C4' energy: -65.610
flat angles C4'-P-C4' energy: -65.818
flat angles P-C4'-P energy: -56.793
tors. eta vs tors. theta energy: -95.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -990.248448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.248448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.248448 (E_RNA)
where:
Base-Base interactions energy: -649.717
where: short stacking energy: -279.701
Base-Backbone interact. energy: -1.515
local terms energy: -339.016661
where:
bonds (distance) C4'-P energy: -60.543
bonds (distance) P-C4' energy: -67.644
flat angles C4'-P-C4' energy: -74.978
flat angles P-C4'-P energy: -46.814
tors. eta vs tors. theta energy: -89.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -997.039255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.039255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.039255 (E_RNA)
where:
Base-Base interactions energy: -668.373
where: short stacking energy: -274.981
Base-Backbone interact. energy: 1.918
local terms energy: -330.583608
where:
bonds (distance) C4'-P energy: -62.872
bonds (distance) P-C4' energy: -68.577
flat angles C4'-P-C4' energy: -74.066
flat angles P-C4'-P energy: -46.102
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: 211
Temperature: 1.050000
Total energy: -935.022615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.022615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.022615 (E_RNA)
where:
Base-Base interactions energy: -612.002
where: short stacking energy: -271.617
Base-Backbone interact. energy: -1.033
local terms energy: -321.987695
where:
bonds (distance) C4'-P energy: -59.511
bonds (distance) P-C4' energy: -69.459
flat angles C4'-P-C4' energy: -70.300
flat angles P-C4'-P energy: -38.424
tors. eta vs tors. theta energy: -84.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -665.488116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.488116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.488116 (E_RNA)
where:
Base-Base interactions energy: -386.031
where: short stacking energy: -187.555
Base-Backbone interact. energy: -2.945
local terms energy: -276.512038
where:
bonds (distance) C4'-P energy: -64.690
bonds (distance) P-C4' energy: -61.158
flat angles C4'-P-C4' energy: -59.256
flat angles P-C4'-P energy: -45.708
tors. eta vs tors. theta energy: -45.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -530.162091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.162091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.162091 (E_RNA)
where:
Base-Base interactions energy: -272.965
where: short stacking energy: -153.313
Base-Backbone interact. energy: -1.855
local terms energy: -255.342570
where:
bonds (distance) C4'-P energy: -57.254
bonds (distance) P-C4' energy: -67.459
flat angles C4'-P-C4' energy: -57.105
flat angles P-C4'-P energy: -38.809
tors. eta vs tors. theta energy: -34.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -509.379260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.379260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.379260 (E_RNA)
where:
Base-Base interactions energy: -286.769
where: short stacking energy: -131.182
Base-Backbone interact. energy: -0.166
local terms energy: -222.445030
where:
bonds (distance) C4'-P energy: -48.865
bonds (distance) P-C4' energy: -55.653
flat angles C4'-P-C4' energy: -63.535
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -288.467397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.467397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.467397 (E_RNA)
where:
Base-Base interactions energy: -98.935
where: short stacking energy: -96.033
Base-Backbone interact. energy: -0.670
local terms energy: -188.862136
where:
bonds (distance) C4'-P energy: -63.417
bonds (distance) P-C4' energy: -60.935
flat angles C4'-P-C4' energy: -34.386
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: 5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -295.234418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.234418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.234418 (E_RNA)
where:
Base-Base interactions energy: -107.682
where: short stacking energy: -85.249
Base-Backbone interact. energy: 1.402
local terms energy: -188.953993
where:
bonds (distance) C4'-P energy: -52.364
bonds (distance) P-C4' energy: -63.319
flat angles C4'-P-C4' energy: -51.158
flat angles P-C4'-P energy: -25.952
tors. eta vs tors. theta energy: 3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -254.533912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.533912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.533912 (E_RNA)
where:
Base-Base interactions energy: -62.697
where: short stacking energy: -52.738
Base-Backbone interact. energy: -1.004
local terms energy: -190.832810
where:
bonds (distance) C4'-P energy: -71.370
bonds (distance) P-C4' energy: -58.651
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -35.098
tors. eta vs tors. theta energy: 10.506
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: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1087.806190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.806190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.806190 (E_RNA)
where:
Base-Base interactions energy: -718.620
where: short stacking energy: -310.317
Base-Backbone interact. energy: -2.223
local terms energy: -366.963167
where:
bonds (distance) C4'-P energy: -72.036
bonds (distance) P-C4' energy: -66.477
flat angles C4'-P-C4' energy: -77.621
flat angles P-C4'-P energy: -49.724
tors. eta vs tors. theta energy: -101.105
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: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1044.826489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.826489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.826489 (E_RNA)
where:
Base-Base interactions energy: -697.715
where: short stacking energy: -288.095
Base-Backbone interact. energy: -0.411
local terms energy: -346.701221
where:
bonds (distance) C4'-P energy: -64.306
bonds (distance) P-C4' energy: -68.663
flat angles C4'-P-C4' energy: -78.294
flat angles P-C4'-P energy: -36.329
tors. eta vs tors. theta energy: -99.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1005.782993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.782993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.782993 (E_RNA)
where:
Base-Base interactions energy: -676.836
where: short stacking energy: -284.154
Base-Backbone interact. energy: 2.342
local terms energy: -331.289149
where:
bonds (distance) C4'-P energy: -67.070
bonds (distance) P-C4' energy: -57.968
flat angles C4'-P-C4' energy: -72.499
flat angles P-C4'-P energy: -40.728
tors. eta vs tors. theta energy: -93.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -908.466772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.466772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.466772 (E_RNA)
where:
Base-Base interactions energy: -599.054
where: short stacking energy: -233.269
Base-Backbone interact. energy: -1.398
local terms energy: -308.014784
where:
bonds (distance) C4'-P energy: -67.813
bonds (distance) P-C4' energy: -61.212
flat angles C4'-P-C4' energy: -64.941
flat angles P-C4'-P energy: -35.144
tors. eta vs tors. theta energy: -78.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -625.735337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.735337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.735337 (E_RNA)
where:
Base-Base interactions energy: -352.536
where: short stacking energy: -174.251
Base-Backbone interact. energy: -0.983
local terms energy: -272.216573
where:
bonds (distance) C4'-P energy: -65.668
bonds (distance) P-C4' energy: -57.025
flat angles C4'-P-C4' energy: -62.798
flat angles P-C4'-P energy: -51.065
tors. eta vs tors. theta energy: -35.660
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: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -537.899119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.899119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.899119 (E_RNA)
where:
Base-Base interactions energy: -282.431
where: short stacking energy: -151.369
Base-Backbone interact. energy: 2.369
local terms energy: -257.836890
where:
bonds (distance) C4'-P energy: -60.726
bonds (distance) P-C4' energy: -68.095
flat angles C4'-P-C4' energy: -47.156
flat angles P-C4'-P energy: -39.963
tors. eta vs tors. theta energy: -41.897
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: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -558.921431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.921431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.921431 (E_RNA)
where:
Base-Base interactions energy: -311.642
where: short stacking energy: -151.133
Base-Backbone interact. energy: -0.663
local terms energy: -246.616255
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -59.215
flat angles C4'-P-C4' energy: -65.102
flat angles P-C4'-P energy: -37.653
tors. eta vs tors. theta energy: -30.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -340.227496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.227496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.227496 (E_RNA)
where:
Base-Base interactions energy: -126.605
where: short stacking energy: -82.166
Base-Backbone interact. energy: 0.091
local terms energy: -213.714073
where:
bonds (distance) C4'-P energy: -64.196
bonds (distance) P-C4' energy: -71.071
flat angles C4'-P-C4' energy: -53.047
flat angles P-C4'-P energy: -29.726
tors. eta vs tors. theta energy: 4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -275.777113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.777113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.777113 (E_RNA)
where:
Base-Base interactions energy: -77.574
where: short stacking energy: -57.051
Base-Backbone interact. energy: -0.798
local terms energy: -197.404473
where:
bonds (distance) C4'-P energy: -58.695
bonds (distance) P-C4' energy: -65.512
flat angles C4'-P-C4' energy: -47.937
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: 12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -248.647535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.647535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.647535 (E_RNA)
where:
Base-Base interactions energy: -64.488
where: short stacking energy: -53.821
Base-Backbone interact. energy: -1.104
local terms energy: -183.055366
where:
bonds (distance) C4'-P energy: -43.794
bonds (distance) P-C4' energy: -69.764
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -34.226
tors. eta vs tors. theta energy: 19.742
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: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1105.032507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.032507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.032507 (E_RNA)
where:
Base-Base interactions energy: -750.975
where: short stacking energy: -310.662
Base-Backbone interact. energy: -1.041
local terms energy: -353.017155
where:
bonds (distance) C4'-P energy: -65.549
bonds (distance) P-C4' energy: -69.482
flat angles C4'-P-C4' energy: -70.636
flat angles P-C4'-P energy: -50.183
tors. eta vs tors. theta energy: -97.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1053.844190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.844190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.844190 (E_RNA)
where:
Base-Base interactions energy: -714.383
where: short stacking energy: -305.973
Base-Backbone interact. energy: -1.324
local terms energy: -338.136785
where:
bonds (distance) C4'-P energy: -71.278
bonds (distance) P-C4' energy: -62.279
flat angles C4'-P-C4' energy: -66.114
flat angles P-C4'-P energy: -43.344
tors. eta vs tors. theta energy: -95.121
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: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1005.352112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.352112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.352112 (E_RNA)
where:
Base-Base interactions energy: -682.171
where: short stacking energy: -293.534
Base-Backbone interact. energy: 0.291
local terms energy: -323.471928
where:
bonds (distance) C4'-P energy: -63.762
bonds (distance) P-C4' energy: -61.185
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -39.178
tors. eta vs tors. theta energy: -96.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -901.332272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.332272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.332272 (E_RNA)
where:
Base-Base interactions energy: -606.220
where: short stacking energy: -245.086
Base-Backbone interact. energy: 1.307
local terms energy: -296.418726
where:
bonds (distance) C4'-P energy: -61.436
bonds (distance) P-C4' energy: -62.475
flat angles C4'-P-C4' energy: -55.073
flat angles P-C4'-P energy: -38.261
tors. eta vs tors. theta energy: -79.173
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: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -641.139008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.139008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.139008 (E_RNA)
where:
Base-Base interactions energy: -378.466
where: short stacking energy: -165.566
Base-Backbone interact. energy: 4.255
local terms energy: -266.928297
where:
bonds (distance) C4'-P energy: -57.261
bonds (distance) P-C4' energy: -62.267
flat angles C4'-P-C4' energy: -67.321
flat angles P-C4'-P energy: -45.848
tors. eta vs tors. theta energy: -34.231
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: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -588.521971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.521971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.521971 (E_RNA)
where:
Base-Base interactions energy: -331.950
where: short stacking energy: -167.533
Base-Backbone interact. energy: -0.868
local terms energy: -255.704301
where:
bonds (distance) C4'-P energy: -60.435
bonds (distance) P-C4' energy: -50.708
flat angles C4'-P-C4' energy: -46.571
flat angles P-C4'-P energy: -52.572
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: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -516.118252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.118252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.118252 (E_RNA)
where:
Base-Base interactions energy: -267.105
where: short stacking energy: -131.313
Base-Backbone interact. energy: -0.933
local terms energy: -248.080691
where:
bonds (distance) C4'-P energy: -72.733
bonds (distance) P-C4' energy: -59.563
flat angles C4'-P-C4' energy: -52.836
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -309.293483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.293483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.293483 (E_RNA)
where:
Base-Base interactions energy: -102.755
where: short stacking energy: -78.755
Base-Backbone interact. energy: -1.174
local terms energy: -205.364466
where:
bonds (distance) C4'-P energy: -64.125
bonds (distance) P-C4' energy: -55.243
flat angles C4'-P-C4' energy: -54.273
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: 5.296
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: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -287.181031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.181031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.181031 (E_RNA)
where:
Base-Base interactions energy: -84.624
where: short stacking energy: -73.609
Base-Backbone interact. energy: -0.933
local terms energy: -201.624301
where:
bonds (distance) C4'-P energy: -62.696
bonds (distance) P-C4' energy: -59.267
flat angles C4'-P-C4' energy: -40.846
flat angles P-C4'-P energy: -34.284
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -255.880934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.880934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.880934 (E_RNA)
where:
Base-Base interactions energy: -78.583
where: short stacking energy: -69.677
Base-Backbone interact. energy: -0.566
local terms energy: -176.731192
where:
bonds (distance) C4'-P energy: -59.271
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -50.016
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: 14.937
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: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1095.720361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.720361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.720361 (E_RNA)
where:
Base-Base interactions energy: -733.728
where: short stacking energy: -321.434
Base-Backbone interact. energy: -0.341
local terms energy: -361.652143
where:
bonds (distance) C4'-P energy: -66.646
bonds (distance) P-C4' energy: -63.811
flat angles C4'-P-C4' energy: -74.915
flat angles P-C4'-P energy: -53.438
tors. eta vs tors. theta energy: -102.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1074.387658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.387658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.387658 (E_RNA)
where:
Base-Base interactions energy: -723.447
where: short stacking energy: -317.501
Base-Backbone interact. energy: -0.409
local terms energy: -350.530980
where:
bonds (distance) C4'-P energy: -67.917
bonds (distance) P-C4' energy: -59.154
flat angles C4'-P-C4' energy: -78.801
flat angles P-C4'-P energy: -45.089
tors. eta vs tors. theta energy: -99.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1004.293530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.293530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.293530 (E_RNA)
where:
Base-Base interactions energy: -675.669
where: short stacking energy: -287.834
Base-Backbone interact. energy: -1.204
local terms energy: -327.420464
where:
bonds (distance) C4'-P energy: -64.333
bonds (distance) P-C4' energy: -64.334
flat angles C4'-P-C4' energy: -60.540
flat angles P-C4'-P energy: -42.916
tors. eta vs tors. theta energy: -95.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -914.469374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.469374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.469374 (E_RNA)
where:
Base-Base interactions energy: -611.448
where: short stacking energy: -265.829
Base-Backbone interact. energy: -1.299
local terms energy: -301.722422
where:
bonds (distance) C4'-P energy: -57.056
bonds (distance) P-C4' energy: -67.773
flat angles C4'-P-C4' energy: -67.292
flat angles P-C4'-P energy: -34.377
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: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -650.495754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.495754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.495754 (E_RNA)
where:
Base-Base interactions energy: -393.637
where: short stacking energy: -161.405
Base-Backbone interact. energy: 1.305
local terms energy: -258.163263
where:
bonds (distance) C4'-P energy: -61.695
bonds (distance) P-C4' energy: -63.496
flat angles C4'-P-C4' energy: -64.471
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -38.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -630.670719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.670719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.670719 (E_RNA)
where:
Base-Base interactions energy: -361.709
where: short stacking energy: -182.642
Base-Backbone interact. energy: 0.724
local terms energy: -269.685415
where:
bonds (distance) C4'-P energy: -62.512
bonds (distance) P-C4' energy: -70.089
flat angles C4'-P-C4' energy: -62.349
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -40.859
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: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -469.073392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.073392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.073392 (E_RNA)
where:
Base-Base interactions energy: -251.724
where: short stacking energy: -108.793
Base-Backbone interact. energy: -2.432
local terms energy: -214.916633
where:
bonds (distance) C4'-P energy: -58.575
bonds (distance) P-C4' energy: -63.827
flat angles C4'-P-C4' energy: -54.582
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -8.068
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: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -318.203472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.203472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.203472 (E_RNA)
where:
Base-Base interactions energy: -116.105
where: short stacking energy: -83.102
Base-Backbone interact. energy: 1.020
local terms energy: -203.118003
where:
bonds (distance) C4'-P energy: -54.621
bonds (distance) P-C4' energy: -63.871
flat angles C4'-P-C4' energy: -56.819
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: 10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -278.721003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.721003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.721003 (E_RNA)
where:
Base-Base interactions energy: -89.479
where: short stacking energy: -86.045
Base-Backbone interact. energy: 2.283
local terms energy: -191.525334
where:
bonds (distance) C4'-P energy: -42.903
bonds (distance) P-C4' energy: -58.712
flat angles C4'-P-C4' energy: -46.068
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -257.356454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.356454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.356454 (E_RNA)
where:
Base-Base interactions energy: -71.221
where: short stacking energy: -50.422
Base-Backbone interact. energy: -1.315
local terms energy: -184.820061
where:
bonds (distance) C4'-P energy: -64.967
bonds (distance) P-C4' energy: -59.826
flat angles C4'-P-C4' energy: -38.812
flat angles P-C4'-P energy: -32.335
tors. eta vs tors. theta energy: 11.120
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: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1104.982193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.982193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.982193 (E_RNA)
where:
Base-Base interactions energy: -728.129
where: short stacking energy: -327.558
Base-Backbone interact. energy: 0.470
local terms energy: -377.323824
where:
bonds (distance) C4'-P energy: -69.143
bonds (distance) P-C4' energy: -69.328
flat angles C4'-P-C4' energy: -80.844
flat angles P-C4'-P energy: -49.387
tors. eta vs tors. theta energy: -108.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1040.547574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.547574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.547574 (E_RNA)
where:
Base-Base interactions energy: -705.400
where: short stacking energy: -313.603
Base-Backbone interact. energy: 0.101
local terms energy: -335.249214
where:
bonds (distance) C4'-P energy: -64.217
bonds (distance) P-C4' energy: -58.810
flat angles C4'-P-C4' energy: -69.649
flat angles P-C4'-P energy: -45.231
tors. eta vs tors. theta energy: -97.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1010.221988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.221988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.221988 (E_RNA)
where:
Base-Base interactions energy: -702.985
where: short stacking energy: -289.338
Base-Backbone interact. energy: -0.539
local terms energy: -306.698251
where:
bonds (distance) C4'-P energy: -50.993
bonds (distance) P-C4' energy: -63.805
flat angles C4'-P-C4' energy: -60.766
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: -90.277
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: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -927.259500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.259500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.259500 (E_RNA)
where:
Base-Base interactions energy: -613.970
where: short stacking energy: -254.695
Base-Backbone interact. energy: -1.656
local terms energy: -311.633699
where:
bonds (distance) C4'-P energy: -44.311
bonds (distance) P-C4' energy: -65.331
flat angles C4'-P-C4' energy: -74.021
flat angles P-C4'-P energy: -54.412
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: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -677.521391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.521391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.521391 (E_RNA)
where:
Base-Base interactions energy: -420.890
where: short stacking energy: -192.366
Base-Backbone interact. energy: 0.311
local terms energy: -256.942283
where:
bonds (distance) C4'-P energy: -55.658
bonds (distance) P-C4' energy: -59.569
flat angles C4'-P-C4' energy: -57.518
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -39.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -589.269216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.269216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.269216 (E_RNA)
where:
Base-Base interactions energy: -338.222
where: short stacking energy: -162.068
Base-Backbone interact. energy: -0.932
local terms energy: -250.115488
where:
bonds (distance) C4'-P energy: -59.833
bonds (distance) P-C4' energy: -56.053
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -31.486
tors. eta vs tors. theta energy: -36.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -505.439990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.439990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.439990 (E_RNA)
where:
Base-Base interactions energy: -276.988
where: short stacking energy: -145.338
Base-Backbone interact. energy: 0.751
local terms energy: -229.202509
where:
bonds (distance) C4'-P energy: -51.407
bonds (distance) P-C4' energy: -64.451
flat angles C4'-P-C4' energy: -61.339
flat angles P-C4'-P energy: -30.953
tors. eta vs tors. theta energy: -21.052
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: 215
Temperature: 1.250000
Total energy: -293.730978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.730978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.730978 (E_RNA)
where:
Base-Base interactions energy: -106.405
where: short stacking energy: -79.380
Base-Backbone interact. energy: -1.098
local terms energy: -186.227824
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -69.500
flat angles C4'-P-C4' energy: -47.852
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: 13.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -260.686091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.686091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.686091 (E_RNA)
where:
Base-Base interactions energy: -73.684
where: short stacking energy: -63.836
Base-Backbone interact. energy: -2.010
local terms energy: -184.991917
where:
bonds (distance) C4'-P energy: -60.847
bonds (distance) P-C4' energy: -49.821
flat angles C4'-P-C4' energy: -45.974
flat angles P-C4'-P energy: -35.246
tors. eta vs tors. theta energy: 6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -263.783625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.783625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.783625 (E_RNA)
where:
Base-Base interactions energy: -88.507
where: short stacking energy: -61.314
Base-Backbone interact. energy: 0.900
local terms energy: -176.176155
where:
bonds (distance) C4'-P energy: -51.508
bonds (distance) P-C4' energy: -47.235
flat angles C4'-P-C4' energy: -45.151
flat angles P-C4'-P energy: -39.260
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: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1096.238082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.238082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.238082 (E_RNA)
where:
Base-Base interactions energy: -724.129
where: short stacking energy: -326.722
Base-Backbone interact. energy: -0.946
local terms energy: -371.162812
where:
bonds (distance) C4'-P energy: -65.123
bonds (distance) P-C4' energy: -70.299
flat angles C4'-P-C4' energy: -68.292
flat angles P-C4'-P energy: -56.136
tors. eta vs tors. theta energy: -111.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1025.891845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.891845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.891845 (E_RNA)
where:
Base-Base interactions energy: -692.741
where: short stacking energy: -294.265
Base-Backbone interact. energy: -1.105
local terms energy: -332.045595
where:
bonds (distance) C4'-P energy: -63.052
bonds (distance) P-C4' energy: -60.770
flat angles C4'-P-C4' energy: -75.652
flat angles P-C4'-P energy: -38.052
tors. eta vs tors. theta energy: -94.520
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: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -969.758104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.758104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.758104 (E_RNA)
where:
Base-Base interactions energy: -647.950
where: short stacking energy: -285.601
Base-Backbone interact. energy: 0.239
local terms energy: -322.047541
where:
bonds (distance) C4'-P energy: -59.415
bonds (distance) P-C4' energy: -63.385
flat angles C4'-P-C4' energy: -69.963
flat angles P-C4'-P energy: -48.853
tors. eta vs tors. theta energy: -80.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -965.442030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.442030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.442030 (E_RNA)
where:
Base-Base interactions energy: -653.598
where: short stacking energy: -282.949
Base-Backbone interact. energy: -1.300
local terms energy: -310.543635
where:
bonds (distance) C4'-P energy: -47.077
bonds (distance) P-C4' energy: -65.286
flat angles C4'-P-C4' energy: -63.554
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: -91.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -707.462053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.462053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.462053 (E_RNA)
where:
Base-Base interactions energy: -430.862
where: short stacking energy: -189.114
Base-Backbone interact. energy: 3.089
local terms energy: -279.689160
where:
bonds (distance) C4'-P energy: -62.470
bonds (distance) P-C4' energy: -70.758
flat angles C4'-P-C4' energy: -61.570
flat angles P-C4'-P energy: -38.428
tors. eta vs tors. theta energy: -46.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -600.333094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.333094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.333094 (E_RNA)
where:
Base-Base interactions energy: -352.444
where: short stacking energy: -173.433
Base-Backbone interact. energy: -1.824
local terms energy: -246.064511
where:
bonds (distance) C4'-P energy: -51.740
bonds (distance) P-C4' energy: -66.016
flat angles C4'-P-C4' energy: -62.111
flat angles P-C4'-P energy: -32.922
tors. eta vs tors. theta energy: -33.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -492.484733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.484733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.484733 (E_RNA)
where:
Base-Base interactions energy: -240.578
where: short stacking energy: -125.498
Base-Backbone interact. energy: -0.329
local terms energy: -251.577043
where:
bonds (distance) C4'-P energy: -62.546
bonds (distance) P-C4' energy: -66.076
flat angles C4'-P-C4' energy: -50.483
flat angles P-C4'-P energy: -47.683
tors. eta vs tors. theta energy: -24.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -292.162363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.162363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.162363 (E_RNA)
where:
Base-Base interactions energy: -98.355
where: short stacking energy: -69.535
Base-Backbone interact. energy: -1.167
local terms energy: -192.641123
where:
bonds (distance) C4'-P energy: -56.969
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -39.161
flat angles P-C4'-P energy: -33.677
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -289.784045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.784045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.784045 (E_RNA)
where:
Base-Base interactions energy: -105.082
where: short stacking energy: -81.111
Base-Backbone interact. energy: -1.566
local terms energy: -183.136102
where:
bonds (distance) C4'-P energy: -42.471
bonds (distance) P-C4' energy: -60.447
flat angles C4'-P-C4' energy: -51.850
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: 1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -277.437122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.437122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.437122 (E_RNA)
where:
Base-Base interactions energy: -93.211
where: short stacking energy: -84.371
Base-Backbone interact. energy: -1.149
local terms energy: -185.889840
where:
bonds (distance) C4'-P energy: -62.362
bonds (distance) P-C4' energy: -56.581
flat angles C4'-P-C4' energy: -56.007
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.813 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1106.171867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.171867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.171867 (E_RNA)
where:
Base-Base interactions energy: -737.292
where: short stacking energy: -320.274
Base-Backbone interact. energy: -0.286
local terms energy: -368.593265
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -68.923
flat angles C4'-P-C4' energy: -77.308
flat angles P-C4'-P energy: -51.521
tors. eta vs tors. theta energy: -107.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1022.339717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.339717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.339717 (E_RNA)
where:
Base-Base interactions energy: -690.693
where: short stacking energy: -284.768
Base-Backbone interact. energy: 0.344
local terms energy: -332.493612
where:
bonds (distance) C4'-P energy: -60.481
bonds (distance) P-C4' energy: -57.140
flat angles C4'-P-C4' energy: -76.032
flat angles P-C4'-P energy: -46.273
tors. eta vs tors. theta energy: -92.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.502 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -931.248563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.248563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.248563 (E_RNA)
where:
Base-Base interactions energy: -611.423
where: short stacking energy: -255.537
Base-Backbone interact. energy: -0.435
local terms energy: -319.391030
where:
bonds (distance) C4'-P energy: -61.280
bonds (distance) P-C4' energy: -63.176
flat angles C4'-P-C4' energy: -69.765
flat angles P-C4'-P energy: -44.389
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: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -943.976386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.976386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.976386 (E_RNA)
where:
Base-Base interactions energy: -634.151
where: short stacking energy: -258.225
Base-Backbone interact. energy: -1.672
local terms energy: -308.153968
where:
bonds (distance) C4'-P energy: -57.920
bonds (distance) P-C4' energy: -66.182
flat angles C4'-P-C4' energy: -62.573
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -86.902
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: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -634.314082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.314082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.314082 (E_RNA)
where:
Base-Base interactions energy: -376.452
where: short stacking energy: -172.238
Base-Backbone interact. energy: 0.316
local terms energy: -258.178145
where:
bonds (distance) C4'-P energy: -51.932
bonds (distance) P-C4' energy: -66.092
flat angles C4'-P-C4' energy: -57.192
flat angles P-C4'-P energy: -40.317
tors. eta vs tors. theta energy: -42.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -567.980098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.980098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.980098 (E_RNA)
where:
Base-Base interactions energy: -305.637
where: short stacking energy: -145.744
Base-Backbone interact. energy: -1.126
local terms energy: -261.217209
where:
bonds (distance) C4'-P energy: -69.190
bonds (distance) P-C4' energy: -71.613
flat angles C4'-P-C4' energy: -51.387
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: -31.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -489.687885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.687885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.687885 (E_RNA)
where:
Base-Base interactions energy: -282.158
where: short stacking energy: -129.677
Base-Backbone interact. energy: -2.276
local terms energy: -205.253539
where:
bonds (distance) C4'-P energy: -57.479
bonds (distance) P-C4' energy: -59.394
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -41.304
tors. eta vs tors. theta energy: -12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -305.523660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.523660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.523660 (E_RNA)
where:
Base-Base interactions energy: -129.351
where: short stacking energy: -87.102
Base-Backbone interact. energy: -2.017
local terms energy: -174.155543
where:
bonds (distance) C4'-P energy: -55.826
bonds (distance) P-C4' energy: -57.669
flat angles C4'-P-C4' energy: -47.699
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: 6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -284.745301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.745301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.745301 (E_RNA)
where:
Base-Base interactions energy: -75.472
where: short stacking energy: -69.806
Base-Backbone interact. energy: -1.297
local terms energy: -207.975593
where:
bonds (distance) C4'-P energy: -59.506
bonds (distance) P-C4' energy: -67.021
flat angles C4'-P-C4' energy: -59.981
flat angles P-C4'-P energy: -30.621
tors. eta vs tors. theta energy: 9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -239.662805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.662805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.662805 (E_RNA)
where:
Base-Base interactions energy: -72.403
where: short stacking energy: -52.995
Base-Backbone interact. energy: -1.143
local terms energy: -166.116480
where:
bonds (distance) C4'-P energy: -50.538
bonds (distance) P-C4' energy: -65.645
flat angles C4'-P-C4' energy: -39.928
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: 21.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1092.975350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.975350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.975350 (E_RNA)
where:
Base-Base interactions energy: -726.333
where: short stacking energy: -324.638
Base-Backbone interact. energy: -0.458
local terms energy: -366.184753
where:
bonds (distance) C4'-P energy: -67.430
bonds (distance) P-C4' energy: -71.851
flat angles C4'-P-C4' energy: -73.234
flat angles P-C4'-P energy: -47.690
tors. eta vs tors. theta energy: -105.979
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: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1033.755410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.755410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.755410 (E_RNA)
where:
Base-Base interactions energy: -689.769
where: short stacking energy: -296.872
Base-Backbone interact. energy: 1.150
local terms energy: -345.135584
where:
bonds (distance) C4'-P energy: -64.037
bonds (distance) P-C4' energy: -78.125
flat angles C4'-P-C4' energy: -68.067
flat angles P-C4'-P energy: -37.427
tors. eta vs tors. theta energy: -97.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1030.406758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.406758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.406758 (E_RNA)
where:
Base-Base interactions energy: -679.125
where: short stacking energy: -272.157
Base-Backbone interact. energy: -0.669
local terms energy: -350.612585
where:
bonds (distance) C4'-P energy: -66.914
bonds (distance) P-C4' energy: -70.334
flat angles C4'-P-C4' energy: -72.475
flat angles P-C4'-P energy: -46.743
tors. eta vs tors. theta energy: -94.147
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: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -917.762629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.762629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.762629 (E_RNA)
where:
Base-Base interactions energy: -611.152
where: short stacking energy: -259.040
Base-Backbone interact. energy: -0.450
local terms energy: -306.160392
where:
bonds (distance) C4'-P energy: -71.952
bonds (distance) P-C4' energy: -61.546
flat angles C4'-P-C4' energy: -61.232
flat angles P-C4'-P energy: -37.120
tors. eta vs tors. theta energy: -74.311
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: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -623.289099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.289099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.289099 (E_RNA)
where:
Base-Base interactions energy: -369.766
where: short stacking energy: -156.431
Base-Backbone interact. energy: -0.569
local terms energy: -252.954171
where:
bonds (distance) C4'-P energy: -57.815
bonds (distance) P-C4' energy: -59.858
flat angles C4'-P-C4' energy: -56.223
flat angles P-C4'-P energy: -47.386
tors. eta vs tors. theta energy: -31.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -620.058878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.058878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.058878 (E_RNA)
where:
Base-Base interactions energy: -355.135
where: short stacking energy: -163.276
Base-Backbone interact. energy: -0.611
local terms energy: -264.312881
where:
bonds (distance) C4'-P energy: -62.345
bonds (distance) P-C4' energy: -59.711
flat angles C4'-P-C4' energy: -67.277
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -34.859
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: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -493.296322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.296322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.296322 (E_RNA)
where:
Base-Base interactions energy: -274.964
where: short stacking energy: -119.331
Base-Backbone interact. energy: -3.015
local terms energy: -215.317230
where:
bonds (distance) C4'-P energy: -60.786
bonds (distance) P-C4' energy: -58.604
flat angles C4'-P-C4' energy: -58.072
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -337.215541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.215541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.215541 (E_RNA)
where:
Base-Base interactions energy: -126.872
where: short stacking energy: -69.340
Base-Backbone interact. energy: -1.856
local terms energy: -208.487321
where:
bonds (distance) C4'-P energy: -63.784
bonds (distance) P-C4' energy: -57.466
flat angles C4'-P-C4' energy: -47.486
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -0.030
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: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -281.710298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.710298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.710298 (E_RNA)
where:
Base-Base interactions energy: -93.964
where: short stacking energy: -85.742
Base-Backbone interact. energy: 3.970
local terms energy: -191.716558
where:
bonds (distance) C4'-P energy: -47.283
bonds (distance) P-C4' energy: -55.019
flat angles C4'-P-C4' energy: -53.474
flat angles P-C4'-P energy: -32.542
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -249.520158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.520158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.520158 (E_RNA)
where:
Base-Base interactions energy: -71.278
where: short stacking energy: -51.636
Base-Backbone interact. energy: -0.747
local terms energy: -177.495057
where:
bonds (distance) C4'-P energy: -53.195
bonds (distance) P-C4' energy: -57.091
flat angles C4'-P-C4' energy: -54.027
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: 17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1087.917642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.917642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.917642 (E_RNA)
where:
Base-Base interactions energy: -723.301
where: short stacking energy: -336.219
Base-Backbone interact. energy: -0.019
local terms energy: -364.597593
where:
bonds (distance) C4'-P energy: -71.014
bonds (distance) P-C4' energy: -60.587
flat angles C4'-P-C4' energy: -71.333
flat angles P-C4'-P energy: -49.092
tors. eta vs tors. theta energy: -112.571
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: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1019.564553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.564553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.564553 (E_RNA)
where:
Base-Base interactions energy: -679.621
where: short stacking energy: -276.833
Base-Backbone interact. energy: -0.842
local terms energy: -340.513349
where:
bonds (distance) C4'-P energy: -65.134
bonds (distance) P-C4' energy: -65.760
flat angles C4'-P-C4' energy: -68.750
flat angles P-C4'-P energy: -46.328
tors. eta vs tors. theta energy: -94.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.412 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1047.865457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.865457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.865457 (E_RNA)
where:
Base-Base interactions energy: -713.884
where: short stacking energy: -281.232
Base-Backbone interact. energy: -2.178
local terms energy: -331.803243
where:
bonds (distance) C4'-P energy: -57.165
bonds (distance) P-C4' energy: -57.770
flat angles C4'-P-C4' energy: -75.664
flat angles P-C4'-P energy: -47.816
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: 219
Temperature: 1.050000
Total energy: -879.612453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.612453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.612453 (E_RNA)
where:
Base-Base interactions energy: -570.306
where: short stacking energy: -238.010
Base-Backbone interact. energy: 0.364
local terms energy: -309.671060
where:
bonds (distance) C4'-P energy: -66.313
bonds (distance) P-C4' energy: -61.751
flat angles C4'-P-C4' energy: -68.698
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -72.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -665.894504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.894504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.894504 (E_RNA)
where:
Base-Base interactions energy: -382.978
where: short stacking energy: -187.813
Base-Backbone interact. energy: 0.633
local terms energy: -283.549368
where:
bonds (distance) C4'-P energy: -70.520
bonds (distance) P-C4' energy: -64.629
flat angles C4'-P-C4' energy: -61.409
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -41.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -567.567864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.567864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.567864 (E_RNA)
where:
Base-Base interactions energy: -317.615
where: short stacking energy: -152.254
Base-Backbone interact. energy: -0.118
local terms energy: -249.834537
where:
bonds (distance) C4'-P energy: -53.190
bonds (distance) P-C4' energy: -63.105
flat angles C4'-P-C4' energy: -66.797
flat angles P-C4'-P energy: -34.640
tors. eta vs tors. theta energy: -32.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -538.597796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.597796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.597796 (E_RNA)
where:
Base-Base interactions energy: -287.372
where: short stacking energy: -155.372
Base-Backbone interact. energy: -1.753
local terms energy: -249.488666
where:
bonds (distance) C4'-P energy: -63.160
bonds (distance) P-C4' energy: -64.840
flat angles C4'-P-C4' energy: -53.055
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: -43.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.016 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -321.245801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.245801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.245801 (E_RNA)
where:
Base-Base interactions energy: -135.491
where: short stacking energy: -104.505
Base-Backbone interact. energy: -0.482
local terms energy: -185.272925
where:
bonds (distance) C4'-P energy: -49.348
bonds (distance) P-C4' energy: -46.797
flat angles C4'-P-C4' energy: -60.109
flat angles P-C4'-P energy: -31.914
tors. eta vs tors. theta energy: 2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -328.383179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.383179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.383179 (E_RNA)
where:
Base-Base interactions energy: -123.769
where: short stacking energy: -86.996
Base-Backbone interact. energy: -0.802
local terms energy: -203.812176
where:
bonds (distance) C4'-P energy: -58.205
bonds (distance) P-C4' energy: -63.411
flat angles C4'-P-C4' energy: -39.632
flat angles P-C4'-P energy: -40.861
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -260.124715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.124715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.124715 (E_RNA)
where:
Base-Base interactions energy: -88.832
where: short stacking energy: -65.585
Base-Backbone interact. energy: -0.952
local terms energy: -170.340112
where:
bonds (distance) C4'-P energy: -63.241
bonds (distance) P-C4' energy: -55.608
flat angles C4'-P-C4' energy: -40.105
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: 8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1046.507686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.507686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.507686 (E_RNA)
where:
Base-Base interactions energy: -676.511
where: short stacking energy: -272.182
Base-Backbone interact. energy: -1.254
local terms energy: -368.743144
where:
bonds (distance) C4'-P energy: -68.758
bonds (distance) P-C4' energy: -72.339
flat angles C4'-P-C4' energy: -80.889
flat angles P-C4'-P energy: -51.609
tors. eta vs tors. theta energy: -95.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1075.692605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.692605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.692605 (E_RNA)
where:
Base-Base interactions energy: -731.835
where: short stacking energy: -323.157
Base-Backbone interact. energy: 0.779
local terms energy: -344.637369
where:
bonds (distance) C4'-P energy: -60.344
bonds (distance) P-C4' energy: -53.481
flat angles C4'-P-C4' energy: -78.675
flat angles P-C4'-P energy: -51.240
tors. eta vs tors. theta energy: -100.897
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: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1058.972616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.972616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.972616 (E_RNA)
where:
Base-Base interactions energy: -721.471
where: short stacking energy: -271.958
Base-Backbone interact. energy: -3.520
local terms energy: -333.982046
where:
bonds (distance) C4'-P energy: -58.727
bonds (distance) P-C4' energy: -74.553
flat angles C4'-P-C4' energy: -68.431
flat angles P-C4'-P energy: -41.854
tors. eta vs tors. theta energy: -90.417
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: 220
Temperature: 1.050000
Total energy: -906.361748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.361748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.361748 (E_RNA)
where:
Base-Base interactions energy: -585.708
where: short stacking energy: -238.275
Base-Backbone interact. energy: -1.260
local terms energy: -319.393774
where:
bonds (distance) C4'-P energy: -67.069
bonds (distance) P-C4' energy: -68.024
flat angles C4'-P-C4' energy: -69.971
flat angles P-C4'-P energy: -46.884
tors. eta vs tors. theta energy: -67.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -646.123328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.123328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.123328 (E_RNA)
where:
Base-Base interactions energy: -365.581
where: short stacking energy: -169.290
Base-Backbone interact. energy: -0.793
local terms energy: -279.748838
where:
bonds (distance) C4'-P energy: -61.099
bonds (distance) P-C4' energy: -72.064
flat angles C4'-P-C4' energy: -70.199
flat angles P-C4'-P energy: -34.931
tors. eta vs tors. theta energy: -41.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -549.113430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.113430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.113430 (E_RNA)
where:
Base-Base interactions energy: -297.468
where: short stacking energy: -142.872
Base-Backbone interact. energy: -0.284
local terms energy: -251.360739
where:
bonds (distance) C4'-P energy: -52.722
bonds (distance) P-C4' energy: -67.184
flat angles C4'-P-C4' energy: -59.752
flat angles P-C4'-P energy: -42.222
tors. eta vs tors. theta energy: -29.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -508.474588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.474588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.474588 (E_RNA)
where:
Base-Base interactions energy: -256.590
where: short stacking energy: -129.617
Base-Backbone interact. energy: 0.435
local terms energy: -252.320293
where:
bonds (distance) C4'-P energy: -63.140
bonds (distance) P-C4' energy: -68.067
flat angles C4'-P-C4' energy: -59.569
flat angles P-C4'-P energy: -34.941
tors. eta vs tors. theta energy: -26.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -323.516323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.516323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.516323 (E_RNA)
where:
Base-Base interactions energy: -156.935
where: short stacking energy: -99.365
Base-Backbone interact. energy: -0.178
local terms energy: -166.403802
where:
bonds (distance) C4'-P energy: -42.281
bonds (distance) P-C4' energy: -55.667
flat angles C4'-P-C4' energy: -40.296
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -2.117
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: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -279.194409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.194409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.194409 (E_RNA)
where:
Base-Base interactions energy: -104.471
where: short stacking energy: -78.232
Base-Backbone interact. energy: -1.660
local terms energy: -173.063008
where:
bonds (distance) C4'-P energy: -62.231
bonds (distance) P-C4' energy: -42.662
flat angles C4'-P-C4' energy: -47.794
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: 3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -256.533019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.533019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.533019 (E_RNA)
where:
Base-Base interactions energy: -90.676
where: short stacking energy: -55.783
Base-Backbone interact. energy: -1.979
local terms energy: -163.877441
where:
bonds (distance) C4'-P energy: -53.297
bonds (distance) P-C4' energy: -62.492
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: 12.395
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: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1059.459780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.459780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.459780 (E_RNA)
where:
Base-Base interactions energy: -712.030
where: short stacking energy: -290.608
Base-Backbone interact. energy: -1.896
local terms energy: -345.534397
where:
bonds (distance) C4'-P energy: -70.062
bonds (distance) P-C4' energy: -67.755
flat angles C4'-P-C4' energy: -74.874
flat angles P-C4'-P energy: -40.212
tors. eta vs tors. theta energy: -92.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1097.976862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.976862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.976862 (E_RNA)
where:
Base-Base interactions energy: -735.334
where: short stacking energy: -284.138
Base-Backbone interact. energy: 0.884
local terms energy: -363.526207
where:
bonds (distance) C4'-P energy: -67.068
bonds (distance) P-C4' energy: -72.988
flat angles C4'-P-C4' energy: -72.368
flat angles P-C4'-P energy: -49.558
tors. eta vs tors. theta energy: -101.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1050.158108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.158108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.158108 (E_RNA)
where:
Base-Base interactions energy: -693.493
where: short stacking energy: -310.561
Base-Backbone interact. energy: 0.007
local terms energy: -356.672243
where:
bonds (distance) C4'-P energy: -68.745
bonds (distance) P-C4' energy: -70.026
flat angles C4'-P-C4' energy: -66.153
flat angles P-C4'-P energy: -52.322
tors. eta vs tors. theta energy: -99.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -920.956903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.956903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.956903 (E_RNA)
where:
Base-Base interactions energy: -601.991
where: short stacking energy: -292.756
Base-Backbone interact. energy: -0.050
local terms energy: -318.916023
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -62.105
flat angles C4'-P-C4' energy: -71.711
flat angles P-C4'-P energy: -52.447
tors. eta vs tors. theta energy: -78.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -682.162671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.162671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.162671 (E_RNA)
where:
Base-Base interactions energy: -399.492
where: short stacking energy: -190.508
Base-Backbone interact. energy: 2.116
local terms energy: -284.786731
where:
bonds (distance) C4'-P energy: -60.103
bonds (distance) P-C4' energy: -59.922
flat angles C4'-P-C4' energy: -70.603
flat angles P-C4'-P energy: -45.798
tors. eta vs tors. theta energy: -48.362
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: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -574.049850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.049850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.049850 (E_RNA)
where:
Base-Base interactions energy: -306.699
where: short stacking energy: -159.679
Base-Backbone interact. energy: -1.925
local terms energy: -265.425987
where:
bonds (distance) C4'-P energy: -55.848
bonds (distance) P-C4' energy: -66.100
flat angles C4'-P-C4' energy: -62.346
flat angles P-C4'-P energy: -35.100
tors. eta vs tors. theta energy: -46.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -506.647769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.647769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.647769 (E_RNA)
where:
Base-Base interactions energy: -270.330
where: short stacking energy: -133.225
Base-Backbone interact. energy: -1.218
local terms energy: -235.099554
where:
bonds (distance) C4'-P energy: -58.650
bonds (distance) P-C4' energy: -58.832
flat angles C4'-P-C4' energy: -51.189
flat angles P-C4'-P energy: -29.992
tors. eta vs tors. theta energy: -36.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -342.999849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.999849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.999849 (E_RNA)
where:
Base-Base interactions energy: -160.172
where: short stacking energy: -91.105
Base-Backbone interact. energy: -0.142
local terms energy: -182.686702
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -51.539
flat angles C4'-P-C4' energy: -47.126
flat angles P-C4'-P energy: -33.080
tors. eta vs tors. theta energy: 10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -286.898784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.898784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.898784 (E_RNA)
where:
Base-Base interactions energy: -112.515
where: short stacking energy: -74.795
Base-Backbone interact. energy: -1.007
local terms energy: -173.376619
where:
bonds (distance) C4'-P energy: -54.283
bonds (distance) P-C4' energy: -61.516
flat angles C4'-P-C4' energy: -44.623
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: 7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -353.369451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.369451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.369451 (E_RNA)
where:
Base-Base interactions energy: -153.134
where: short stacking energy: -85.673
Base-Backbone interact. energy: 1.409
local terms energy: -201.643852
where:
bonds (distance) C4'-P energy: -50.242
bonds (distance) P-C4' energy: -63.208
flat angles C4'-P-C4' energy: -56.347
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: -0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1051.452061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.452061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.452061 (E_RNA)
where:
Base-Base interactions energy: -711.049
where: short stacking energy: -291.653
Base-Backbone interact. energy: 0.466
local terms energy: -340.869051
where:
bonds (distance) C4'-P energy: -48.724
bonds (distance) P-C4' energy: -67.335
flat angles C4'-P-C4' energy: -76.547
flat angles P-C4'-P energy: -52.604
tors. eta vs tors. theta energy: -95.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1090.610515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.610515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.610515 (E_RNA)
where:
Base-Base interactions energy: -748.665
where: short stacking energy: -297.126
Base-Backbone interact. energy: -2.035
local terms energy: -339.910135
where:
bonds (distance) C4'-P energy: -68.374
bonds (distance) P-C4' energy: -60.168
flat angles C4'-P-C4' energy: -74.223
flat angles P-C4'-P energy: -39.781
tors. eta vs tors. theta energy: -97.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1019.523708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.523708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.523708 (E_RNA)
where:
Base-Base interactions energy: -680.124
where: short stacking energy: -297.948
Base-Backbone interact. energy: -0.200
local terms energy: -339.199072
where:
bonds (distance) C4'-P energy: -64.058
bonds (distance) P-C4' energy: -57.040
flat angles C4'-P-C4' energy: -73.699
flat angles P-C4'-P energy: -38.612
tors. eta vs tors. theta energy: -105.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -901.348608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.348608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.348608 (E_RNA)
where:
Base-Base interactions energy: -581.778
where: short stacking energy: -246.600
Base-Backbone interact. energy: 0.988
local terms energy: -320.558524
where:
bonds (distance) C4'-P energy: -68.734
bonds (distance) P-C4' energy: -60.667
flat angles C4'-P-C4' energy: -72.020
flat angles P-C4'-P energy: -47.190
tors. eta vs tors. theta energy: -71.948
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: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -622.838868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.838868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.838868 (E_RNA)
where:
Base-Base interactions energy: -376.745
where: short stacking energy: -173.853
Base-Backbone interact. energy: -1.800
local terms energy: -244.294441
where:
bonds (distance) C4'-P energy: -57.992
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -50.379
flat angles P-C4'-P energy: -33.345
tors. eta vs tors. theta energy: -47.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -559.756095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.756095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.756095 (E_RNA)
where:
Base-Base interactions energy: -298.021
where: short stacking energy: -165.927
Base-Backbone interact. energy: 1.178
local terms energy: -262.913314
where:
bonds (distance) C4'-P energy: -59.110
bonds (distance) P-C4' energy: -48.844
flat angles C4'-P-C4' energy: -60.160
flat angles P-C4'-P energy: -46.294
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: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -512.421310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.421310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.421310 (E_RNA)
where:
Base-Base interactions energy: -282.065
where: short stacking energy: -144.246
Base-Backbone interact. energy: 0.608
local terms energy: -230.964219
where:
bonds (distance) C4'-P energy: -57.763
bonds (distance) P-C4' energy: -56.789
flat angles C4'-P-C4' energy: -58.108
flat angles P-C4'-P energy: -36.350
tors. eta vs tors. theta energy: -21.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -314.962092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.962092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.962092 (E_RNA)
where:
Base-Base interactions energy: -141.412
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.027
local terms energy: -173.522670
where:
bonds (distance) C4'-P energy: -57.519
bonds (distance) P-C4' energy: -67.544
flat angles C4'-P-C4' energy: -54.482
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: 26.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -288.965360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.965360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.965360 (E_RNA)
where:
Base-Base interactions energy: -109.464
where: short stacking energy: -65.943
Base-Backbone interact. energy: 1.035
local terms energy: -180.536714
where:
bonds (distance) C4'-P energy: -65.386
bonds (distance) P-C4' energy: -51.658
flat angles C4'-P-C4' energy: -48.640
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: 10.950
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: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -266.642173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.642173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.642173 (E_RNA)
where:
Base-Base interactions energy: -74.304
where: short stacking energy: -53.936
Base-Backbone interact. energy: 0.357
local terms energy: -192.695292
where:
bonds (distance) C4'-P energy: -61.803
bonds (distance) P-C4' energy: -66.028
flat angles C4'-P-C4' energy: -38.671
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: 10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1042.408566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.408566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.408566 (E_RNA)
where:
Base-Base interactions energy: -714.805
where: short stacking energy: -286.970
Base-Backbone interact. energy: 2.797
local terms energy: -330.400023
where:
bonds (distance) C4'-P energy: -59.523
bonds (distance) P-C4' energy: -68.226
flat angles C4'-P-C4' energy: -65.022
flat angles P-C4'-P energy: -48.468
tors. eta vs tors. theta energy: -89.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1088.826439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.826439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.826439 (E_RNA)
where:
Base-Base interactions energy: -734.534
where: short stacking energy: -294.710
Base-Backbone interact. energy: -2.891
local terms energy: -351.401865
where:
bonds (distance) C4'-P energy: -70.265
bonds (distance) P-C4' energy: -61.079
flat angles C4'-P-C4' energy: -73.480
flat angles P-C4'-P energy: -47.040
tors. eta vs tors. theta energy: -99.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1004.016717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.016717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.016717 (E_RNA)
where:
Base-Base interactions energy: -660.723
where: short stacking energy: -299.482
Base-Backbone interact. energy: 0.460
local terms energy: -343.754586
where:
bonds (distance) C4'-P energy: -61.381
bonds (distance) P-C4' energy: -69.034
flat angles C4'-P-C4' energy: -72.289
flat angles P-C4'-P energy: -47.377
tors. eta vs tors. theta energy: -93.674
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: 223
Temperature: 1.050000
Total energy: -887.053408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.053408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.053408 (E_RNA)
where:
Base-Base interactions energy: -569.676
where: short stacking energy: -250.046
Base-Backbone interact. energy: -0.563
local terms energy: -316.814778
where:
bonds (distance) C4'-P energy: -62.431
bonds (distance) P-C4' energy: -68.035
flat angles C4'-P-C4' energy: -58.847
flat angles P-C4'-P energy: -53.325
tors. eta vs tors. theta energy: -74.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -631.231226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.231226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.231226 (E_RNA)
where:
Base-Base interactions energy: -382.333
where: short stacking energy: -183.521
Base-Backbone interact. energy: -2.767
local terms energy: -246.131830
where:
bonds (distance) C4'-P energy: -63.252
bonds (distance) P-C4' energy: -57.597
flat angles C4'-P-C4' energy: -51.160
flat angles P-C4'-P energy: -28.586
tors. eta vs tors. theta energy: -45.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -562.367652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.367652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.367652 (E_RNA)
where:
Base-Base interactions energy: -336.381
where: short stacking energy: -139.986
Base-Backbone interact. energy: -1.370
local terms energy: -224.616225
where:
bonds (distance) C4'-P energy: -38.939
bonds (distance) P-C4' energy: -56.214
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -36.430
tors. eta vs tors. theta energy: -33.341
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: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -482.223804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.223804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.223804 (E_RNA)
where:
Base-Base interactions energy: -270.424
where: short stacking energy: -121.149
Base-Backbone interact. energy: -0.074
local terms energy: -211.725701
where:
bonds (distance) C4'-P energy: -58.509
bonds (distance) P-C4' energy: -57.381
flat angles C4'-P-C4' energy: -42.756
flat angles P-C4'-P energy: -26.118
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: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -305.766420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.766420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.766420 (E_RNA)
where:
Base-Base interactions energy: -104.655
where: short stacking energy: -79.938
Base-Backbone interact. energy: 2.561
local terms energy: -203.672083
where:
bonds (distance) C4'-P energy: -58.694
bonds (distance) P-C4' energy: -60.357
flat angles C4'-P-C4' energy: -55.309
flat angles P-C4'-P energy: -28.503
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -280.711797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.711797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.711797 (E_RNA)
where:
Base-Base interactions energy: -107.456
where: short stacking energy: -61.466
Base-Backbone interact. energy: 1.117
local terms energy: -174.372546
where:
bonds (distance) C4'-P energy: -55.881
bonds (distance) P-C4' energy: -65.444
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: 8.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -246.652894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.652894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.652894 (E_RNA)
where:
Base-Base interactions energy: -63.946
where: short stacking energy: -52.162
Base-Backbone interact. energy: 0.068
local terms energy: -182.774755
where:
bonds (distance) C4'-P energy: -60.385
bonds (distance) P-C4' energy: -56.242
flat angles C4'-P-C4' energy: -49.380
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: 16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1106.081811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.081811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.081811 (E_RNA)
where:
Base-Base interactions energy: -760.797
where: short stacking energy: -310.638
Base-Backbone interact. energy: -1.570
local terms energy: -343.714218
where:
bonds (distance) C4'-P energy: -62.085
bonds (distance) P-C4' energy: -61.065
flat angles C4'-P-C4' energy: -65.881
flat angles P-C4'-P energy: -51.348
tors. eta vs tors. theta energy: -103.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1012.223063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.223063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.223063 (E_RNA)
where:
Base-Base interactions energy: -675.299
where: short stacking energy: -260.884
Base-Backbone interact. energy: 0.350
local terms energy: -337.274934
where:
bonds (distance) C4'-P energy: -54.149
bonds (distance) P-C4' energy: -72.729
flat angles C4'-P-C4' energy: -76.757
flat angles P-C4'-P energy: -51.792
tors. eta vs tors. theta energy: -81.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1003.553050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.553050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.553050 (E_RNA)
where:
Base-Base interactions energy: -657.778
where: short stacking energy: -290.017
Base-Backbone interact. energy: -0.362
local terms energy: -345.412897
where:
bonds (distance) C4'-P energy: -66.855
bonds (distance) P-C4' energy: -62.741
flat angles C4'-P-C4' energy: -74.183
flat angles P-C4'-P energy: -43.350
tors. eta vs tors. theta energy: -98.284
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: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -894.898245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.898245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.898245 (E_RNA)
where:
Base-Base interactions energy: -582.174
where: short stacking energy: -246.489
Base-Backbone interact. energy: -2.639
local terms energy: -310.085727
where:
bonds (distance) C4'-P energy: -72.690
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -53.978
flat angles P-C4'-P energy: -47.276
tors. eta vs tors. theta energy: -72.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -666.608467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.608467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.608467 (E_RNA)
where:
Base-Base interactions energy: -379.692
where: short stacking energy: -184.924
Base-Backbone interact. energy: -1.276
local terms energy: -285.639749
where:
bonds (distance) C4'-P energy: -56.898
bonds (distance) P-C4' energy: -75.554
flat angles C4'-P-C4' energy: -74.980
flat angles P-C4'-P energy: -32.455
tors. eta vs tors. theta energy: -45.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -540.431649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.431649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.431649 (E_RNA)
where:
Base-Base interactions energy: -322.584
where: short stacking energy: -154.169
Base-Backbone interact. energy: -1.421
local terms energy: -216.426392
where:
bonds (distance) C4'-P energy: -43.696
bonds (distance) P-C4' energy: -60.273
flat angles C4'-P-C4' energy: -55.072
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: -19.404
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: 224
Temperature: 1.200000
Total energy: -488.479980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.479980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.479980 (E_RNA)
where:
Base-Base interactions energy: -257.257
where: short stacking energy: -119.311
Base-Backbone interact. energy: -0.212
local terms energy: -231.010245
where:
bonds (distance) C4'-P energy: -60.046
bonds (distance) P-C4' energy: -62.853
flat angles C4'-P-C4' energy: -54.850
flat angles P-C4'-P energy: -36.670
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -306.114233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.114233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.114233 (E_RNA)
where:
Base-Base interactions energy: -98.805
where: short stacking energy: -88.304
Base-Backbone interact. energy: -0.943
local terms energy: -206.366423
where:
bonds (distance) C4'-P energy: -51.243
bonds (distance) P-C4' energy: -62.759
flat angles C4'-P-C4' energy: -49.492
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -308.134212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.134212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.134212 (E_RNA)
where:
Base-Base interactions energy: -118.284
where: short stacking energy: -72.080
Base-Backbone interact. energy: 1.907
local terms energy: -192.118736
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -66.467
flat angles C4'-P-C4' energy: -61.628
flat angles P-C4'-P energy: -29.525
tors. eta vs tors. theta energy: 9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.362 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -254.054153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.054153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.054153 (E_RNA)
where:
Base-Base interactions energy: -92.088
where: short stacking energy: -56.096
Base-Backbone interact. energy: -1.871
local terms energy: -160.095118
where:
bonds (distance) C4'-P energy: -49.947
bonds (distance) P-C4' energy: -53.145
flat angles C4'-P-C4' energy: -38.750
flat angles P-C4'-P energy: -28.708
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: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1089.576007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.576007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.576007 (E_RNA)
where:
Base-Base interactions energy: -736.531
where: short stacking energy: -290.944
Base-Backbone interact. energy: 0.354
local terms energy: -353.399442
where:
bonds (distance) C4'-P energy: -61.880
bonds (distance) P-C4' energy: -68.579
flat angles C4'-P-C4' energy: -73.354
flat angles P-C4'-P energy: -54.666
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: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1063.626041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.626041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.626041 (E_RNA)
where:
Base-Base interactions energy: -708.860
where: short stacking energy: -307.358
Base-Backbone interact. energy: -1.320
local terms energy: -353.445899
where:
bonds (distance) C4'-P energy: -65.712
bonds (distance) P-C4' energy: -69.122
flat angles C4'-P-C4' energy: -68.372
flat angles P-C4'-P energy: -53.737
tors. eta vs tors. theta energy: -96.503
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: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -998.888724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.888724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.888724 (E_RNA)
where:
Base-Base interactions energy: -640.514
where: short stacking energy: -303.562
Base-Backbone interact. energy: -0.343
local terms energy: -358.032403
where:
bonds (distance) C4'-P energy: -67.614
bonds (distance) P-C4' energy: -69.202
flat angles C4'-P-C4' energy: -70.686
flat angles P-C4'-P energy: -48.743
tors. eta vs tors. theta energy: -101.787
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: 225
Temperature: 1.050000
Total energy: -862.069102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.069102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.069102 (E_RNA)
where:
Base-Base interactions energy: -573.519
where: short stacking energy: -247.055
Base-Backbone interact. energy: 5.255
local terms energy: -293.805325
where:
bonds (distance) C4'-P energy: -74.233
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -63.285
flat angles P-C4'-P energy: -41.774
tors. eta vs tors. theta energy: -68.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -615.646706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.646706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.646706 (E_RNA)
where:
Base-Base interactions energy: -364.220
where: short stacking energy: -168.116
Base-Backbone interact. energy: 2.461
local terms energy: -253.887446
where:
bonds (distance) C4'-P energy: -51.252
bonds (distance) P-C4' energy: -64.000
flat angles C4'-P-C4' energy: -68.418
flat angles P-C4'-P energy: -35.551
tors. eta vs tors. theta energy: -34.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -534.267355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.267355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.267355 (E_RNA)
where:
Base-Base interactions energy: -317.771
where: short stacking energy: -155.020
Base-Backbone interact. energy: -3.432
local terms energy: -213.064629
where:
bonds (distance) C4'-P energy: -57.081
bonds (distance) P-C4' energy: -49.125
flat angles C4'-P-C4' energy: -48.624
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -29.882
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: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -472.566785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.566785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.566785 (E_RNA)
where:
Base-Base interactions energy: -251.751
where: short stacking energy: -114.964
Base-Backbone interact. energy: -2.119
local terms energy: -219.906379
where:
bonds (distance) C4'-P energy: -55.374
bonds (distance) P-C4' energy: -58.902
flat angles C4'-P-C4' energy: -59.671
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.210 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -294.166301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.166301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.166301 (E_RNA)
where:
Base-Base interactions energy: -96.150
where: short stacking energy: -72.182
Base-Backbone interact. energy: -0.743
local terms energy: -197.273282
where:
bonds (distance) C4'-P energy: -65.366
bonds (distance) P-C4' energy: -54.620
flat angles C4'-P-C4' energy: -46.835
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: 10.095
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: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -308.090324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.090324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.090324 (E_RNA)
where:
Base-Base interactions energy: -116.611
where: short stacking energy: -74.351
Base-Backbone interact. energy: -2.880
local terms energy: -188.599096
where:
bonds (distance) C4'-P energy: -63.378
bonds (distance) P-C4' energy: -61.031
flat angles C4'-P-C4' energy: -40.523
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: 12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -251.589752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.589752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.589752 (E_RNA)
where:
Base-Base interactions energy: -52.938
where: short stacking energy: -42.926
Base-Backbone interact. energy: -1.544
local terms energy: -197.107872
where:
bonds (distance) C4'-P energy: -67.233
bonds (distance) P-C4' energy: -60.799
flat angles C4'-P-C4' energy: -49.346
flat angles P-C4'-P energy: -45.133
tors. eta vs tors. theta energy: 25.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1105.366584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.366584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.366584 (E_RNA)
where:
Base-Base interactions energy: -751.773
where: short stacking energy: -295.936
Base-Backbone interact. energy: -0.567
local terms energy: -353.026950
where:
bonds (distance) C4'-P energy: -71.961
bonds (distance) P-C4' energy: -65.056
flat angles C4'-P-C4' energy: -64.774
flat angles P-C4'-P energy: -56.464
tors. eta vs tors. theta energy: -94.773
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: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1058.703900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.703900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.703900 (E_RNA)
where:
Base-Base interactions energy: -708.868
where: short stacking energy: -306.782
Base-Backbone interact. energy: 0.519
local terms energy: -350.354224
where:
bonds (distance) C4'-P energy: -62.113
bonds (distance) P-C4' energy: -62.690
flat angles C4'-P-C4' energy: -77.967
flat angles P-C4'-P energy: -47.300
tors. eta vs tors. theta energy: -100.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1039.053553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.053553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.053553 (E_RNA)
where:
Base-Base interactions energy: -681.766
where: short stacking energy: -292.861
Base-Backbone interact. energy: -0.473
local terms energy: -356.813771
where:
bonds (distance) C4'-P energy: -64.998
bonds (distance) P-C4' energy: -77.658
flat angles C4'-P-C4' energy: -68.495
flat angles P-C4'-P energy: -46.509
tors. eta vs tors. theta energy: -99.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -905.099409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.099409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.099409 (E_RNA)
where:
Base-Base interactions energy: -582.491
where: short stacking energy: -245.264
Base-Backbone interact. energy: -2.304
local terms energy: -320.305032
where:
bonds (distance) C4'-P energy: -54.990
bonds (distance) P-C4' energy: -71.184
flat angles C4'-P-C4' energy: -65.775
flat angles P-C4'-P energy: -49.169
tors. eta vs tors. theta energy: -79.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -647.826081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.826081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.826081 (E_RNA)
where:
Base-Base interactions energy: -377.144
where: short stacking energy: -183.538
Base-Backbone interact. energy: -1.903
local terms energy: -268.778378
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -65.883
flat angles C4'-P-C4' energy: -65.218
flat angles P-C4'-P energy: -36.432
tors. eta vs tors. theta energy: -39.930
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: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -568.643056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.643056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.643056 (E_RNA)
where:
Base-Base interactions energy: -335.552
where: short stacking energy: -165.276
Base-Backbone interact. energy: 2.845
local terms energy: -235.935902
where:
bonds (distance) C4'-P energy: -48.287
bonds (distance) P-C4' energy: -59.347
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -29.635
tors. eta vs tors. theta energy: -39.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -492.564258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.564258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.564258 (E_RNA)
where:
Base-Base interactions energy: -257.969
where: short stacking energy: -124.509
Base-Backbone interact. energy: 0.469
local terms energy: -235.063689
where:
bonds (distance) C4'-P energy: -64.549
bonds (distance) P-C4' energy: -68.325
flat angles C4'-P-C4' energy: -55.628
flat angles P-C4'-P energy: -35.380
tors. eta vs tors. theta energy: -11.182
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: 226
Temperature: 1.250000
Total energy: -310.789446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.789446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.789446 (E_RNA)
where:
Base-Base interactions energy: -130.336
where: short stacking energy: -92.411
Base-Backbone interact. energy: 2.318
local terms energy: -182.771740
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -61.128
flat angles C4'-P-C4' energy: -46.910
flat angles P-C4'-P energy: -32.770
tors. eta vs tors. theta energy: 8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -313.776647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.776647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.776647 (E_RNA)
where:
Base-Base interactions energy: -120.766
where: short stacking energy: -63.198
Base-Backbone interact. energy: -0.761
local terms energy: -192.249278
where:
bonds (distance) C4'-P energy: -58.620
bonds (distance) P-C4' energy: -54.350
flat angles C4'-P-C4' energy: -61.639
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: 9.285
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: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -261.849645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.849645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.849645 (E_RNA)
where:
Base-Base interactions energy: -65.016
where: short stacking energy: -58.950
Base-Backbone interact. energy: -0.592
local terms energy: -196.241071
where:
bonds (distance) C4'-P energy: -60.464
bonds (distance) P-C4' energy: -58.513
flat angles C4'-P-C4' energy: -48.605
flat angles P-C4'-P energy: -43.424
tors. eta vs tors. theta energy: 14.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1113.252693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.252693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.252693 (E_RNA)
where:
Base-Base interactions energy: -764.487
where: short stacking energy: -300.296
Base-Backbone interact. energy: -1.811
local terms energy: -346.953946
where:
bonds (distance) C4'-P energy: -57.745
bonds (distance) P-C4' energy: -73.225
flat angles C4'-P-C4' energy: -78.421
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -94.321
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: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1037.583672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.583672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.583672 (E_RNA)
where:
Base-Base interactions energy: -685.655
where: short stacking energy: -282.055
Base-Backbone interact. energy: -1.624
local terms energy: -350.304338
where:
bonds (distance) C4'-P energy: -66.460
bonds (distance) P-C4' energy: -57.444
flat angles C4'-P-C4' energy: -75.464
flat angles P-C4'-P energy: -51.568
tors. eta vs tors. theta energy: -99.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1036.739261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.739261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.739261 (E_RNA)
where:
Base-Base interactions energy: -683.624
where: short stacking energy: -300.929
Base-Backbone interact. energy: -0.320
local terms energy: -352.795612
where:
bonds (distance) C4'-P energy: -70.384
bonds (distance) P-C4' energy: -62.911
flat angles C4'-P-C4' energy: -73.377
flat angles P-C4'-P energy: -39.207
tors. eta vs tors. theta energy: -106.915
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: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -928.713081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.713081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.713081 (E_RNA)
where:
Base-Base interactions energy: -604.589
where: short stacking energy: -257.241
Base-Backbone interact. energy: -1.681
local terms energy: -322.442939
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -58.873
flat angles C4'-P-C4' energy: -71.962
flat angles P-C4'-P energy: -51.017
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: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -615.680572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.680572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.680572 (E_RNA)
where:
Base-Base interactions energy: -366.812
where: short stacking energy: -165.217
Base-Backbone interact. energy: 1.820
local terms energy: -250.688439
where:
bonds (distance) C4'-P energy: -67.165
bonds (distance) P-C4' energy: -58.935
flat angles C4'-P-C4' energy: -55.902
flat angles P-C4'-P energy: -34.601
tors. eta vs tors. theta energy: -34.085
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: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -538.936614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.936614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.936614 (E_RNA)
where:
Base-Base interactions energy: -299.269
where: short stacking energy: -156.053
Base-Backbone interact. energy: -1.725
local terms energy: -237.942308
where:
bonds (distance) C4'-P energy: -53.716
bonds (distance) P-C4' energy: -64.627
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -37.257
tors. eta vs tors. theta energy: -27.753
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: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -476.355449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.355449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.355449 (E_RNA)
where:
Base-Base interactions energy: -261.499
where: short stacking energy: -130.119
Base-Backbone interact. energy: -2.138
local terms energy: -212.718959
where:
bonds (distance) C4'-P energy: -48.900
bonds (distance) P-C4' energy: -69.452
flat angles C4'-P-C4' energy: -51.169
flat angles P-C4'-P energy: -31.892
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -305.441362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.441362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.441362 (E_RNA)
where:
Base-Base interactions energy: -87.931
where: short stacking energy: -71.512
Base-Backbone interact. energy: -0.861
local terms energy: -216.649851
where:
bonds (distance) C4'-P energy: -65.624
bonds (distance) P-C4' energy: -65.559
flat angles C4'-P-C4' energy: -53.600
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -276.729177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.729177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.729177 (E_RNA)
where:
Base-Base interactions energy: -76.007
where: short stacking energy: -51.484
Base-Backbone interact. energy: -0.984
local terms energy: -199.737991
where:
bonds (distance) C4'-P energy: -62.679
bonds (distance) P-C4' energy: -74.405
flat angles C4'-P-C4' energy: -49.722
flat angles P-C4'-P energy: -31.399
tors. eta vs tors. theta energy: 18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -260.789457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.789457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.789457 (E_RNA)
where:
Base-Base interactions energy: -68.897
where: short stacking energy: -55.092
Base-Backbone interact. energy: 0.096
local terms energy: -191.988217
where:
bonds (distance) C4'-P energy: -57.857
bonds (distance) P-C4' energy: -70.870
flat angles C4'-P-C4' energy: -45.527
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: 13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1098.601879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.601879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.601879 (E_RNA)
where:
Base-Base interactions energy: -739.062
where: short stacking energy: -310.673
Base-Backbone interact. energy: 0.996
local terms energy: -360.535925
where:
bonds (distance) C4'-P energy: -71.269
bonds (distance) P-C4' energy: -60.973
flat angles C4'-P-C4' energy: -74.633
flat angles P-C4'-P energy: -49.006
tors. eta vs tors. theta energy: -104.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1047.098584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.098584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.098584 (E_RNA)
where:
Base-Base interactions energy: -688.127
where: short stacking energy: -283.703
Base-Backbone interact. energy: 0.457
local terms energy: -359.428360
where:
bonds (distance) C4'-P energy: -66.209
bonds (distance) P-C4' energy: -67.624
flat angles C4'-P-C4' energy: -76.078
flat angles P-C4'-P energy: -50.460
tors. eta vs tors. theta energy: -99.058
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: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1027.133012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.133012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.133012 (E_RNA)
where:
Base-Base interactions energy: -681.131
where: short stacking energy: -310.656
Base-Backbone interact. energy: -0.398
local terms energy: -345.604559
where:
bonds (distance) C4'-P energy: -51.669
bonds (distance) P-C4' energy: -68.317
flat angles C4'-P-C4' energy: -77.011
flat angles P-C4'-P energy: -41.940
tors. eta vs tors. theta energy: -106.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -910.491143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.491143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.491143 (E_RNA)
where:
Base-Base interactions energy: -594.351
where: short stacking energy: -271.714
Base-Backbone interact. energy: -0.435
local terms energy: -315.705011
where:
bonds (distance) C4'-P energy: -58.968
bonds (distance) P-C4' energy: -70.391
flat angles C4'-P-C4' energy: -61.274
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -79.784
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: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -566.654853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.654853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.654853 (E_RNA)
where:
Base-Base interactions energy: -323.498
where: short stacking energy: -144.674
Base-Backbone interact. energy: -1.953
local terms energy: -241.203900
where:
bonds (distance) C4'-P energy: -58.657
bonds (distance) P-C4' energy: -53.226
flat angles C4'-P-C4' energy: -63.417
flat angles P-C4'-P energy: -38.989
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -632.895266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.895266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.895266 (E_RNA)
where:
Base-Base interactions energy: -381.399
where: short stacking energy: -177.889
Base-Backbone interact. energy: -1.228
local terms energy: -250.268190
where:
bonds (distance) C4'-P energy: -58.121
bonds (distance) P-C4' energy: -47.276
flat angles C4'-P-C4' energy: -57.292
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -44.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -500.540898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.540898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.540898 (E_RNA)
where:
Base-Base interactions energy: -241.710
where: short stacking energy: -121.777
Base-Backbone interact. energy: 1.965
local terms energy: -260.796769
where:
bonds (distance) C4'-P energy: -62.010
bonds (distance) P-C4' energy: -69.469
flat angles C4'-P-C4' energy: -57.323
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -290.209073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.209073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.209073 (E_RNA)
where:
Base-Base interactions energy: -94.839
where: short stacking energy: -71.455
Base-Backbone interact. energy: -2.127
local terms energy: -193.242548
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -65.880
flat angles C4'-P-C4' energy: -48.506
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: 7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -268.122152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.122152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.122152 (E_RNA)
where:
Base-Base interactions energy: -89.101
where: short stacking energy: -72.051
Base-Backbone interact. energy: -0.161
local terms energy: -178.860157
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -69.862
flat angles C4'-P-C4' energy: -40.618
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: 6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -274.063864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.063864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.063864 (E_RNA)
where:
Base-Base interactions energy: -89.026
where: short stacking energy: -70.571
Base-Backbone interact. energy: -0.771
local terms energy: -184.266814
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -54.370
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: 3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1095.014528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.014528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.014528 (E_RNA)
where:
Base-Base interactions energy: -751.328
where: short stacking energy: -304.368
Base-Backbone interact. energy: -1.960
local terms energy: -341.726377
where:
bonds (distance) C4'-P energy: -65.138
bonds (distance) P-C4' energy: -71.216
flat angles C4'-P-C4' energy: -75.088
flat angles P-C4'-P energy: -39.751
tors. eta vs tors. theta energy: -90.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1055.995147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.995147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.995147 (E_RNA)
where:
Base-Base interactions energy: -703.619
where: short stacking energy: -299.727
Base-Backbone interact. energy: -1.190
local terms energy: -351.186072
where:
bonds (distance) C4'-P energy: -59.425
bonds (distance) P-C4' energy: -68.973
flat angles C4'-P-C4' energy: -74.935
flat angles P-C4'-P energy: -47.115
tors. eta vs tors. theta energy: -100.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1019.704178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.704178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.704178 (E_RNA)
where:
Base-Base interactions energy: -680.412
where: short stacking energy: -295.584
Base-Backbone interact. energy: -0.273
local terms energy: -339.018905
where:
bonds (distance) C4'-P energy: -60.395
bonds (distance) P-C4' energy: -70.907
flat angles C4'-P-C4' energy: -76.830
flat angles P-C4'-P energy: -31.998
tors. eta vs tors. theta energy: -98.889
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: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -897.724292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.724292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.724292 (E_RNA)
where:
Base-Base interactions energy: -581.732
where: short stacking energy: -242.658
Base-Backbone interact. energy: -0.825
local terms energy: -315.166794
where:
bonds (distance) C4'-P energy: -66.814
bonds (distance) P-C4' energy: -68.241
flat angles C4'-P-C4' energy: -68.795
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -75.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -611.072354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.072354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.072354 (E_RNA)
where:
Base-Base interactions energy: -344.350
where: short stacking energy: -183.812
Base-Backbone interact. energy: -1.089
local terms energy: -265.633640
where:
bonds (distance) C4'-P energy: -63.412
bonds (distance) P-C4' energy: -56.536
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -37.278
tors. eta vs tors. theta energy: -42.752
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: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -662.307392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.307392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.307392 (E_RNA)
where:
Base-Base interactions energy: -396.169
where: short stacking energy: -176.669
Base-Backbone interact. energy: -1.143
local terms energy: -264.994716
where:
bonds (distance) C4'-P energy: -58.021
bonds (distance) P-C4' energy: -66.212
flat angles C4'-P-C4' energy: -72.007
flat angles P-C4'-P energy: -35.304
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: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -491.822165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.822165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.822165 (E_RNA)
where:
Base-Base interactions energy: -244.236
where: short stacking energy: -138.540
Base-Backbone interact. energy: -1.112
local terms energy: -246.474384
where:
bonds (distance) C4'-P energy: -53.100
bonds (distance) P-C4' energy: -65.972
flat angles C4'-P-C4' energy: -64.380
flat angles P-C4'-P energy: -36.937
tors. eta vs tors. theta energy: -26.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -297.529316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.529316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.529316 (E_RNA)
where:
Base-Base interactions energy: -82.382
where: short stacking energy: -64.982
Base-Backbone interact. energy: -1.157
local terms energy: -213.989952
where:
bonds (distance) C4'-P energy: -51.930
bonds (distance) P-C4' energy: -70.207
flat angles C4'-P-C4' energy: -55.643
flat angles P-C4'-P energy: -40.140
tors. eta vs tors. theta energy: 3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -299.049698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.049698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.049698 (E_RNA)
where:
Base-Base interactions energy: -111.252
where: short stacking energy: -87.382
Base-Backbone interact. energy: -1.290
local terms energy: -186.507080
where:
bonds (distance) C4'-P energy: -56.388
bonds (distance) P-C4' energy: -50.520
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -34.551
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: 229
Temperature: 1.350000
Total energy: -268.495844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.495844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.495844 (E_RNA)
where:
Base-Base interactions energy: -93.792
where: short stacking energy: -73.603
Base-Backbone interact. energy: -1.098
local terms energy: -173.605707
where:
bonds (distance) C4'-P energy: -53.148
bonds (distance) P-C4' energy: -63.803
flat angles C4'-P-C4' energy: -50.144
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: 12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1113.659742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.659742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.659742 (E_RNA)
where:
Base-Base interactions energy: -763.354
where: short stacking energy: -299.595
Base-Backbone interact. energy: -0.630
local terms energy: -349.676330
where:
bonds (distance) C4'-P energy: -69.471
bonds (distance) P-C4' energy: -73.723
flat angles C4'-P-C4' energy: -74.274
flat angles P-C4'-P energy: -48.019
tors. eta vs tors. theta energy: -84.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1061.646697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.646697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.646697 (E_RNA)
where:
Base-Base interactions energy: -714.439
where: short stacking energy: -299.751
Base-Backbone interact. energy: 0.482
local terms energy: -347.689490
where:
bonds (distance) C4'-P energy: -69.899
bonds (distance) P-C4' energy: -66.993
flat angles C4'-P-C4' energy: -70.765
flat angles P-C4'-P energy: -43.198
tors. eta vs tors. theta energy: -96.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1012.792407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.792407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.792407 (E_RNA)
where:
Base-Base interactions energy: -666.337
where: short stacking energy: -302.354
Base-Backbone interact. energy: -0.346
local terms energy: -346.109086
where:
bonds (distance) C4'-P energy: -63.692
bonds (distance) P-C4' energy: -68.421
flat angles C4'-P-C4' energy: -77.916
flat angles P-C4'-P energy: -37.183
tors. eta vs tors. theta energy: -98.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -889.822955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.822955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.822955 (E_RNA)
where:
Base-Base interactions energy: -591.946
where: short stacking energy: -242.017
Base-Backbone interact. energy: 0.842
local terms energy: -298.718645
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -57.297
flat angles C4'-P-C4' energy: -62.118
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -73.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -572.865925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.865925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.865925 (E_RNA)
where:
Base-Base interactions energy: -335.490
where: short stacking energy: -162.996
Base-Backbone interact. energy: -2.789
local terms energy: -234.587345
where:
bonds (distance) C4'-P energy: -60.141
bonds (distance) P-C4' energy: -55.051
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -28.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -623.080346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.080346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.080346 (E_RNA)
where:
Base-Base interactions energy: -373.143
where: short stacking energy: -159.188
Base-Backbone interact. energy: 2.443
local terms energy: -252.379653
where:
bonds (distance) C4'-P energy: -58.032
bonds (distance) P-C4' energy: -65.674
flat angles C4'-P-C4' energy: -62.369
flat angles P-C4'-P energy: -34.375
tors. eta vs tors. theta energy: -31.930
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: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -485.861829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.861829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.861829 (E_RNA)
where:
Base-Base interactions energy: -274.710
where: short stacking energy: -128.485
Base-Backbone interact. energy: -2.169
local terms energy: -208.982625
where:
bonds (distance) C4'-P energy: -53.234
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -52.338
flat angles P-C4'-P energy: -40.438
tors. eta vs tors. theta energy: -9.331
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: 230
Temperature: 1.250000
Total energy: -292.724520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.724520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.724520 (E_RNA)
where:
Base-Base interactions energy: -101.904
where: short stacking energy: -84.315
Base-Backbone interact. energy: 0.512
local terms energy: -191.333220
where:
bonds (distance) C4'-P energy: -64.645
bonds (distance) P-C4' energy: -47.853
flat angles C4'-P-C4' energy: -51.810
flat angles P-C4'-P energy: -27.822
tors. eta vs tors. theta energy: 0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -278.066327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.066327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.066327 (E_RNA)
where:
Base-Base interactions energy: -95.727
where: short stacking energy: -78.754
Base-Backbone interact. energy: 3.518
local terms energy: -185.856454
where:
bonds (distance) C4'-P energy: -52.604
bonds (distance) P-C4' energy: -55.117
flat angles C4'-P-C4' energy: -57.026
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: 7.915
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: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -245.267636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.267636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.267636 (E_RNA)
where:
Base-Base interactions energy: -68.707
where: short stacking energy: -50.471
Base-Backbone interact. energy: -0.435
local terms energy: -176.125325
where:
bonds (distance) C4'-P energy: -58.958
bonds (distance) P-C4' energy: -50.769
flat angles C4'-P-C4' energy: -53.447
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: 8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1095.917238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.917238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.917238 (E_RNA)
where:
Base-Base interactions energy: -741.694
where: short stacking energy: -329.470
Base-Backbone interact. energy: -1.186
local terms energy: -353.037161
where:
bonds (distance) C4'-P energy: -61.063
bonds (distance) P-C4' energy: -69.412
flat angles C4'-P-C4' energy: -70.687
flat angles P-C4'-P energy: -52.226
tors. eta vs tors. theta energy: -99.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1054.101104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.101104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.101104 (E_RNA)
where:
Base-Base interactions energy: -712.227
where: short stacking energy: -296.087
Base-Backbone interact. energy: -1.723
local terms energy: -340.151358
where:
bonds (distance) C4'-P energy: -60.835
bonds (distance) P-C4' energy: -63.320
flat angles C4'-P-C4' energy: -75.352
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -90.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1010.343030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.343030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.343030 (E_RNA)
where:
Base-Base interactions energy: -670.306
where: short stacking energy: -294.430
Base-Backbone interact. energy: 1.609
local terms energy: -341.645913
where:
bonds (distance) C4'-P energy: -52.420
bonds (distance) P-C4' energy: -67.424
flat angles C4'-P-C4' energy: -69.065
flat angles P-C4'-P energy: -54.127
tors. eta vs tors. theta energy: -98.610
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: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -880.036094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.036094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.036094 (E_RNA)
where:
Base-Base interactions energy: -592.220
where: short stacking energy: -241.742
Base-Backbone interact. energy: -1.385
local terms energy: -286.431576
where:
bonds (distance) C4'-P energy: -50.401
bonds (distance) P-C4' energy: -59.426
flat angles C4'-P-C4' energy: -62.249
flat angles P-C4'-P energy: -39.362
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: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -627.820206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.820206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.820206 (E_RNA)
where:
Base-Base interactions energy: -381.993
where: short stacking energy: -185.397
Base-Backbone interact. energy: -0.788
local terms energy: -245.039340
where:
bonds (distance) C4'-P energy: -51.311
bonds (distance) P-C4' energy: -59.445
flat angles C4'-P-C4' energy: -52.925
flat angles P-C4'-P energy: -43.622
tors. eta vs tors. theta energy: -37.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -600.881386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.881386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.881386 (E_RNA)
where:
Base-Base interactions energy: -328.261
where: short stacking energy: -176.020
Base-Backbone interact. energy: 0.037
local terms energy: -272.657985
where:
bonds (distance) C4'-P energy: -49.219
bonds (distance) P-C4' energy: -66.257
flat angles C4'-P-C4' energy: -60.251
flat angles P-C4'-P energy: -41.834
tors. eta vs tors. theta energy: -55.097
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: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -462.244440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.244440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.244440 (E_RNA)
where:
Base-Base interactions energy: -217.434
where: short stacking energy: -122.311
Base-Backbone interact. energy: -1.680
local terms energy: -243.130224
where:
bonds (distance) C4'-P energy: -66.588
bonds (distance) P-C4' energy: -62.460
flat angles C4'-P-C4' energy: -59.036
flat angles P-C4'-P energy: -31.693
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -296.197855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.197855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.197855 (E_RNA)
where:
Base-Base interactions energy: -105.554
where: short stacking energy: -82.998
Base-Backbone interact. energy: -2.269
local terms energy: -188.374097
where:
bonds (distance) C4'-P energy: -65.573
bonds (distance) P-C4' energy: -55.540
flat angles C4'-P-C4' energy: -48.508
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: 6.285
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: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -302.130914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.130914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.130914 (E_RNA)
where:
Base-Base interactions energy: -126.035
where: short stacking energy: -92.166
Base-Backbone interact. energy: 0.217
local terms energy: -176.313050
where:
bonds (distance) C4'-P energy: -56.774
bonds (distance) P-C4' energy: -51.722
flat angles C4'-P-C4' energy: -40.937
flat angles P-C4'-P energy: -31.900
tors. eta vs tors. theta energy: 5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -263.105080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.105080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.105080 (E_RNA)
where:
Base-Base interactions energy: -80.799
where: short stacking energy: -62.586
Base-Backbone interact. energy: 1.688
local terms energy: -183.994666
where:
bonds (distance) C4'-P energy: -54.918
bonds (distance) P-C4' energy: -55.673
flat angles C4'-P-C4' energy: -54.890
flat angles P-C4'-P energy: -34.983
tors. eta vs tors. theta energy: 16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1091.446944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.446944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.446944 (E_RNA)
where:
Base-Base interactions energy: -745.741
where: short stacking energy: -319.424
Base-Backbone interact. energy: -1.677
local terms energy: -344.028793
where:
bonds (distance) C4'-P energy: -63.578
bonds (distance) P-C4' energy: -63.896
flat angles C4'-P-C4' energy: -74.961
flat angles P-C4'-P energy: -43.092
tors. eta vs tors. theta energy: -98.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1018.836152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.836152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.836152 (E_RNA)
where:
Base-Base interactions energy: -674.052
where: short stacking energy: -289.434
Base-Backbone interact. energy: -0.779
local terms energy: -344.004876
where:
bonds (distance) C4'-P energy: -55.167
bonds (distance) P-C4' energy: -62.525
flat angles C4'-P-C4' energy: -79.658
flat angles P-C4'-P energy: -50.952
tors. eta vs tors. theta energy: -95.703
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: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -978.224595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.224595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.224595 (E_RNA)
where:
Base-Base interactions energy: -643.463
where: short stacking energy: -288.900
Base-Backbone interact. energy: -0.683
local terms energy: -334.078821
where:
bonds (distance) C4'-P energy: -63.344
bonds (distance) P-C4' energy: -60.546
flat angles C4'-P-C4' energy: -67.240
flat angles P-C4'-P energy: -52.640
tors. eta vs tors. theta energy: -90.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -926.369443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.369443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.369443 (E_RNA)
where:
Base-Base interactions energy: -619.793
where: short stacking energy: -249.284
Base-Backbone interact. energy: -3.585
local terms energy: -302.991405
where:
bonds (distance) C4'-P energy: -56.841
bonds (distance) P-C4' energy: -66.157
flat angles C4'-P-C4' energy: -65.174
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: -73.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -604.457553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.457553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.457553 (E_RNA)
where:
Base-Base interactions energy: -346.810
where: short stacking energy: -165.318
Base-Backbone interact. energy: -2.800
local terms energy: -254.847418
where:
bonds (distance) C4'-P energy: -53.633
bonds (distance) P-C4' energy: -63.989
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: -38.225
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: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -578.415593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.415593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.415593 (E_RNA)
where:
Base-Base interactions energy: -314.855
where: short stacking energy: -157.649
Base-Backbone interact. energy: 0.061
local terms energy: -263.621490
where:
bonds (distance) C4'-P energy: -51.471
bonds (distance) P-C4' energy: -58.835
flat angles C4'-P-C4' energy: -72.263
flat angles P-C4'-P energy: -45.062
tors. eta vs tors. theta energy: -35.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -459.000144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.000144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.000144 (E_RNA)
where:
Base-Base interactions energy: -247.066
where: short stacking energy: -116.178
Base-Backbone interact. energy: -1.603
local terms energy: -210.331158
where:
bonds (distance) C4'-P energy: -59.326
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -41.143
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -307.004579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.004579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.004579 (E_RNA)
where:
Base-Base interactions energy: -120.376
where: short stacking energy: -81.615
Base-Backbone interact. energy: 0.213
local terms energy: -186.841631
where:
bonds (distance) C4'-P energy: -56.189
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -39.716
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: 9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -296.026826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.026826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.026826 (E_RNA)
where:
Base-Base interactions energy: -114.977
where: short stacking energy: -71.585
Base-Backbone interact. energy: 1.424
local terms energy: -182.473801
where:
bonds (distance) C4'-P energy: -67.974
bonds (distance) P-C4' energy: -60.822
flat angles C4'-P-C4' energy: -48.480
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: 20.508
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: 232
Temperature: 1.350000
Total energy: -272.729980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.729980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.729980 (E_RNA)
where:
Base-Base interactions energy: -95.154
where: short stacking energy: -71.458
Base-Backbone interact. energy: 6.516
local terms energy: -184.092548
where:
bonds (distance) C4'-P energy: -56.658
bonds (distance) P-C4' energy: -62.246
flat angles C4'-P-C4' energy: -53.479
flat angles P-C4'-P energy: -28.937
tors. eta vs tors. theta energy: 17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1071.537044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.537044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.537044 (E_RNA)
where:
Base-Base interactions energy: -720.389
where: short stacking energy: -307.317
Base-Backbone interact. energy: -2.442
local terms energy: -348.706111
where:
bonds (distance) C4'-P energy: -61.669
bonds (distance) P-C4' energy: -72.089
flat angles C4'-P-C4' energy: -70.775
flat angles P-C4'-P energy: -47.709
tors. eta vs tors. theta energy: -96.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1036.009568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.009568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.009568 (E_RNA)
where:
Base-Base interactions energy: -694.491
where: short stacking energy: -288.325
Base-Backbone interact. energy: -0.866
local terms energy: -340.653329
where:
bonds (distance) C4'-P energy: -59.438
bonds (distance) P-C4' energy: -67.681
flat angles C4'-P-C4' energy: -73.318
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: -99.828
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: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -997.527501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.527501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.527501 (E_RNA)
where:
Base-Base interactions energy: -654.114
where: short stacking energy: -275.005
Base-Backbone interact. energy: 1.171
local terms energy: -344.584694
where:
bonds (distance) C4'-P energy: -59.564
bonds (distance) P-C4' energy: -72.139
flat angles C4'-P-C4' energy: -72.687
flat angles P-C4'-P energy: -51.791
tors. eta vs tors. theta energy: -88.404
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: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -956.549870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.549870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.549870 (E_RNA)
where:
Base-Base interactions energy: -631.462
where: short stacking energy: -275.861
Base-Backbone interact. energy: -1.615
local terms energy: -323.472679
where:
bonds (distance) C4'-P energy: -66.425
bonds (distance) P-C4' energy: -61.809
flat angles C4'-P-C4' energy: -65.330
flat angles P-C4'-P energy: -41.271
tors. eta vs tors. theta energy: -88.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -600.944432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.944432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.944432 (E_RNA)
where:
Base-Base interactions energy: -343.567
where: short stacking energy: -150.337
Base-Backbone interact. energy: -0.400
local terms energy: -256.976630
where:
bonds (distance) C4'-P energy: -50.880
bonds (distance) P-C4' energy: -64.320
flat angles C4'-P-C4' energy: -68.745
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -32.766
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: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -549.549608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.549608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.549608 (E_RNA)
where:
Base-Base interactions energy: -299.617
where: short stacking energy: -145.141
Base-Backbone interact. energy: -0.944
local terms energy: -248.987998
where:
bonds (distance) C4'-P energy: -59.354
bonds (distance) P-C4' energy: -73.559
flat angles C4'-P-C4' energy: -56.160
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -31.436
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: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -478.792785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.792785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.792785 (E_RNA)
where:
Base-Base interactions energy: -261.834
where: short stacking energy: -129.806
Base-Backbone interact. energy: 2.097
local terms energy: -219.056060
where:
bonds (distance) C4'-P energy: -61.035
bonds (distance) P-C4' energy: -50.651
flat angles C4'-P-C4' energy: -54.178
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -374.108375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.108375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.108375 (E_RNA)
where:
Base-Base interactions energy: -186.742
where: short stacking energy: -96.907
Base-Backbone interact. energy: 1.862
local terms energy: -189.271797
where:
bonds (distance) C4'-P energy: -54.522
bonds (distance) P-C4' energy: -58.468
flat angles C4'-P-C4' energy: -44.536
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.043 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -276.491957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.491957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.491957 (E_RNA)
where:
Base-Base interactions energy: -95.738
where: short stacking energy: -77.018
Base-Backbone interact. energy: -0.181
local terms energy: -180.572683
where:
bonds (distance) C4'-P energy: -50.852
bonds (distance) P-C4' energy: -57.411
flat angles C4'-P-C4' energy: -46.845
flat angles P-C4'-P energy: -27.284
tors. eta vs tors. theta energy: 1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -240.478794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.478794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.478794 (E_RNA)
where:
Base-Base interactions energy: -70.209
where: short stacking energy: -58.812
Base-Backbone interact. energy: 3.357
local terms energy: -173.626458
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -66.011
flat angles C4'-P-C4' energy: -41.802
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: 16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1107.991346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.991346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.991346 (E_RNA)
where:
Base-Base interactions energy: -768.362
where: short stacking energy: -302.917
Base-Backbone interact. energy: -0.528
local terms energy: -339.101149
where:
bonds (distance) C4'-P energy: -66.655
bonds (distance) P-C4' energy: -62.908
flat angles C4'-P-C4' energy: -73.081
flat angles P-C4'-P energy: -51.084
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: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1042.193323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.193323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.193323 (E_RNA)
where:
Base-Base interactions energy: -687.234
where: short stacking energy: -304.444
Base-Backbone interact. energy: -0.472
local terms energy: -354.487605
where:
bonds (distance) C4'-P energy: -61.903
bonds (distance) P-C4' energy: -79.316
flat angles C4'-P-C4' energy: -72.121
flat angles P-C4'-P energy: -47.092
tors. eta vs tors. theta energy: -94.056
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: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1044.205485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.205485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.205485 (E_RNA)
where:
Base-Base interactions energy: -695.320
where: short stacking energy: -299.671
Base-Backbone interact. energy: -1.092
local terms energy: -347.793974
where:
bonds (distance) C4'-P energy: -72.113
bonds (distance) P-C4' energy: -64.952
flat angles C4'-P-C4' energy: -72.380
flat angles P-C4'-P energy: -38.016
tors. eta vs tors. theta energy: -100.333
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -935.105655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.105655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.105655 (E_RNA)
where:
Base-Base interactions energy: -617.005
where: short stacking energy: -268.890
Base-Backbone interact. energy: 7.053
local terms energy: -325.153576
where:
bonds (distance) C4'-P energy: -58.264
bonds (distance) P-C4' energy: -63.176
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -45.298
tors. eta vs tors. theta energy: -84.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -629.954145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.954145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.954145 (E_RNA)
where:
Base-Base interactions energy: -362.432
where: short stacking energy: -181.507
Base-Backbone interact. energy: -0.447
local terms energy: -267.074873
where:
bonds (distance) C4'-P energy: -64.438
bonds (distance) P-C4' energy: -58.589
flat angles C4'-P-C4' energy: -56.944
flat angles P-C4'-P energy: -43.874
tors. eta vs tors. theta energy: -43.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -529.958563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.958563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.958563 (E_RNA)
where:
Base-Base interactions energy: -269.194
where: short stacking energy: -145.246
Base-Backbone interact. energy: 3.325
local terms energy: -264.089986
where:
bonds (distance) C4'-P energy: -56.358
bonds (distance) P-C4' energy: -71.421
flat angles C4'-P-C4' energy: -59.669
flat angles P-C4'-P energy: -40.433
tors. eta vs tors. theta energy: -36.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -492.509028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.509028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.509028 (E_RNA)
where:
Base-Base interactions energy: -281.027
where: short stacking energy: -105.571
Base-Backbone interact. energy: -1.517
local terms energy: -209.965690
where:
bonds (distance) C4'-P energy: -41.807
bonds (distance) P-C4' energy: -63.106
flat angles C4'-P-C4' energy: -53.463
flat angles P-C4'-P energy: -34.475
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -369.047551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.047551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.047551 (E_RNA)
where:
Base-Base interactions energy: -184.225
where: short stacking energy: -109.967
Base-Backbone interact. energy: 2.770
local terms energy: -187.592651
where:
bonds (distance) C4'-P energy: -35.049
bonds (distance) P-C4' energy: -62.681
flat angles C4'-P-C4' energy: -53.920
flat angles P-C4'-P energy: -37.563
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: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -301.835595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.835595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.835595 (E_RNA)
where:
Base-Base interactions energy: -104.106
where: short stacking energy: -86.829
Base-Backbone interact. energy: -1.690
local terms energy: -196.039937
where:
bonds (distance) C4'-P energy: -60.169
bonds (distance) P-C4' energy: -58.072
flat angles C4'-P-C4' energy: -43.736
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -263.474720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.474720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.474720 (E_RNA)
where:
Base-Base interactions energy: -87.061
where: short stacking energy: -64.742
Base-Backbone interact. energy: 0.854
local terms energy: -177.267902
where:
bonds (distance) C4'-P energy: -46.906
bonds (distance) P-C4' energy: -68.382
flat angles C4'-P-C4' energy: -42.337
flat angles P-C4'-P energy: -30.077
tors. eta vs tors. theta energy: 10.434
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: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1097.337818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.337818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.337818 (E_RNA)
where:
Base-Base interactions energy: -743.446
where: short stacking energy: -322.312
Base-Backbone interact. energy: -3.599
local terms energy: -350.293112
where:
bonds (distance) C4'-P energy: -72.794
bonds (distance) P-C4' energy: -56.793
flat angles C4'-P-C4' energy: -76.405
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -95.001
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: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1088.226906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.226906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.226906 (E_RNA)
where:
Base-Base interactions energy: -727.026
where: short stacking energy: -313.129
Base-Backbone interact. energy: -1.791
local terms energy: -359.409985
where:
bonds (distance) C4'-P energy: -60.914
bonds (distance) P-C4' energy: -64.887
flat angles C4'-P-C4' energy: -76.375
flat angles P-C4'-P energy: -43.920
tors. eta vs tors. theta energy: -113.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1010.637736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.637736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.637736 (E_RNA)
where:
Base-Base interactions energy: -664.468
where: short stacking energy: -290.578
Base-Backbone interact. energy: 0.542
local terms energy: -346.712000
where:
bonds (distance) C4'-P energy: -67.600
bonds (distance) P-C4' energy: -58.332
flat angles C4'-P-C4' energy: -75.582
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -94.915
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: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -909.383568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.383568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.383568 (E_RNA)
where:
Base-Base interactions energy: -604.512
where: short stacking energy: -251.434
Base-Backbone interact. energy: 0.866
local terms energy: -305.736957
where:
bonds (distance) C4'-P energy: -58.353
bonds (distance) P-C4' energy: -50.963
flat angles C4'-P-C4' energy: -71.513
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: -84.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -668.161777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.161777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.161777 (E_RNA)
where:
Base-Base interactions energy: -387.587
where: short stacking energy: -191.508
Base-Backbone interact. energy: -0.203
local terms energy: -280.372293
where:
bonds (distance) C4'-P energy: -63.827
bonds (distance) P-C4' energy: -71.915
flat angles C4'-P-C4' energy: -53.036
flat angles P-C4'-P energy: -29.262
tors. eta vs tors. theta energy: -62.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -480.425236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.425236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.425236 (E_RNA)
where:
Base-Base interactions energy: -268.025
where: short stacking energy: -126.901
Base-Backbone interact. energy: -1.340
local terms energy: -211.060564
where:
bonds (distance) C4'-P energy: -57.462
bonds (distance) P-C4' energy: -50.323
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -38.033
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -441.763793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.763793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.763793 (E_RNA)
where:
Base-Base interactions energy: -247.684
where: short stacking energy: -118.061
Base-Backbone interact. energy: -0.395
local terms energy: -193.684701
where:
bonds (distance) C4'-P energy: -50.915
bonds (distance) P-C4' energy: -61.902
flat angles C4'-P-C4' energy: -50.997
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -288.536478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.536478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.536478 (E_RNA)
where:
Base-Base interactions energy: -107.832
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.321
local terms energy: -180.383227
where:
bonds (distance) C4'-P energy: -55.096
bonds (distance) P-C4' energy: -62.882
flat angles C4'-P-C4' energy: -55.337
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: 17.882
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: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -316.272356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.272356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.272356 (E_RNA)
where:
Base-Base interactions energy: -132.969
where: short stacking energy: -71.761
Base-Backbone interact. energy: -1.015
local terms energy: -182.288771
where:
bonds (distance) C4'-P energy: -45.756
bonds (distance) P-C4' energy: -70.285
flat angles C4'-P-C4' energy: -45.649
flat angles P-C4'-P energy: -38.384
tors. eta vs tors. theta energy: 17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -258.100940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.100940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.100940 (E_RNA)
where:
Base-Base interactions energy: -73.591
where: short stacking energy: -62.632
Base-Backbone interact. energy: 0.860
local terms energy: -187.163777
where:
bonds (distance) C4'-P energy: -63.644
bonds (distance) P-C4' energy: -59.963
flat angles C4'-P-C4' energy: -49.541
flat angles P-C4'-P energy: -31.341
tors. eta vs tors. theta energy: 17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.794 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1097.772198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.772198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.772198 (E_RNA)
where:
Base-Base interactions energy: -743.687
where: short stacking energy: -298.015
Base-Backbone interact. energy: -1.714
local terms energy: -352.371133
where:
bonds (distance) C4'-P energy: -67.105
bonds (distance) P-C4' energy: -68.764
flat angles C4'-P-C4' energy: -68.261
flat angles P-C4'-P energy: -45.556
tors. eta vs tors. theta energy: -102.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1062.040981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.040981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.040981 (E_RNA)
where:
Base-Base interactions energy: -698.588
where: short stacking energy: -286.880
Base-Backbone interact. energy: -0.563
local terms energy: -362.889815
where:
bonds (distance) C4'-P energy: -70.113
bonds (distance) P-C4' energy: -66.197
flat angles C4'-P-C4' energy: -68.715
flat angles P-C4'-P energy: -50.639
tors. eta vs tors. theta energy: -107.227
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: 236
Temperature: 1.000000
Total energy: -975.888400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.888400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.888400 (E_RNA)
where:
Base-Base interactions energy: -651.473
where: short stacking energy: -253.318
Base-Backbone interact. energy: -1.399
local terms energy: -323.016441
where:
bonds (distance) C4'-P energy: -55.096
bonds (distance) P-C4' energy: -57.502
flat angles C4'-P-C4' energy: -66.441
flat angles P-C4'-P energy: -54.030
tors. eta vs tors. theta energy: -89.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -903.071595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.071595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.071595 (E_RNA)
where:
Base-Base interactions energy: -592.183
where: short stacking energy: -251.337
Base-Backbone interact. energy: -1.190
local terms energy: -309.698643
where:
bonds (distance) C4'-P energy: -58.500
bonds (distance) P-C4' energy: -65.131
flat angles C4'-P-C4' energy: -70.509
flat angles P-C4'-P energy: -45.455
tors. eta vs tors. theta energy: -70.103
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: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -658.185711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.185711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.185711 (E_RNA)
where:
Base-Base interactions energy: -402.616
where: short stacking energy: -184.906
Base-Backbone interact. energy: -1.154
local terms energy: -254.416089
where:
bonds (distance) C4'-P energy: -54.412
bonds (distance) P-C4' energy: -60.338
flat angles C4'-P-C4' energy: -54.365
flat angles P-C4'-P energy: -29.646
tors. eta vs tors. theta energy: -55.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -510.460726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.460726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.460726 (E_RNA)
where:
Base-Base interactions energy: -256.662
where: short stacking energy: -154.492
Base-Backbone interact. energy: -0.390
local terms energy: -253.408939
where:
bonds (distance) C4'-P energy: -67.258
bonds (distance) P-C4' energy: -59.093
flat angles C4'-P-C4' energy: -59.562
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -31.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -469.960553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.960553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.960553 (E_RNA)
where:
Base-Base interactions energy: -249.677
where: short stacking energy: -133.718
Base-Backbone interact. energy: -0.848
local terms energy: -219.435510
where:
bonds (distance) C4'-P energy: -49.370
bonds (distance) P-C4' energy: -70.247
flat angles C4'-P-C4' energy: -56.192
flat angles P-C4'-P energy: -31.531
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -313.370496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.370496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.370496 (E_RNA)
where:
Base-Base interactions energy: -105.722
where: short stacking energy: -96.971
Base-Backbone interact. energy: 2.834
local terms energy: -210.482428
where:
bonds (distance) C4'-P energy: -55.304
bonds (distance) P-C4' energy: -59.132
flat angles C4'-P-C4' energy: -48.063
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -283.159504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.159504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.159504 (E_RNA)
where:
Base-Base interactions energy: -93.950
where: short stacking energy: -84.841
Base-Backbone interact. energy: -0.077
local terms energy: -189.132044
where:
bonds (distance) C4'-P energy: -52.608
bonds (distance) P-C4' energy: -58.702
flat angles C4'-P-C4' energy: -48.667
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -301.574417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.574417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.574417 (E_RNA)
where:
Base-Base interactions energy: -124.154
where: short stacking energy: -66.466
Base-Backbone interact. energy: -2.181
local terms energy: -175.239649
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -59.526
flat angles C4'-P-C4' energy: -47.041
flat angles P-C4'-P energy: -35.691
tors. eta vs tors. theta energy: 15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1125.449071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.449071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.449071 (E_RNA)
where:
Base-Base interactions energy: -773.241
where: short stacking energy: -308.253
Base-Backbone interact. energy: -1.630
local terms energy: -350.577856
where:
bonds (distance) C4'-P energy: -67.129
bonds (distance) P-C4' energy: -58.176
flat angles C4'-P-C4' energy: -71.433
flat angles P-C4'-P energy: -52.511
tors. eta vs tors. theta energy: -101.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1042.417858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.417858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.417858 (E_RNA)
where:
Base-Base interactions energy: -691.724
where: short stacking energy: -291.310
Base-Backbone interact. energy: -1.229
local terms energy: -349.465642
where:
bonds (distance) C4'-P energy: -64.590
bonds (distance) P-C4' energy: -69.157
flat angles C4'-P-C4' energy: -71.860
flat angles P-C4'-P energy: -48.472
tors. eta vs tors. theta energy: -95.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -972.941192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.941192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.941192 (E_RNA)
where:
Base-Base interactions energy: -651.990
where: short stacking energy: -275.835
Base-Backbone interact. energy: 0.461
local terms energy: -321.440886
where:
bonds (distance) C4'-P energy: -55.017
bonds (distance) P-C4' energy: -62.487
flat angles C4'-P-C4' energy: -73.877
flat angles P-C4'-P energy: -44.053
tors. eta vs tors. theta energy: -86.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.029 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -900.151111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.151111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.151111 (E_RNA)
where:
Base-Base interactions energy: -602.916
where: short stacking energy: -233.825
Base-Backbone interact. energy: 0.787
local terms energy: -298.021563
where:
bonds (distance) C4'-P energy: -54.179
bonds (distance) P-C4' energy: -67.050
flat angles C4'-P-C4' energy: -64.198
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -70.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -696.142625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.142625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.142625 (E_RNA)
where:
Base-Base interactions energy: -421.347
where: short stacking energy: -219.265
Base-Backbone interact. energy: -0.519
local terms energy: -274.276769
where:
bonds (distance) C4'-P energy: -64.871
bonds (distance) P-C4' energy: -67.508
flat angles C4'-P-C4' energy: -56.913
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -51.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -508.916201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.916201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.916201 (E_RNA)
where:
Base-Base interactions energy: -277.190
where: short stacking energy: -155.007
Base-Backbone interact. energy: -1.121
local terms energy: -230.604948
where:
bonds (distance) C4'-P energy: -48.376
bonds (distance) P-C4' energy: -63.471
flat angles C4'-P-C4' energy: -66.027
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -459.179218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.179218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.179218 (E_RNA)
where:
Base-Base interactions energy: -215.750
where: short stacking energy: -109.304
Base-Backbone interact. energy: -0.692
local terms energy: -242.737695
where:
bonds (distance) C4'-P energy: -70.866
bonds (distance) P-C4' energy: -66.812
flat angles C4'-P-C4' energy: -50.776
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -299.946689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.946689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.946689 (E_RNA)
where:
Base-Base interactions energy: -92.958
where: short stacking energy: -76.470
Base-Backbone interact. energy: -1.503
local terms energy: -205.727820
where:
bonds (distance) C4'-P energy: -58.191
bonds (distance) P-C4' energy: -64.644
flat angles C4'-P-C4' energy: -49.714
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: 1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.242 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -294.423397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.423397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.423397 (E_RNA)
where:
Base-Base interactions energy: -88.759
where: short stacking energy: -81.098
Base-Backbone interact. energy: 0.518
local terms energy: -206.182111
where:
bonds (distance) C4'-P energy: -65.473
bonds (distance) P-C4' energy: -58.635
flat angles C4'-P-C4' energy: -51.570
flat angles P-C4'-P energy: -29.129
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -276.418997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.418997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.418997 (E_RNA)
where:
Base-Base interactions energy: -83.560
where: short stacking energy: -65.822
Base-Backbone interact. energy: 1.367
local terms energy: -194.226137
where:
bonds (distance) C4'-P energy: -54.797
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -53.114
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: 10.080
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: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1078.218728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.218728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.218728 (E_RNA)
where:
Base-Base interactions energy: -707.261
where: short stacking energy: -316.355
Base-Backbone interact. energy: -3.515
local terms energy: -367.443524
where:
bonds (distance) C4'-P energy: -67.291
bonds (distance) P-C4' energy: -67.712
flat angles C4'-P-C4' energy: -76.188
flat angles P-C4'-P energy: -50.050
tors. eta vs tors. theta energy: -106.203
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: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1075.840215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.840215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.840215 (E_RNA)
where:
Base-Base interactions energy: -738.242
where: short stacking energy: -294.404
Base-Backbone interact. energy: -2.227
local terms energy: -335.371191
where:
bonds (distance) C4'-P energy: -56.901
bonds (distance) P-C4' energy: -60.959
flat angles C4'-P-C4' energy: -72.971
flat angles P-C4'-P energy: -44.424
tors. eta vs tors. theta energy: -100.115
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: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1010.583182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.583182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.583182 (E_RNA)
where:
Base-Base interactions energy: -671.400
where: short stacking energy: -286.062
Base-Backbone interact. energy: -1.085
local terms energy: -338.098301
where:
bonds (distance) C4'-P energy: -59.360
bonds (distance) P-C4' energy: -69.910
flat angles C4'-P-C4' energy: -71.142
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -94.556
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: 238
Temperature: 1.050000
Total energy: -900.200421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.200421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.200421 (E_RNA)
where:
Base-Base interactions energy: -599.898
where: short stacking energy: -259.748
Base-Backbone interact. energy: -0.394
local terms energy: -299.908765
where:
bonds (distance) C4'-P energy: -56.618
bonds (distance) P-C4' energy: -60.439
flat angles C4'-P-C4' energy: -66.564
flat angles P-C4'-P energy: -42.425
tors. eta vs tors. theta energy: -73.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -697.602775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.602775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.602775 (E_RNA)
where:
Base-Base interactions energy: -429.868
where: short stacking energy: -196.867
Base-Backbone interact. energy: -1.170
local terms energy: -266.565399
where:
bonds (distance) C4'-P energy: -50.996
bonds (distance) P-C4' energy: -68.022
flat angles C4'-P-C4' energy: -66.572
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -43.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -500.651051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.651051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.651051 (E_RNA)
where:
Base-Base interactions energy: -286.884
where: short stacking energy: -139.355
Base-Backbone interact. energy: -1.093
local terms energy: -212.673601
where:
bonds (distance) C4'-P energy: -49.342
bonds (distance) P-C4' energy: -62.050
flat angles C4'-P-C4' energy: -50.774
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -432.711928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.711928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.711928 (E_RNA)
where:
Base-Base interactions energy: -203.390
where: short stacking energy: -103.716
Base-Backbone interact. energy: 0.626
local terms energy: -229.947625
where:
bonds (distance) C4'-P energy: -60.123
bonds (distance) P-C4' energy: -72.567
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: -3.588
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: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -299.782048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.782048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.782048 (E_RNA)
where:
Base-Base interactions energy: -108.227
where: short stacking energy: -82.760
Base-Backbone interact. energy: -0.426
local terms energy: -191.129230
where:
bonds (distance) C4'-P energy: -51.573
bonds (distance) P-C4' energy: -62.578
flat angles C4'-P-C4' energy: -49.638
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -271.376145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.376145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.376145 (E_RNA)
where:
Base-Base interactions energy: -84.241
where: short stacking energy: -55.887
Base-Backbone interact. energy: -2.055
local terms energy: -185.079474
where:
bonds (distance) C4'-P energy: -58.598
bonds (distance) P-C4' energy: -64.129
flat angles C4'-P-C4' energy: -46.369
flat angles P-C4'-P energy: -33.807
tors. eta vs tors. theta energy: 17.824
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: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -263.863783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.863783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.863783 (E_RNA)
where:
Base-Base interactions energy: -76.299
where: short stacking energy: -60.398
Base-Backbone interact. energy: -0.136
local terms energy: -187.428388
where:
bonds (distance) C4'-P energy: -53.431
bonds (distance) P-C4' energy: -63.094
flat angles C4'-P-C4' energy: -57.519
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: 7.230
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: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1056.232646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.232646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.232646 (E_RNA)
where:
Base-Base interactions energy: -697.417
where: short stacking energy: -316.487
Base-Backbone interact. energy: -0.532
local terms energy: -358.283591
where:
bonds (distance) C4'-P energy: -55.550
bonds (distance) P-C4' energy: -74.942
flat angles C4'-P-C4' energy: -75.697
flat angles P-C4'-P energy: -50.902
tors. eta vs tors. theta energy: -101.192
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: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1013.572523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.572523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.572523 (E_RNA)
where:
Base-Base interactions energy: -650.092
where: short stacking energy: -262.877
Base-Backbone interact. energy: -1.207
local terms energy: -362.273663
where:
bonds (distance) C4'-P energy: -71.562
bonds (distance) P-C4' energy: -67.713
flat angles C4'-P-C4' energy: -70.441
flat angles P-C4'-P energy: -59.128
tors. eta vs tors. theta energy: -93.429
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: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1049.108212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.108212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.108212 (E_RNA)
where:
Base-Base interactions energy: -712.751
where: short stacking energy: -285.353
Base-Backbone interact. energy: -0.662
local terms energy: -335.695384
where:
bonds (distance) C4'-P energy: -65.714
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -63.950
flat angles P-C4'-P energy: -46.337
tors. eta vs tors. theta energy: -98.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -912.274356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.274356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.274356 (E_RNA)
where:
Base-Base interactions energy: -599.950
where: short stacking energy: -243.751
Base-Backbone interact. energy: -0.997
local terms energy: -311.327571
where:
bonds (distance) C4'-P energy: -65.064
bonds (distance) P-C4' energy: -67.055
flat angles C4'-P-C4' energy: -68.884
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -72.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -697.471510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.471510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.471510 (E_RNA)
where:
Base-Base interactions energy: -426.266
where: short stacking energy: -175.193
Base-Backbone interact. energy: 2.101
local terms energy: -273.306851
where:
bonds (distance) C4'-P energy: -70.132
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -54.303
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -43.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -554.239062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.239062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.239062 (E_RNA)
where:
Base-Base interactions energy: -297.482
where: short stacking energy: -155.168
Base-Backbone interact. energy: 0.323
local terms energy: -257.080113
where:
bonds (distance) C4'-P energy: -62.749
bonds (distance) P-C4' energy: -70.734
flat angles C4'-P-C4' energy: -62.160
flat angles P-C4'-P energy: -22.357
tors. eta vs tors. theta energy: -39.080
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: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -450.233474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.233474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.233474 (E_RNA)
where:
Base-Base interactions energy: -224.843
where: short stacking energy: -111.656
Base-Backbone interact. energy: 3.414
local terms energy: -228.804973
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -69.141
flat angles C4'-P-C4' energy: -62.911
flat angles P-C4'-P energy: -34.371
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -309.587461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.587461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.587461 (E_RNA)
where:
Base-Base interactions energy: -114.217
where: short stacking energy: -97.582
Base-Backbone interact. energy: -0.983
local terms energy: -194.387710
where:
bonds (distance) C4'-P energy: -65.345
bonds (distance) P-C4' energy: -56.100
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: 6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -273.901446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.901446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.901446 (E_RNA)
where:
Base-Base interactions energy: -86.086
where: short stacking energy: -66.523
Base-Backbone interact. energy: -2.188
local terms energy: -185.627223
where:
bonds (distance) C4'-P energy: -60.812
bonds (distance) P-C4' energy: -57.971
flat angles C4'-P-C4' energy: -46.875
flat angles P-C4'-P energy: -32.757
tors. eta vs tors. theta energy: 12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -282.308270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.308270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.308270 (E_RNA)
where:
Base-Base interactions energy: -100.760
where: short stacking energy: -58.824
Base-Backbone interact. energy: -1.263
local terms energy: -180.284823
where:
bonds (distance) C4'-P energy: -54.061
bonds (distance) P-C4' energy: -67.296
flat angles C4'-P-C4' energy: -47.132
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: 14.080
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: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1073.689829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.689829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.689829 (E_RNA)
where:
Base-Base interactions energy: -718.633
where: short stacking energy: -315.505
Base-Backbone interact. energy: 0.222
local terms energy: -355.280196
where:
bonds (distance) C4'-P energy: -66.190
bonds (distance) P-C4' energy: -62.774
flat angles C4'-P-C4' energy: -76.302
flat angles P-C4'-P energy: -49.702
tors. eta vs tors. theta energy: -100.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.001 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1055.999749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.999749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.999749 (E_RNA)
where:
Base-Base interactions energy: -704.449
where: short stacking energy: -298.574
Base-Backbone interact. energy: 2.223
local terms energy: -353.773530
where:
bonds (distance) C4'-P energy: -65.097
bonds (distance) P-C4' energy: -68.368
flat angles C4'-P-C4' energy: -70.484
flat angles P-C4'-P energy: -49.683
tors. eta vs tors. theta energy: -100.142
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: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1046.136717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.136717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.136717 (E_RNA)
where:
Base-Base interactions energy: -732.483
where: short stacking energy: -284.337
Base-Backbone interact. energy: -3.379
local terms energy: -310.274810
where:
bonds (distance) C4'-P energy: -63.654
bonds (distance) P-C4' energy: -61.572
flat angles C4'-P-C4' energy: -62.936
flat angles P-C4'-P energy: -36.437
tors. eta vs tors. theta energy: -85.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -887.340168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.340168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.340168 (E_RNA)
where:
Base-Base interactions energy: -563.251
where: short stacking energy: -248.144
Base-Backbone interact. energy: -1.170
local terms energy: -322.918767
where:
bonds (distance) C4'-P energy: -68.333
bonds (distance) P-C4' energy: -66.058
flat angles C4'-P-C4' energy: -66.276
flat angles P-C4'-P energy: -47.016
tors. eta vs tors. theta energy: -75.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -759.805727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.805727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.805727 (E_RNA)
where:
Base-Base interactions energy: -473.168
where: short stacking energy: -218.783
Base-Backbone interact. energy: 0.549
local terms energy: -287.187302
where:
bonds (distance) C4'-P energy: -62.906
bonds (distance) P-C4' energy: -60.752
flat angles C4'-P-C4' energy: -62.404
flat angles P-C4'-P energy: -45.272
tors. eta vs tors. theta energy: -55.854
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: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -532.310206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.310206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.310206 (E_RNA)
where:
Base-Base interactions energy: -295.310
where: short stacking energy: -149.566
Base-Backbone interact. energy: -0.378
local terms energy: -236.622047
where:
bonds (distance) C4'-P energy: -49.829
bonds (distance) P-C4' energy: -67.458
flat angles C4'-P-C4' energy: -65.454
flat angles P-C4'-P energy: -34.646
tors. eta vs tors. theta energy: -19.235
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: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -472.280799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.280799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.280799 (E_RNA)
where:
Base-Base interactions energy: -247.210
where: short stacking energy: -118.266
Base-Backbone interact. energy: 2.335
local terms energy: -227.405812
where:
bonds (distance) C4'-P energy: -53.863
bonds (distance) P-C4' energy: -62.400
flat angles C4'-P-C4' energy: -55.252
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -295.644945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.644945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.644945 (E_RNA)
where:
Base-Base interactions energy: -108.554
where: short stacking energy: -90.608
Base-Backbone interact. energy: 0.094
local terms energy: -187.184542
where:
bonds (distance) C4'-P energy: -50.420
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -33.282
tors. eta vs tors. theta energy: 4.185
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: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -268.969003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.969003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.969003 (E_RNA)
where:
Base-Base interactions energy: -95.182
where: short stacking energy: -80.500
Base-Backbone interact. energy: -0.447
local terms energy: -173.339632
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -52.812
flat angles C4'-P-C4' energy: -45.588
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: 7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -247.529574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.529574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.529574 (E_RNA)
where:
Base-Base interactions energy: -83.406
where: short stacking energy: -45.494
Base-Backbone interact. energy: -0.863
local terms energy: -163.556120
where:
bonds (distance) C4'-P energy: -55.437
bonds (distance) P-C4' energy: -51.122
flat angles C4'-P-C4' energy: -37.546
flat angles P-C4'-P energy: -41.358
tors. eta vs tors. theta energy: 21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.295 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1084.754866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.754866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.754866 (E_RNA)
where:
Base-Base interactions energy: -726.637
where: short stacking energy: -334.841
Base-Backbone interact. energy: -0.225
local terms energy: -357.892674
where:
bonds (distance) C4'-P energy: -68.271
bonds (distance) P-C4' energy: -56.730
flat angles C4'-P-C4' energy: -76.931
flat angles P-C4'-P energy: -46.813
tors. eta vs tors. theta energy: -109.148
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: 241
Temperature: 0.950000
Total energy: -1083.661229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.661229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.661229 (E_RNA)
where:
Base-Base interactions energy: -737.440
where: short stacking energy: -291.230
Base-Backbone interact. energy: -2.389
local terms energy: -343.832458
where:
bonds (distance) C4'-P energy: -61.736
bonds (distance) P-C4' energy: -73.479
flat angles C4'-P-C4' energy: -70.787
flat angles P-C4'-P energy: -45.224
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: 241
Temperature: 1.000000
Total energy: -996.303445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.303445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.303445 (E_RNA)
where:
Base-Base interactions energy: -666.898
where: short stacking energy: -283.949
Base-Backbone interact. energy: -0.637
local terms energy: -328.768792
where:
bonds (distance) C4'-P energy: -56.330
bonds (distance) P-C4' energy: -69.838
flat angles C4'-P-C4' energy: -67.726
flat angles P-C4'-P energy: -46.874
tors. eta vs tors. theta energy: -88.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -874.681692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.681692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.681692 (E_RNA)
where:
Base-Base interactions energy: -562.917
where: short stacking energy: -236.690
Base-Backbone interact. energy: 0.222
local terms energy: -311.987235
where:
bonds (distance) C4'-P energy: -75.967
bonds (distance) P-C4' energy: -69.694
flat angles C4'-P-C4' energy: -61.272
flat angles P-C4'-P energy: -40.773
tors. eta vs tors. theta energy: -64.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -764.770716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.770716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.770716 (E_RNA)
where:
Base-Base interactions energy: -495.586
where: short stacking energy: -221.553
Base-Backbone interact. energy: 0.917
local terms energy: -270.102421
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -59.106
flat angles C4'-P-C4' energy: -65.842
flat angles P-C4'-P energy: -32.698
tors. eta vs tors. theta energy: -57.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -522.078072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.078072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.078072 (E_RNA)
where:
Base-Base interactions energy: -262.965
where: short stacking energy: -110.921
Base-Backbone interact. energy: -2.265
local terms energy: -256.848466
where:
bonds (distance) C4'-P energy: -62.464
bonds (distance) P-C4' energy: -52.930
flat angles C4'-P-C4' energy: -63.486
flat angles P-C4'-P energy: -44.984
tors. eta vs tors. theta energy: -32.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -526.377539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.377539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.377539 (E_RNA)
where:
Base-Base interactions energy: -309.167
where: short stacking energy: -154.478
Base-Backbone interact. energy: 0.443
local terms energy: -217.653985
where:
bonds (distance) C4'-P energy: -53.773
bonds (distance) P-C4' energy: -47.944
flat angles C4'-P-C4' energy: -64.263
flat angles P-C4'-P energy: -21.765
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: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -286.017474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.017474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.017474 (E_RNA)
where:
Base-Base interactions energy: -94.512
where: short stacking energy: -67.707
Base-Backbone interact. energy: -1.761
local terms energy: -189.745196
where:
bonds (distance) C4'-P energy: -65.589
bonds (distance) P-C4' energy: -49.945
flat angles C4'-P-C4' energy: -54.202
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -253.849103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.849103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.849103 (E_RNA)
where:
Base-Base interactions energy: -62.539
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.224
local terms energy: -192.578541
where:
bonds (distance) C4'-P energy: -65.360
bonds (distance) P-C4' energy: -65.975
flat angles C4'-P-C4' energy: -48.454
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: 7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.492 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -264.420904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.420904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.420904 (E_RNA)
where:
Base-Base interactions energy: -91.524
where: short stacking energy: -64.696
Base-Backbone interact. energy: -1.682
local terms energy: -171.214360
where:
bonds (distance) C4'-P energy: -64.232
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -42.988
flat angles P-C4'-P energy: -24.381
tors. eta vs tors. theta energy: 12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1074.965510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.965510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.965510 (E_RNA)
where:
Base-Base interactions energy: -701.584
where: short stacking energy: -317.857
Base-Backbone interact. energy: -1.396
local terms energy: -372.373833
where:
bonds (distance) C4'-P energy: -70.948
bonds (distance) P-C4' energy: -68.649
flat angles C4'-P-C4' energy: -76.246
flat angles P-C4'-P energy: -54.884
tors. eta vs tors. theta energy: -101.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.389 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1072.147873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.147873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.147873 (E_RNA)
where:
Base-Base interactions energy: -729.419
where: short stacking energy: -276.103
Base-Backbone interact. energy: 2.196
local terms energy: -344.924787
where:
bonds (distance) C4'-P energy: -66.889
bonds (distance) P-C4' energy: -68.429
flat angles C4'-P-C4' energy: -66.463
flat angles P-C4'-P energy: -41.639
tors. eta vs tors. theta energy: -101.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -975.695983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.695983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.695983 (E_RNA)
where:
Base-Base interactions energy: -638.414
where: short stacking energy: -269.508
Base-Backbone interact. energy: -0.621
local terms energy: -336.660855
where:
bonds (distance) C4'-P energy: -66.045
bonds (distance) P-C4' energy: -65.296
flat angles C4'-P-C4' energy: -68.097
flat angles P-C4'-P energy: -47.853
tors. eta vs tors. theta energy: -89.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -899.192212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.192212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.192212 (E_RNA)
where:
Base-Base interactions energy: -596.838
where: short stacking energy: -237.154
Base-Backbone interact. energy: -2.635
local terms energy: -299.718583
where:
bonds (distance) C4'-P energy: -63.893
bonds (distance) P-C4' energy: -57.437
flat angles C4'-P-C4' energy: -70.794
flat angles P-C4'-P energy: -43.323
tors. eta vs tors. theta energy: -64.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -735.127531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.127531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.127531 (E_RNA)
where:
Base-Base interactions energy: -448.507
where: short stacking energy: -197.592
Base-Backbone interact. energy: 0.828
local terms energy: -287.448260
where:
bonds (distance) C4'-P energy: -69.873
bonds (distance) P-C4' energy: -49.029
flat angles C4'-P-C4' energy: -62.931
flat angles P-C4'-P energy: -51.115
tors. eta vs tors. theta energy: -54.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -522.054527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.054527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.054527 (E_RNA)
where:
Base-Base interactions energy: -268.150
where: short stacking energy: -141.860
Base-Backbone interact. energy: -1.495
local terms energy: -252.409841
where:
bonds (distance) C4'-P energy: -56.621
bonds (distance) P-C4' energy: -61.639
flat angles C4'-P-C4' energy: -65.539
flat angles P-C4'-P energy: -38.475
tors. eta vs tors. theta energy: -30.136
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: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -521.111834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.111834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.111834 (E_RNA)
where:
Base-Base interactions energy: -297.492
where: short stacking energy: -148.370
Base-Backbone interact. energy: -0.308
local terms energy: -223.311834
where:
bonds (distance) C4'-P energy: -61.239
bonds (distance) P-C4' energy: -50.219
flat angles C4'-P-C4' energy: -59.575
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -290.095308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.095308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.095308 (E_RNA)
where:
Base-Base interactions energy: -87.343
where: short stacking energy: -61.735
Base-Backbone interact. energy: -1.250
local terms energy: -201.501772
where:
bonds (distance) C4'-P energy: -72.934
bonds (distance) P-C4' energy: -65.218
flat angles C4'-P-C4' energy: -53.542
flat angles P-C4'-P energy: -28.696
tors. eta vs tors. theta energy: 18.888
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: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -274.648951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.648951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.648951 (E_RNA)
where:
Base-Base interactions energy: -92.247
where: short stacking energy: -61.591
Base-Backbone interact. energy: 1.722
local terms energy: -184.123280
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -67.073
flat angles C4'-P-C4' energy: -55.038
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: 14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -252.356798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.356798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.356798 (E_RNA)
where:
Base-Base interactions energy: -82.955
where: short stacking energy: -68.753
Base-Backbone interact. energy: -1.284
local terms energy: -168.118322
where:
bonds (distance) C4'-P energy: -54.912
bonds (distance) P-C4' energy: -58.494
flat angles C4'-P-C4' energy: -40.120
flat angles P-C4'-P energy: -20.779
tors. eta vs tors. theta energy: 6.187
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: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1086.931297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.931297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.931297 (E_RNA)
where:
Base-Base interactions energy: -728.014
where: short stacking energy: -314.599
Base-Backbone interact. energy: 0.773
local terms energy: -359.690457
where:
bonds (distance) C4'-P energy: -63.610
bonds (distance) P-C4' energy: -56.247
flat angles C4'-P-C4' energy: -74.320
flat angles P-C4'-P energy: -53.200
tors. eta vs tors. theta energy: -112.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1054.208387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.208387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.208387 (E_RNA)
where:
Base-Base interactions energy: -713.578
where: short stacking energy: -281.110
Base-Backbone interact. energy: -0.698
local terms energy: -339.932274
where:
bonds (distance) C4'-P energy: -62.307
bonds (distance) P-C4' energy: -65.998
flat angles C4'-P-C4' energy: -69.796
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -96.124
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: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -982.182366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.182366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.182366 (E_RNA)
where:
Base-Base interactions energy: -640.379
where: short stacking energy: -273.699
Base-Backbone interact. energy: 0.178
local terms energy: -341.981618
where:
bonds (distance) C4'-P energy: -65.569
bonds (distance) P-C4' energy: -78.411
flat angles C4'-P-C4' energy: -66.501
flat angles P-C4'-P energy: -44.509
tors. eta vs tors. theta energy: -86.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -901.805073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.805073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.805073 (E_RNA)
where:
Base-Base interactions energy: -602.423
where: short stacking energy: -250.167
Base-Backbone interact. energy: -2.348
local terms energy: -297.034363
where:
bonds (distance) C4'-P energy: -60.858
bonds (distance) P-C4' energy: -56.183
flat angles C4'-P-C4' energy: -60.119
flat angles P-C4'-P energy: -43.437
tors. eta vs tors. theta energy: -76.437
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: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -681.919667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.919667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.919667 (E_RNA)
where:
Base-Base interactions energy: -432.886
where: short stacking energy: -179.937
Base-Backbone interact. energy: 9.793
local terms energy: -258.826570
where:
bonds (distance) C4'-P energy: -65.777
bonds (distance) P-C4' energy: -66.951
flat angles C4'-P-C4' energy: -54.294
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -46.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -534.504564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.504564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.504564 (E_RNA)
where:
Base-Base interactions energy: -285.158
where: short stacking energy: -151.182
Base-Backbone interact. energy: -1.712
local terms energy: -247.634416
where:
bonds (distance) C4'-P energy: -40.859
bonds (distance) P-C4' energy: -69.663
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -46.190
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -452.423023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.423023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.423023 (E_RNA)
where:
Base-Base interactions energy: -238.218
where: short stacking energy: -119.080
Base-Backbone interact. energy: 3.993
local terms energy: -218.197316
where:
bonds (distance) C4'-P energy: -68.647
bonds (distance) P-C4' energy: -64.850
flat angles C4'-P-C4' energy: -48.348
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -311.319574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.319574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.319574 (E_RNA)
where:
Base-Base interactions energy: -101.850
where: short stacking energy: -77.004
Base-Backbone interact. energy: -1.004
local terms energy: -208.465488
where:
bonds (distance) C4'-P energy: -67.179
bonds (distance) P-C4' energy: -57.284
flat angles C4'-P-C4' energy: -52.758
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -282.934220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.934220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.934220 (E_RNA)
where:
Base-Base interactions energy: -100.422
where: short stacking energy: -66.853
Base-Backbone interact. energy: -0.837
local terms energy: -181.674711
where:
bonds (distance) C4'-P energy: -49.859
bonds (distance) P-C4' energy: -55.451
flat angles C4'-P-C4' energy: -58.363
flat angles P-C4'-P energy: -31.440
tors. eta vs tors. theta energy: 13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -260.139774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.139774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.139774 (E_RNA)
where:
Base-Base interactions energy: -87.456
where: short stacking energy: -70.121
Base-Backbone interact. energy: -0.738
local terms energy: -171.944885
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -63.446
flat angles C4'-P-C4' energy: -54.015
flat angles P-C4'-P energy: -29.513
tors. eta vs tors. theta energy: 17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1091.755972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.755972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.755972 (E_RNA)
where:
Base-Base interactions energy: -724.230
where: short stacking energy: -316.943
Base-Backbone interact. energy: -0.433
local terms energy: -367.093378
where:
bonds (distance) C4'-P energy: -66.372
bonds (distance) P-C4' energy: -64.408
flat angles C4'-P-C4' energy: -67.206
flat angles P-C4'-P energy: -53.253
tors. eta vs tors. theta energy: -115.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1038.035164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.035164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.035164 (E_RNA)
where:
Base-Base interactions energy: -694.953
where: short stacking energy: -259.826
Base-Backbone interact. energy: -2.126
local terms energy: -340.955363
where:
bonds (distance) C4'-P energy: -63.063
bonds (distance) P-C4' energy: -68.038
flat angles C4'-P-C4' energy: -74.388
flat angles P-C4'-P energy: -49.247
tors. eta vs tors. theta energy: -86.220
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -960.772534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.772534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.772534 (E_RNA)
where:
Base-Base interactions energy: -639.271
where: short stacking energy: -271.672
Base-Backbone interact. energy: -1.509
local terms energy: -319.991890
where:
bonds (distance) C4'-P energy: -70.074
bonds (distance) P-C4' energy: -54.867
flat angles C4'-P-C4' energy: -64.084
flat angles P-C4'-P energy: -44.815
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: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -914.759626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.759626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.759626 (E_RNA)
where:
Base-Base interactions energy: -602.773
where: short stacking energy: -245.456
Base-Backbone interact. energy: -2.471
local terms energy: -309.515775
where:
bonds (distance) C4'-P energy: -56.944
bonds (distance) P-C4' energy: -65.338
flat angles C4'-P-C4' energy: -67.301
flat angles P-C4'-P energy: -50.776
tors. eta vs tors. theta energy: -69.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -737.399448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.399448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.399448 (E_RNA)
where:
Base-Base interactions energy: -478.572
where: short stacking energy: -212.309
Base-Backbone interact. energy: -1.953
local terms energy: -256.874276
where:
bonds (distance) C4'-P energy: -64.324
bonds (distance) P-C4' energy: -53.895
flat angles C4'-P-C4' energy: -67.421
flat angles P-C4'-P energy: -32.379
tors. eta vs tors. theta energy: -38.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -493.483976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.483976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.483976 (E_RNA)
where:
Base-Base interactions energy: -232.549
where: short stacking energy: -118.119
Base-Backbone interact. energy: -0.844
local terms energy: -260.090783
where:
bonds (distance) C4'-P energy: -65.370
bonds (distance) P-C4' energy: -77.431
flat angles C4'-P-C4' energy: -50.638
flat angles P-C4'-P energy: -42.204
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -470.662197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.662197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.662197 (E_RNA)
where:
Base-Base interactions energy: -255.512
where: short stacking energy: -116.232
Base-Backbone interact. energy: 0.358
local terms energy: -215.508228
where:
bonds (distance) C4'-P energy: -53.689
bonds (distance) P-C4' energy: -57.720
flat angles C4'-P-C4' energy: -54.766
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -13.681
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: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -335.690805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.690805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.690805 (E_RNA)
where:
Base-Base interactions energy: -135.469
where: short stacking energy: -90.649
Base-Backbone interact. energy: 0.785
local terms energy: -201.006840
where:
bonds (distance) C4'-P energy: -56.046
bonds (distance) P-C4' energy: -60.793
flat angles C4'-P-C4' energy: -51.662
flat angles P-C4'-P energy: -28.209
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -288.132088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.132088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.132088 (E_RNA)
where:
Base-Base interactions energy: -117.173
where: short stacking energy: -78.788
Base-Backbone interact. energy: -0.533
local terms energy: -170.426542
where:
bonds (distance) C4'-P energy: -57.477
bonds (distance) P-C4' energy: -52.677
flat angles C4'-P-C4' energy: -40.906
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: 2.007
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: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -280.001771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.001771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.001771 (E_RNA)
where:
Base-Base interactions energy: -101.059
where: short stacking energy: -70.969
Base-Backbone interact. energy: 1.847
local terms energy: -181.144785
where:
bonds (distance) C4'-P energy: -49.651
bonds (distance) P-C4' energy: -49.005
flat angles C4'-P-C4' energy: -59.126
flat angles P-C4'-P energy: -35.069
tors. eta vs tors. theta energy: 11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.355 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1096.294366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.294366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.294366 (E_RNA)
where:
Base-Base interactions energy: -705.870
where: short stacking energy: -308.176
Base-Backbone interact. energy: -0.138
local terms energy: -390.287166
where:
bonds (distance) C4'-P energy: -71.921
bonds (distance) P-C4' energy: -76.361
flat angles C4'-P-C4' energy: -79.914
flat angles P-C4'-P energy: -54.947
tors. eta vs tors. theta energy: -107.144
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: 245
Temperature: 0.950000
Total energy: -1048.901693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.901693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.901693 (E_RNA)
where:
Base-Base interactions energy: -711.267
where: short stacking energy: -297.995
Base-Backbone interact. energy: -0.523
local terms energy: -337.111686
where:
bonds (distance) C4'-P energy: -59.610
bonds (distance) P-C4' energy: -66.366
flat angles C4'-P-C4' energy: -69.681
flat angles P-C4'-P energy: -44.857
tors. eta vs tors. theta energy: -96.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -981.992640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.992640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.992640 (E_RNA)
where:
Base-Base interactions energy: -653.045
where: short stacking energy: -277.585
Base-Backbone interact. energy: -1.810
local terms energy: -327.138037
where:
bonds (distance) C4'-P energy: -64.090
bonds (distance) P-C4' energy: -59.440
flat angles C4'-P-C4' energy: -68.269
flat angles P-C4'-P energy: -50.178
tors. eta vs tors. theta energy: -85.161
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: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -910.199786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.199786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.199786 (E_RNA)
where:
Base-Base interactions energy: -593.508
where: short stacking energy: -256.111
Base-Backbone interact. energy: -0.529
local terms energy: -316.162969
where:
bonds (distance) C4'-P energy: -60.491
bonds (distance) P-C4' energy: -56.472
flat angles C4'-P-C4' energy: -70.981
flat angles P-C4'-P energy: -41.624
tors. eta vs tors. theta energy: -86.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -725.476390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.476390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.476390 (E_RNA)
where:
Base-Base interactions energy: -465.400
where: short stacking energy: -203.530
Base-Backbone interact. energy: 0.733
local terms energy: -260.809623
where:
bonds (distance) C4'-P energy: -60.313
bonds (distance) P-C4' energy: -66.802
flat angles C4'-P-C4' energy: -59.900
flat angles P-C4'-P energy: -35.814
tors. eta vs tors. theta energy: -37.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -537.977394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.977394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.977394 (E_RNA)
where:
Base-Base interactions energy: -312.745
where: short stacking energy: -138.611
Base-Backbone interact. energy: -0.726
local terms energy: -224.506351
where:
bonds (distance) C4'-P energy: -50.665
bonds (distance) P-C4' energy: -63.479
flat angles C4'-P-C4' energy: -59.514
flat angles P-C4'-P energy: -31.069
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -435.809729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.809729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.809729 (E_RNA)
where:
Base-Base interactions energy: -222.390
where: short stacking energy: -131.116
Base-Backbone interact. energy: -1.595
local terms energy: -211.824637
where:
bonds (distance) C4'-P energy: -64.169
bonds (distance) P-C4' energy: -56.483
flat angles C4'-P-C4' energy: -49.969
flat angles P-C4'-P energy: -27.712
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -302.556390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.556390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.556390 (E_RNA)
where:
Base-Base interactions energy: -101.281
where: short stacking energy: -93.705
Base-Backbone interact. energy: -1.420
local terms energy: -199.855923
where:
bonds (distance) C4'-P energy: -50.888
bonds (distance) P-C4' energy: -66.905
flat angles C4'-P-C4' energy: -57.763
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -4.566
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: 245
Temperature: 1.300000
Total energy: -304.440606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.440606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.440606 (E_RNA)
where:
Base-Base interactions energy: -108.173
where: short stacking energy: -88.142
Base-Backbone interact. energy: -1.657
local terms energy: -194.611012
where:
bonds (distance) C4'-P energy: -49.270
bonds (distance) P-C4' energy: -56.925
flat angles C4'-P-C4' energy: -55.333
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -250.533494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.533494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.533494 (E_RNA)
where:
Base-Base interactions energy: -77.934
where: short stacking energy: -62.585
Base-Backbone interact. energy: -1.899
local terms energy: -170.700711
where:
bonds (distance) C4'-P energy: -41.597
bonds (distance) P-C4' energy: -57.839
flat angles C4'-P-C4' energy: -55.384
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: 10.788
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: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1088.239064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.239064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.239064 (E_RNA)
where:
Base-Base interactions energy: -719.786
where: short stacking energy: -328.345
Base-Backbone interact. energy: -0.089
local terms energy: -368.363894
where:
bonds (distance) C4'-P energy: -69.341
bonds (distance) P-C4' energy: -69.104
flat angles C4'-P-C4' energy: -74.743
flat angles P-C4'-P energy: -47.986
tors. eta vs tors. theta energy: -107.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1088.110828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.110828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.110828 (E_RNA)
where:
Base-Base interactions energy: -728.179
where: short stacking energy: -304.962
Base-Backbone interact. energy: -1.263
local terms energy: -358.668656
where:
bonds (distance) C4'-P energy: -64.489
bonds (distance) P-C4' energy: -60.956
flat angles C4'-P-C4' energy: -79.458
flat angles P-C4'-P energy: -48.202
tors. eta vs tors. theta energy: -105.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -968.537615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.537615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.537615 (E_RNA)
where:
Base-Base interactions energy: -647.861
where: short stacking energy: -255.264
Base-Backbone interact. energy: -1.586
local terms energy: -319.091002
where:
bonds (distance) C4'-P energy: -67.984
bonds (distance) P-C4' energy: -62.960
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -51.538
tors. eta vs tors. theta energy: -74.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -910.738773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.738773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.738773 (E_RNA)
where:
Base-Base interactions energy: -595.447
where: short stacking energy: -249.781
Base-Backbone interact. energy: 1.370
local terms energy: -316.661526
where:
bonds (distance) C4'-P energy: -70.483
bonds (distance) P-C4' energy: -62.269
flat angles C4'-P-C4' energy: -66.960
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -79.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -752.759067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.759067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.759067 (E_RNA)
where:
Base-Base interactions energy: -483.942
where: short stacking energy: -194.547
Base-Backbone interact. energy: -0.495
local terms energy: -268.321778
where:
bonds (distance) C4'-P energy: -57.926
bonds (distance) P-C4' energy: -68.111
flat angles C4'-P-C4' energy: -52.798
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: -57.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -530.225997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.225997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.225997 (E_RNA)
where:
Base-Base interactions energy: -287.454
where: short stacking energy: -141.616
Base-Backbone interact. energy: 1.403
local terms energy: -244.175869
where:
bonds (distance) C4'-P energy: -56.882
bonds (distance) P-C4' energy: -75.889
flat angles C4'-P-C4' energy: -46.249
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -27.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -448.002116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.002116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.002116 (E_RNA)
where:
Base-Base interactions energy: -226.392
where: short stacking energy: -134.801
Base-Backbone interact. energy: -0.546
local terms energy: -221.064388
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -65.537
flat angles C4'-P-C4' energy: -42.641
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -20.594
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: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -314.974852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.974852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.974852 (E_RNA)
where:
Base-Base interactions energy: -124.935
where: short stacking energy: -85.591
Base-Backbone interact. energy: 2.955
local terms energy: -192.994704
where:
bonds (distance) C4'-P energy: -45.570
bonds (distance) P-C4' energy: -52.397
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -34.516
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -263.147170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.147170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.147170 (E_RNA)
where:
Base-Base interactions energy: -83.007
where: short stacking energy: -70.825
Base-Backbone interact. energy: 2.762
local terms energy: -182.901809
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -51.273
flat angles C4'-P-C4' energy: -43.221
flat angles P-C4'-P energy: -40.459
tors. eta vs tors. theta energy: 7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -246.084793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.084793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.084793 (E_RNA)
where:
Base-Base interactions energy: -78.928
where: short stacking energy: -69.243
Base-Backbone interact. energy: -0.771
local terms energy: -166.385272
where:
bonds (distance) C4'-P energy: -57.016
bonds (distance) P-C4' energy: -51.137
flat angles C4'-P-C4' energy: -43.968
flat angles P-C4'-P energy: -27.830
tors. eta vs tors. theta energy: 13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1097.316171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.316171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.316171 (E_RNA)
where:
Base-Base interactions energy: -733.761
where: short stacking energy: -338.485
Base-Backbone interact. energy: 0.032
local terms energy: -363.587135
where:
bonds (distance) C4'-P energy: -64.634
bonds (distance) P-C4' energy: -63.715
flat angles C4'-P-C4' energy: -76.147
flat angles P-C4'-P energy: -51.909
tors. eta vs tors. theta energy: -107.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1079.055986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.055986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.055986 (E_RNA)
where:
Base-Base interactions energy: -714.261
where: short stacking energy: -296.446
Base-Backbone interact. energy: -1.705
local terms energy: -363.089771
where:
bonds (distance) C4'-P energy: -68.194
bonds (distance) P-C4' energy: -68.573
flat angles C4'-P-C4' energy: -72.096
flat angles P-C4'-P energy: -47.486
tors. eta vs tors. theta energy: -106.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -986.410791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.410791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.410791 (E_RNA)
where:
Base-Base interactions energy: -669.454
where: short stacking energy: -274.303
Base-Backbone interact. energy: -1.243
local terms energy: -315.713871
where:
bonds (distance) C4'-P energy: -58.379
bonds (distance) P-C4' energy: -62.119
flat angles C4'-P-C4' energy: -71.922
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -79.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -892.565376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.565376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.565376 (E_RNA)
where:
Base-Base interactions energy: -591.440
where: short stacking energy: -223.801
Base-Backbone interact. energy: -0.799
local terms energy: -300.326585
where:
bonds (distance) C4'-P energy: -65.404
bonds (distance) P-C4' energy: -60.889
flat angles C4'-P-C4' energy: -63.741
flat angles P-C4'-P energy: -45.974
tors. eta vs tors. theta energy: -64.319
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: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -768.003190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.003190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.003190 (E_RNA)
where:
Base-Base interactions energy: -483.692
where: short stacking energy: -211.246
Base-Backbone interact. energy: -1.249
local terms energy: -283.062063
where:
bonds (distance) C4'-P energy: -55.445
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -56.434
flat angles P-C4'-P energy: -46.307
tors. eta vs tors. theta energy: -57.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -559.740992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.740992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.740992 (E_RNA)
where:
Base-Base interactions energy: -299.675
where: short stacking energy: -143.368
Base-Backbone interact. energy: 1.523
local terms energy: -261.588333
where:
bonds (distance) C4'-P energy: -65.049
bonds (distance) P-C4' energy: -59.699
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -31.621
tors. eta vs tors. theta energy: -45.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -455.307274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.307274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.307274 (E_RNA)
where:
Base-Base interactions energy: -208.575
where: short stacking energy: -142.721
Base-Backbone interact. energy: -1.401
local terms energy: -245.331204
where:
bonds (distance) C4'-P energy: -51.671
bonds (distance) P-C4' energy: -67.741
flat angles C4'-P-C4' energy: -64.701
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -23.072
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: 247
Temperature: 1.250000
Total energy: -319.046278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.046278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.046278 (E_RNA)
where:
Base-Base interactions energy: -132.610
where: short stacking energy: -78.588
Base-Backbone interact. energy: -1.003
local terms energy: -185.433209
where:
bonds (distance) C4'-P energy: -54.443
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -61.241
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: 1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -278.478421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.478421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.478421 (E_RNA)
where:
Base-Base interactions energy: -77.228
where: short stacking energy: -71.228
Base-Backbone interact. energy: 1.795
local terms energy: -203.044997
where:
bonds (distance) C4'-P energy: -65.441
bonds (distance) P-C4' energy: -65.160
flat angles C4'-P-C4' energy: -57.265
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: 14.524
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: 247
Temperature: 1.350000
Total energy: -264.707543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.707543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.707543 (E_RNA)
where:
Base-Base interactions energy: -94.365
where: short stacking energy: -73.948
Base-Backbone interact. energy: -1.986
local terms energy: -168.357142
where:
bonds (distance) C4'-P energy: -58.690
bonds (distance) P-C4' energy: -43.043
flat angles C4'-P-C4' energy: -57.498
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: 3.103
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: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1105.951004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.951004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.951004 (E_RNA)
where:
Base-Base interactions energy: -734.356
where: short stacking energy: -312.273
Base-Backbone interact. energy: -2.516
local terms energy: -369.079075
where:
bonds (distance) C4'-P energy: -64.663
bonds (distance) P-C4' energy: -74.619
flat angles C4'-P-C4' energy: -80.268
flat angles P-C4'-P energy: -47.343
tors. eta vs tors. theta energy: -102.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1084.475941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.475941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.475941 (E_RNA)
where:
Base-Base interactions energy: -720.899
where: short stacking energy: -323.555
Base-Backbone interact. energy: 0.883
local terms energy: -364.459897
where:
bonds (distance) C4'-P energy: -65.565
bonds (distance) P-C4' energy: -65.023
flat angles C4'-P-C4' energy: -78.802
flat angles P-C4'-P energy: -50.678
tors. eta vs tors. theta energy: -104.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1001.225066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.225066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.225066 (E_RNA)
where:
Base-Base interactions energy: -656.862
where: short stacking energy: -269.901
Base-Backbone interact. energy: -2.035
local terms energy: -342.328492
where:
bonds (distance) C4'-P energy: -55.617
bonds (distance) P-C4' energy: -70.563
flat angles C4'-P-C4' energy: -68.786
flat angles P-C4'-P energy: -51.034
tors. eta vs tors. theta energy: -96.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -906.970482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.970482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.970482 (E_RNA)
where:
Base-Base interactions energy: -598.261
where: short stacking energy: -254.553
Base-Backbone interact. energy: -0.118
local terms energy: -308.591847
where:
bonds (distance) C4'-P energy: -54.665
bonds (distance) P-C4' energy: -63.354
flat angles C4'-P-C4' energy: -65.795
flat angles P-C4'-P energy: -46.326
tors. eta vs tors. theta energy: -78.451
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: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -708.432675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.432675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.432675 (E_RNA)
where:
Base-Base interactions energy: -444.623
where: short stacking energy: -194.116
Base-Backbone interact. energy: -0.689
local terms energy: -263.121255
where:
bonds (distance) C4'-P energy: -58.600
bonds (distance) P-C4' energy: -64.662
flat angles C4'-P-C4' energy: -54.238
flat angles P-C4'-P energy: -41.919
tors. eta vs tors. theta energy: -43.702
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: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -634.871414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.871414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.871414 (E_RNA)
where:
Base-Base interactions energy: -396.256
where: short stacking energy: -175.742
Base-Backbone interact. energy: 1.252
local terms energy: -239.867759
where:
bonds (distance) C4'-P energy: -57.284
bonds (distance) P-C4' energy: -54.549
flat angles C4'-P-C4' energy: -61.963
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -37.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -461.969967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.969967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.969967 (E_RNA)
where:
Base-Base interactions energy: -235.014
where: short stacking energy: -136.748
Base-Backbone interact. energy: -1.769
local terms energy: -225.187489
where:
bonds (distance) C4'-P energy: -50.645
bonds (distance) P-C4' energy: -55.265
flat angles C4'-P-C4' energy: -58.960
flat angles P-C4'-P energy: -36.678
tors. eta vs tors. theta energy: -23.640
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: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -319.685275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.685275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.685275 (E_RNA)
where:
Base-Base interactions energy: -132.984
where: short stacking energy: -90.579
Base-Backbone interact. energy: 0.153
local terms energy: -186.854511
where:
bonds (distance) C4'-P energy: -39.604
bonds (distance) P-C4' energy: -73.294
flat angles C4'-P-C4' energy: -51.205
flat angles P-C4'-P energy: -27.039
tors. eta vs tors. theta energy: 4.288
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: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -271.690040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.690040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.690040 (E_RNA)
where:
Base-Base interactions energy: -109.398
where: short stacking energy: -67.987
Base-Backbone interact. energy: -2.581
local terms energy: -159.894256
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -67.284
flat angles C4'-P-C4' energy: -38.779
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: 23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.183 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -268.552227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.552227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.552227 (E_RNA)
where:
Base-Base interactions energy: -98.824
where: short stacking energy: -56.066
Base-Backbone interact. energy: -2.320
local terms energy: -167.408908
where:
bonds (distance) C4'-P energy: -48.746
bonds (distance) P-C4' energy: -52.428
flat angles C4'-P-C4' energy: -52.043
flat angles P-C4'-P energy: -34.959
tors. eta vs tors. theta energy: 20.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1096.109553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.109553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.109553 (E_RNA)
where:
Base-Base interactions energy: -732.454
where: short stacking energy: -309.355
Base-Backbone interact. energy: -0.949
local terms energy: -362.706695
where:
bonds (distance) C4'-P energy: -59.518
bonds (distance) P-C4' energy: -74.583
flat angles C4'-P-C4' energy: -76.177
flat angles P-C4'-P energy: -50.517
tors. eta vs tors. theta energy: -101.912
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: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1082.406607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.406607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.406607 (E_RNA)
where:
Base-Base interactions energy: -733.515
where: short stacking energy: -333.553
Base-Backbone interact. energy: -0.679
local terms energy: -348.213116
where:
bonds (distance) C4'-P energy: -51.871
bonds (distance) P-C4' energy: -63.209
flat angles C4'-P-C4' energy: -70.704
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -118.285
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1013.031667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.031667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.031667 (E_RNA)
where:
Base-Base interactions energy: -679.393
where: short stacking energy: -292.998
Base-Backbone interact. energy: -0.812
local terms energy: -333.117498
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -72.181
flat angles C4'-P-C4' energy: -69.983
flat angles P-C4'-P energy: -49.729
tors. eta vs tors. theta energy: -88.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.291 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -869.081773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.081773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.081773 (E_RNA)
where:
Base-Base interactions energy: -561.417
where: short stacking energy: -251.392
Base-Backbone interact. energy: 0.687
local terms energy: -308.351825
where:
bonds (distance) C4'-P energy: -58.396
bonds (distance) P-C4' energy: -68.051
flat angles C4'-P-C4' energy: -77.084
flat angles P-C4'-P energy: -34.006
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: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -648.681511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.681511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.681511 (E_RNA)
where:
Base-Base interactions energy: -384.217
where: short stacking energy: -187.319
Base-Backbone interact. energy: -2.959
local terms energy: -261.505810
where:
bonds (distance) C4'-P energy: -64.169
bonds (distance) P-C4' energy: -63.073
flat angles C4'-P-C4' energy: -57.003
flat angles P-C4'-P energy: -42.844
tors. eta vs tors. theta energy: -34.417
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: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -607.129975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.129975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.129975 (E_RNA)
where:
Base-Base interactions energy: -363.101
where: short stacking energy: -162.374
Base-Backbone interact. energy: 2.806
local terms energy: -246.834600
where:
bonds (distance) C4'-P energy: -57.135
bonds (distance) P-C4' energy: -62.644
flat angles C4'-P-C4' energy: -66.343
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -35.640
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: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -469.429226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.429226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.429226 (E_RNA)
where:
Base-Base interactions energy: -229.567
where: short stacking energy: -123.864
Base-Backbone interact. energy: -1.368
local terms energy: -239.641735
where:
bonds (distance) C4'-P energy: -62.920
bonds (distance) P-C4' energy: -65.368
flat angles C4'-P-C4' energy: -56.745
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.148 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -302.175584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.175584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.175584 (E_RNA)
where:
Base-Base interactions energy: -103.673
where: short stacking energy: -71.960
Base-Backbone interact. energy: -2.282
local terms energy: -196.220882
where:
bonds (distance) C4'-P energy: -61.440
bonds (distance) P-C4' energy: -61.143
flat angles C4'-P-C4' energy: -66.507
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: 17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -282.166256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.166256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.166256 (E_RNA)
where:
Base-Base interactions energy: -105.729
where: short stacking energy: -68.085
Base-Backbone interact. energy: -0.490
local terms energy: -175.947355
where:
bonds (distance) C4'-P energy: -58.088
bonds (distance) P-C4' energy: -55.622
flat angles C4'-P-C4' energy: -48.548
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: 18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -265.717016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.717016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.717016 (E_RNA)
where:
Base-Base interactions energy: -90.193
where: short stacking energy: -62.203
Base-Backbone interact. energy: 1.370
local terms energy: -176.893760
where:
bonds (distance) C4'-P energy: -44.401
bonds (distance) P-C4' energy: -62.946
flat angles C4'-P-C4' energy: -43.975
flat angles P-C4'-P energy: -32.658
tors. eta vs tors. theta energy: 7.086
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: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1091.236730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.236730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.236730 (E_RNA)
where:
Base-Base interactions energy: -728.376
where: short stacking energy: -296.892
Base-Backbone interact. energy: -2.808
local terms energy: -360.052697
where:
bonds (distance) C4'-P energy: -68.176
bonds (distance) P-C4' energy: -72.173
flat angles C4'-P-C4' energy: -76.207
flat angles P-C4'-P energy: -43.583
tors. eta vs tors. theta energy: -99.914
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: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1058.448878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.448878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.448878 (E_RNA)
where:
Base-Base interactions energy: -696.978
where: short stacking energy: -314.341
Base-Backbone interact. energy: -0.419
local terms energy: -361.052008
where:
bonds (distance) C4'-P energy: -62.299
bonds (distance) P-C4' energy: -64.397
flat angles C4'-P-C4' energy: -72.261
flat angles P-C4'-P energy: -51.385
tors. eta vs tors. theta energy: -110.711
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: 250
Temperature: 1.000000
Total energy: -1005.288564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.288564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.288564 (E_RNA)
where:
Base-Base interactions energy: -666.317
where: short stacking energy: -275.765
Base-Backbone interact. energy: -1.962
local terms energy: -337.009792
where:
bonds (distance) C4'-P energy: -65.273
bonds (distance) P-C4' energy: -70.053
flat angles C4'-P-C4' energy: -69.043
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -86.839
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: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -851.816081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.816081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.816081 (E_RNA)
where:
Base-Base interactions energy: -557.792
where: short stacking energy: -235.064
Base-Backbone interact. energy: -0.638
local terms energy: -293.385657
where:
bonds (distance) C4'-P energy: -68.536
bonds (distance) P-C4' energy: -62.275
flat angles C4'-P-C4' energy: -61.238
flat angles P-C4'-P energy: -36.356
tors. eta vs tors. theta energy: -64.980
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: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -676.013888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.013888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.013888 (E_RNA)
where:
Base-Base interactions energy: -407.032
where: short stacking energy: -192.849
Base-Backbone interact. energy: 1.201
local terms energy: -270.183753
where:
bonds (distance) C4'-P energy: -63.536
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -59.244
flat angles P-C4'-P energy: -43.009
tors. eta vs tors. theta energy: -39.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -625.029925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.029925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.029925 (E_RNA)
where:
Base-Base interactions energy: -384.571
where: short stacking energy: -162.017
Base-Backbone interact. energy: -1.345
local terms energy: -239.114156
where:
bonds (distance) C4'-P energy: -69.595
bonds (distance) P-C4' energy: -48.025
flat angles C4'-P-C4' energy: -54.918
flat angles P-C4'-P energy: -34.402
tors. eta vs tors. theta energy: -32.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -473.504537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.504537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.504537 (E_RNA)
where:
Base-Base interactions energy: -241.328
where: short stacking energy: -128.970
Base-Backbone interact. energy: 2.841
local terms energy: -235.017679
where:
bonds (distance) C4'-P energy: -64.943
bonds (distance) P-C4' energy: -70.981
flat angles C4'-P-C4' energy: -46.952
flat angles P-C4'-P energy: -33.276
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -309.864997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.864997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.864997 (E_RNA)
where:
Base-Base interactions energy: -109.281
where: short stacking energy: -78.512
Base-Backbone interact. energy: -0.726
local terms energy: -199.857664
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -64.917
flat angles C4'-P-C4' energy: -59.593
flat angles P-C4'-P energy: -34.233
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -279.632944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.632944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.632944 (E_RNA)
where:
Base-Base interactions energy: -96.458
where: short stacking energy: -76.200
Base-Backbone interact. energy: 5.398
local terms energy: -188.573372
where:
bonds (distance) C4'-P energy: -44.901
bonds (distance) P-C4' energy: -61.190
flat angles C4'-P-C4' energy: -55.192
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: 4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -264.860250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.860250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.860250 (E_RNA)
where:
Base-Base interactions energy: -97.825
where: short stacking energy: -61.913
Base-Backbone interact. energy: 6.157
local terms energy: -174.651076
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -44.919
flat angles C4'-P-C4' energy: -47.188
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: 6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.459 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1118.468644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.468644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.468644 (E_RNA)
where:
Base-Base interactions energy: -754.236
where: short stacking energy: -289.675
Base-Backbone interact. energy: -3.296
local terms energy: -360.937271
where:
bonds (distance) C4'-P energy: -59.658
bonds (distance) P-C4' energy: -76.046
flat angles C4'-P-C4' energy: -73.090
flat angles P-C4'-P energy: -50.302
tors. eta vs tors. theta energy: -101.842
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: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1065.021075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.021075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.021075 (E_RNA)
where:
Base-Base interactions energy: -711.466
where: short stacking energy: -307.166
Base-Backbone interact. energy: 1.082
local terms energy: -354.636993
where:
bonds (distance) C4'-P energy: -74.291
bonds (distance) P-C4' energy: -67.714
flat angles C4'-P-C4' energy: -66.647
flat angles P-C4'-P energy: -45.691
tors. eta vs tors. theta energy: -100.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1009.106476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.106476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.106476 (E_RNA)
where:
Base-Base interactions energy: -666.606
where: short stacking energy: -277.438
Base-Backbone interact. energy: 3.397
local terms energy: -345.897435
where:
bonds (distance) C4'-P energy: -68.208
bonds (distance) P-C4' energy: -62.892
flat angles C4'-P-C4' energy: -67.888
flat angles P-C4'-P energy: -48.159
tors. eta vs tors. theta energy: -98.751
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: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -874.957542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.957542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.957542 (E_RNA)
where:
Base-Base interactions energy: -548.510
where: short stacking energy: -234.866
Base-Backbone interact. energy: -0.545
local terms energy: -325.902635
where:
bonds (distance) C4'-P energy: -56.274
bonds (distance) P-C4' energy: -65.968
flat angles C4'-P-C4' energy: -71.985
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -85.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -670.375067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.375067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.375067 (E_RNA)
where:
Base-Base interactions energy: -398.419
where: short stacking energy: -165.614
Base-Backbone interact. energy: 0.421
local terms energy: -272.376973
where:
bonds (distance) C4'-P energy: -60.377
bonds (distance) P-C4' energy: -65.981
flat angles C4'-P-C4' energy: -66.030
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: -40.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -525.286679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.286679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.286679 (E_RNA)
where:
Base-Base interactions energy: -299.901
where: short stacking energy: -127.322
Base-Backbone interact. energy: -1.771
local terms energy: -223.615496
where:
bonds (distance) C4'-P energy: -49.025
bonds (distance) P-C4' energy: -63.174
flat angles C4'-P-C4' energy: -51.807
flat angles P-C4'-P energy: -34.663
tors. eta vs tors. theta energy: -24.947
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: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -534.059618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.059618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.059618 (E_RNA)
where:
Base-Base interactions energy: -284.250
where: short stacking energy: -137.561
Base-Backbone interact. energy: 0.425
local terms energy: -250.234624
where:
bonds (distance) C4'-P energy: -62.881
bonds (distance) P-C4' energy: -63.461
flat angles C4'-P-C4' energy: -52.482
flat angles P-C4'-P energy: -43.711
tors. eta vs tors. theta energy: -27.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -338.438659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.438659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.438659 (E_RNA)
where:
Base-Base interactions energy: -120.804
where: short stacking energy: -82.175
Base-Backbone interact. energy: -0.466
local terms energy: -217.168075
where:
bonds (distance) C4'-P energy: -62.211
bonds (distance) P-C4' energy: -64.342
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -2.007
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: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -291.338621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.338621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.338621 (E_RNA)
where:
Base-Base interactions energy: -102.587
where: short stacking energy: -88.992
Base-Backbone interact. energy: -1.672
local terms energy: -187.079942
where:
bonds (distance) C4'-P energy: -59.661
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -47.082
flat angles P-C4'-P energy: -32.318
tors. eta vs tors. theta energy: 10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -268.166208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.166208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.166208 (E_RNA)
where:
Base-Base interactions energy: -90.349
where: short stacking energy: -80.402
Base-Backbone interact. energy: 0.439
local terms energy: -178.255807
where:
bonds (distance) C4'-P energy: -53.858
bonds (distance) P-C4' energy: -56.794
flat angles C4'-P-C4' energy: -43.678
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: 4.536
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: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1098.372002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.372002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.372002 (E_RNA)
where:
Base-Base interactions energy: -747.829
where: short stacking energy: -289.810
Base-Backbone interact. energy: 0.216
local terms energy: -350.758839
where:
bonds (distance) C4'-P energy: -61.894
bonds (distance) P-C4' energy: -72.645
flat angles C4'-P-C4' energy: -68.755
flat angles P-C4'-P energy: -54.809
tors. eta vs tors. theta energy: -92.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1068.775142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.775142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.775142 (E_RNA)
where:
Base-Base interactions energy: -713.636
where: short stacking energy: -343.723
Base-Backbone interact. energy: -0.804
local terms energy: -354.334932
where:
bonds (distance) C4'-P energy: -69.433
bonds (distance) P-C4' energy: -55.780
flat angles C4'-P-C4' energy: -70.830
flat angles P-C4'-P energy: -45.237
tors. eta vs tors. theta energy: -113.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1048.054637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.054637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.054637 (E_RNA)
where:
Base-Base interactions energy: -702.414
where: short stacking energy: -305.991
Base-Backbone interact. energy: -1.294
local terms energy: -344.346841
where:
bonds (distance) C4'-P energy: -57.705
bonds (distance) P-C4' energy: -69.361
flat angles C4'-P-C4' energy: -72.249
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -100.218
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: 252
Temperature: 1.050000
Total energy: -879.189154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.189154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.189154 (E_RNA)
where:
Base-Base interactions energy: -567.916
where: short stacking energy: -254.383
Base-Backbone interact. energy: -1.141
local terms energy: -310.131981
where:
bonds (distance) C4'-P energy: -54.773
bonds (distance) P-C4' energy: -64.969
flat angles C4'-P-C4' energy: -68.161
flat angles P-C4'-P energy: -42.323
tors. eta vs tors. theta energy: -79.905
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: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -690.817586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.817586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.817586 (E_RNA)
where:
Base-Base interactions energy: -417.623
where: short stacking energy: -184.656
Base-Backbone interact. energy: -1.960
local terms energy: -271.235191
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -60.615
flat angles C4'-P-C4' energy: -63.049
flat angles P-C4'-P energy: -52.019
tors. eta vs tors. theta energy: -48.266
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: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -547.771045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.771045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.771045 (E_RNA)
where:
Base-Base interactions energy: -284.948
where: short stacking energy: -146.638
Base-Backbone interact. energy: 0.822
local terms energy: -263.645719
where:
bonds (distance) C4'-P energy: -69.440
bonds (distance) P-C4' energy: -63.949
flat angles C4'-P-C4' energy: -67.516
flat angles P-C4'-P energy: -36.265
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: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -500.381679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.381679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.381679 (E_RNA)
where:
Base-Base interactions energy: -253.594
where: short stacking energy: -119.146
Base-Backbone interact. energy: -1.651
local terms energy: -245.136644
where:
bonds (distance) C4'-P energy: -61.229
bonds (distance) P-C4' energy: -67.812
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -421.281740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.281740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.281740 (E_RNA)
where:
Base-Base interactions energy: -206.734
where: short stacking energy: -106.102
Base-Backbone interact. energy: -0.070
local terms energy: -214.478295
where:
bonds (distance) C4'-P energy: -55.841
bonds (distance) P-C4' energy: -65.494
flat angles C4'-P-C4' energy: -56.142
flat angles P-C4'-P energy: -33.199
tors. eta vs tors. theta energy: -3.802
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: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -265.207954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.207954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.207954 (E_RNA)
where:
Base-Base interactions energy: -89.520
where: short stacking energy: -73.907
Base-Backbone interact. energy: 0.904
local terms energy: -176.592092
where:
bonds (distance) C4'-P energy: -57.473
bonds (distance) P-C4' energy: -58.376
flat angles C4'-P-C4' energy: -38.602
flat angles P-C4'-P energy: -33.501
tors. eta vs tors. theta energy: 11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -268.967844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.967844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.967844 (E_RNA)
where:
Base-Base interactions energy: -91.366
where: short stacking energy: -79.739
Base-Backbone interact. energy: -0.071
local terms energy: -177.530248
where:
bonds (distance) C4'-P energy: -52.247
bonds (distance) P-C4' energy: -53.392
flat angles C4'-P-C4' energy: -49.052
flat angles P-C4'-P energy: -36.560
tors. eta vs tors. theta energy: 13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1113.847524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.847524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.847524 (E_RNA)
where:
Base-Base interactions energy: -763.194
where: short stacking energy: -303.435
Base-Backbone interact. energy: -2.153
local terms energy: -348.501143
where:
bonds (distance) C4'-P energy: -52.559
bonds (distance) P-C4' energy: -74.053
flat angles C4'-P-C4' energy: -72.359
flat angles P-C4'-P energy: -46.440
tors. eta vs tors. theta energy: -103.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1069.831557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.831557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.831557 (E_RNA)
where:
Base-Base interactions energy: -700.778
where: short stacking energy: -322.818
Base-Backbone interact. energy: 0.703
local terms energy: -369.755951
where:
bonds (distance) C4'-P energy: -68.085
bonds (distance) P-C4' energy: -68.837
flat angles C4'-P-C4' energy: -73.201
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -115.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1017.519113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.519113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.519113 (E_RNA)
where:
Base-Base interactions energy: -685.570
where: short stacking energy: -289.029
Base-Backbone interact. energy: -1.086
local terms energy: -330.862940
where:
bonds (distance) C4'-P energy: -69.840
bonds (distance) P-C4' energy: -65.674
flat angles C4'-P-C4' energy: -59.178
flat angles P-C4'-P energy: -45.956
tors. eta vs tors. theta energy: -90.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -908.100452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.100452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.100452 (E_RNA)
where:
Base-Base interactions energy: -587.967
where: short stacking energy: -248.690
Base-Backbone interact. energy: -0.569
local terms energy: -319.564200
where:
bonds (distance) C4'-P energy: -57.539
bonds (distance) P-C4' energy: -65.684
flat angles C4'-P-C4' energy: -71.146
flat angles P-C4'-P energy: -40.780
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: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -599.542080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.542080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.542080 (E_RNA)
where:
Base-Base interactions energy: -346.548
where: short stacking energy: -177.877
Base-Backbone interact. energy: 0.400
local terms energy: -253.393680
where:
bonds (distance) C4'-P energy: -52.104
bonds (distance) P-C4' energy: -61.188
flat angles C4'-P-C4' energy: -70.032
flat angles P-C4'-P energy: -38.573
tors. eta vs tors. theta energy: -31.498
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: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -581.961420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.961420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.961420 (E_RNA)
where:
Base-Base interactions energy: -318.699
where: short stacking energy: -157.371
Base-Backbone interact. energy: -1.281
local terms energy: -261.981503
where:
bonds (distance) C4'-P energy: -58.796
bonds (distance) P-C4' energy: -72.161
flat angles C4'-P-C4' energy: -44.713
flat angles P-C4'-P energy: -41.831
tors. eta vs tors. theta energy: -44.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -442.674697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.674697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.674697 (E_RNA)
where:
Base-Base interactions energy: -229.133
where: short stacking energy: -110.344
Base-Backbone interact. energy: 0.651
local terms energy: -214.193104
where:
bonds (distance) C4'-P energy: -53.870
bonds (distance) P-C4' energy: -51.434
flat angles C4'-P-C4' energy: -54.108
flat angles P-C4'-P energy: -37.144
tors. eta vs tors. theta energy: -17.637
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: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -306.775859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.775859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.775859 (E_RNA)
where:
Base-Base interactions energy: -111.503
where: short stacking energy: -88.190
Base-Backbone interact. energy: 1.324
local terms energy: -196.596500
where:
bonds (distance) C4'-P energy: -46.616
bonds (distance) P-C4' energy: -61.234
flat angles C4'-P-C4' energy: -49.314
flat angles P-C4'-P energy: -42.023
tors. eta vs tors. theta energy: 2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -283.274005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.274005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.274005 (E_RNA)
where:
Base-Base interactions energy: -115.320
where: short stacking energy: -83.305
Base-Backbone interact. energy: 0.485
local terms energy: -168.438998
where:
bonds (distance) C4'-P energy: -53.354
bonds (distance) P-C4' energy: -48.534
flat angles C4'-P-C4' energy: -41.359
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -5.336
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: 253
Temperature: 1.350000
Total energy: -263.168324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.168324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.168324 (E_RNA)
where:
Base-Base interactions energy: -93.354
where: short stacking energy: -74.749
Base-Backbone interact. energy: -1.930
local terms energy: -167.884273
where:
bonds (distance) C4'-P energy: -51.841
bonds (distance) P-C4' energy: -50.607
flat angles C4'-P-C4' energy: -43.482
flat angles P-C4'-P energy: -27.412
tors. eta vs tors. theta energy: 5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1102.401289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.401289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.401289 (E_RNA)
where:
Base-Base interactions energy: -745.836
where: short stacking energy: -291.829
Base-Backbone interact. energy: -1.543
local terms energy: -355.022309
where:
bonds (distance) C4'-P energy: -63.739
bonds (distance) P-C4' energy: -62.257
flat angles C4'-P-C4' energy: -79.711
flat angles P-C4'-P energy: -51.254
tors. eta vs tors. theta energy: -98.061
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: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1047.343795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.343795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.343795 (E_RNA)
where:
Base-Base interactions energy: -681.408
where: short stacking energy: -295.017
Base-Backbone interact. energy: 0.976
local terms energy: -366.911667
where:
bonds (distance) C4'-P energy: -66.492
bonds (distance) P-C4' energy: -67.320
flat angles C4'-P-C4' energy: -79.793
flat angles P-C4'-P energy: -55.665
tors. eta vs tors. theta energy: -97.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1009.439943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.439943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.439943 (E_RNA)
where:
Base-Base interactions energy: -686.771
where: short stacking energy: -295.897
Base-Backbone interact. energy: -1.494
local terms energy: -321.175241
where:
bonds (distance) C4'-P energy: -58.492
bonds (distance) P-C4' energy: -64.592
flat angles C4'-P-C4' energy: -63.497
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -93.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -880.223817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.223817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.223817 (E_RNA)
where:
Base-Base interactions energy: -575.023
where: short stacking energy: -239.504
Base-Backbone interact. energy: 0.105
local terms energy: -305.306106
where:
bonds (distance) C4'-P energy: -52.738
bonds (distance) P-C4' energy: -56.417
flat angles C4'-P-C4' energy: -70.971
flat angles P-C4'-P energy: -47.665
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: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -642.128566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.128566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.128566 (E_RNA)
where:
Base-Base interactions energy: -376.673
where: short stacking energy: -188.652
Base-Backbone interact. energy: -0.491
local terms energy: -264.964839
where:
bonds (distance) C4'-P energy: -43.552
bonds (distance) P-C4' energy: -53.917
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -44.243
tors. eta vs tors. theta energy: -51.090
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: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -581.220177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.220177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.220177 (E_RNA)
where:
Base-Base interactions energy: -340.603
where: short stacking energy: -145.101
Base-Backbone interact. energy: -1.045
local terms energy: -239.572147
where:
bonds (distance) C4'-P energy: -69.943
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -53.568
flat angles P-C4'-P energy: -39.658
tors. eta vs tors. theta energy: -27.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -465.405177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.405177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.405177 (E_RNA)
where:
Base-Base interactions energy: -241.135
where: short stacking energy: -124.084
Base-Backbone interact. energy: 1.986
local terms energy: -226.256463
where:
bonds (distance) C4'-P energy: -53.652
bonds (distance) P-C4' energy: -57.556
flat angles C4'-P-C4' energy: -49.341
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: -25.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -313.594612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.594612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.594612 (E_RNA)
where:
Base-Base interactions energy: -122.434
where: short stacking energy: -66.048
Base-Backbone interact. energy: 0.086
local terms energy: -191.246924
where:
bonds (distance) C4'-P energy: -62.575
bonds (distance) P-C4' energy: -58.352
flat angles C4'-P-C4' energy: -58.560
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: 16.854
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: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -272.742964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.742964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.742964 (E_RNA)
where:
Base-Base interactions energy: -96.384
where: short stacking energy: -74.528
Base-Backbone interact. energy: -1.418
local terms energy: -174.940220
where:
bonds (distance) C4'-P energy: -54.493
bonds (distance) P-C4' energy: -54.540
flat angles C4'-P-C4' energy: -50.085
flat angles P-C4'-P energy: -19.415
tors. eta vs tors. theta energy: 3.593
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: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -258.431158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.431158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.431158 (E_RNA)
where:
Base-Base interactions energy: -93.114
where: short stacking energy: -74.102
Base-Backbone interact. energy: -0.502
local terms energy: -164.814681
where:
bonds (distance) C4'-P energy: -46.940
bonds (distance) P-C4' energy: -61.894
flat angles C4'-P-C4' energy: -50.543
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: 14.319
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: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1122.262787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.262787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.262787 (E_RNA)
where:
Base-Base interactions energy: -756.614
where: short stacking energy: -301.444
Base-Backbone interact. energy: -0.976
local terms energy: -364.672808
where:
bonds (distance) C4'-P energy: -74.966
bonds (distance) P-C4' energy: -67.716
flat angles C4'-P-C4' energy: -76.920
flat angles P-C4'-P energy: -45.926
tors. eta vs tors. theta energy: -99.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1026.630575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.630575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.630575 (E_RNA)
where:
Base-Base interactions energy: -679.466
where: short stacking energy: -284.292
Base-Backbone interact. energy: -1.195
local terms energy: -345.969948
where:
bonds (distance) C4'-P energy: -66.646
bonds (distance) P-C4' energy: -66.082
flat angles C4'-P-C4' energy: -70.701
flat angles P-C4'-P energy: -47.083
tors. eta vs tors. theta energy: -95.457
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: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1021.988890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.988890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.988890 (E_RNA)
where:
Base-Base interactions energy: -681.571
where: short stacking energy: -287.994
Base-Backbone interact. energy: -0.593
local terms energy: -339.825419
where:
bonds (distance) C4'-P energy: -67.251
bonds (distance) P-C4' energy: -66.742
flat angles C4'-P-C4' energy: -73.106
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: -91.203
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: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -922.265075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.265075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.265075 (E_RNA)
where:
Base-Base interactions energy: -596.823
where: short stacking energy: -247.523
Base-Backbone interact. energy: -0.278
local terms energy: -325.163169
where:
bonds (distance) C4'-P energy: -71.967
bonds (distance) P-C4' energy: -57.148
flat angles C4'-P-C4' energy: -63.612
flat angles P-C4'-P energy: -51.037
tors. eta vs tors. theta energy: -81.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -663.023584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.023584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.023584 (E_RNA)
where:
Base-Base interactions energy: -388.436
where: short stacking energy: -190.082
Base-Backbone interact. energy: -2.240
local terms energy: -272.347856
where:
bonds (distance) C4'-P energy: -53.195
bonds (distance) P-C4' energy: -71.558
flat angles C4'-P-C4' energy: -56.448
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -55.388
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: 255
Temperature: 1.150000
Total energy: -574.696173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.696173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.696173 (E_RNA)
where:
Base-Base interactions energy: -323.999
where: short stacking energy: -160.537
Base-Backbone interact. energy: 4.547
local terms energy: -255.244471
where:
bonds (distance) C4'-P energy: -48.524
bonds (distance) P-C4' energy: -76.679
flat angles C4'-P-C4' energy: -64.326
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: -34.294
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: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -499.783436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.783436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.783436 (E_RNA)
where:
Base-Base interactions energy: -278.250
where: short stacking energy: -111.975
Base-Backbone interact. energy: -0.942
local terms energy: -220.591722
where:
bonds (distance) C4'-P energy: -60.057
bonds (distance) P-C4' energy: -61.263
flat angles C4'-P-C4' energy: -52.681
flat angles P-C4'-P energy: -31.117
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -287.144849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.144849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.144849 (E_RNA)
where:
Base-Base interactions energy: -95.751
where: short stacking energy: -73.312
Base-Backbone interact. energy: 1.697
local terms energy: -193.091680
where:
bonds (distance) C4'-P energy: -62.662
bonds (distance) P-C4' energy: -63.488
flat angles C4'-P-C4' energy: -42.832
flat angles P-C4'-P energy: -33.424
tors. eta vs tors. theta energy: 9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -280.163778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.163778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.163778 (E_RNA)
where:
Base-Base interactions energy: -102.157
where: short stacking energy: -63.796
Base-Backbone interact. energy: 0.707
local terms energy: -178.713714
where:
bonds (distance) C4'-P energy: -61.125
bonds (distance) P-C4' energy: -57.962
flat angles C4'-P-C4' energy: -39.905
flat angles P-C4'-P energy: -34.388
tors. eta vs tors. theta energy: 14.666
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: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -273.034318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.034318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.034318 (E_RNA)
where:
Base-Base interactions energy: -85.317
where: short stacking energy: -63.263
Base-Backbone interact. energy: 5.373
local terms energy: -193.090393
where:
bonds (distance) C4'-P energy: -54.744
bonds (distance) P-C4' energy: -56.818
flat angles C4'-P-C4' energy: -54.571
flat angles P-C4'-P energy: -41.570
tors. eta vs tors. theta energy: 14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1121.840824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.840824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.840824 (E_RNA)
where:
Base-Base interactions energy: -756.682
where: short stacking energy: -296.471
Base-Backbone interact. energy: -3.604
local terms energy: -361.554520
where:
bonds (distance) C4'-P energy: -64.636
bonds (distance) P-C4' energy: -71.301
flat angles C4'-P-C4' energy: -72.372
flat angles P-C4'-P energy: -53.842
tors. eta vs tors. theta energy: -99.403
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: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1067.772083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.772083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.772083 (E_RNA)
where:
Base-Base interactions energy: -708.135
where: short stacking energy: -305.665
Base-Backbone interact. energy: -0.641
local terms energy: -358.996117
where:
bonds (distance) C4'-P energy: -63.979
bonds (distance) P-C4' energy: -61.270
flat angles C4'-P-C4' energy: -77.616
flat angles P-C4'-P energy: -53.575
tors. eta vs tors. theta energy: -102.555
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: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -981.067990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.067990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.067990 (E_RNA)
where:
Base-Base interactions energy: -661.744
where: short stacking energy: -292.655
Base-Backbone interact. energy: -0.476
local terms energy: -318.848635
where:
bonds (distance) C4'-P energy: -61.250
bonds (distance) P-C4' energy: -68.779
flat angles C4'-P-C4' energy: -66.336
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -88.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -865.746341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.746341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.746341 (E_RNA)
where:
Base-Base interactions energy: -570.011
where: short stacking energy: -204.539
Base-Backbone interact. energy: 1.722
local terms energy: -297.457097
where:
bonds (distance) C4'-P energy: -64.111
bonds (distance) P-C4' energy: -56.370
flat angles C4'-P-C4' energy: -76.247
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -59.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -670.420317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.420317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.420317 (E_RNA)
where:
Base-Base interactions energy: -394.184
where: short stacking energy: -202.951
Base-Backbone interact. energy: 1.286
local terms energy: -277.522594
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -62.897
flat angles C4'-P-C4' energy: -70.229
flat angles P-C4'-P energy: -40.691
tors. eta vs tors. theta energy: -48.299
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: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -589.893751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.893751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.893751 (E_RNA)
where:
Base-Base interactions energy: -336.442
where: short stacking energy: -163.416
Base-Backbone interact. energy: 0.281
local terms energy: -253.733208
where:
bonds (distance) C4'-P energy: -66.927
bonds (distance) P-C4' energy: -59.466
flat angles C4'-P-C4' energy: -62.570
flat angles P-C4'-P energy: -28.973
tors. eta vs tors. theta energy: -35.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -482.190554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.190554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.190554 (E_RNA)
where:
Base-Base interactions energy: -255.806
where: short stacking energy: -138.762
Base-Backbone interact. energy: 0.618
local terms energy: -227.002189
where:
bonds (distance) C4'-P energy: -58.789
bonds (distance) P-C4' energy: -56.185
flat angles C4'-P-C4' energy: -52.289
flat angles P-C4'-P energy: -36.943
tors. eta vs tors. theta energy: -22.797
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: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -297.368192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.368192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.368192 (E_RNA)
where:
Base-Base interactions energy: -105.689
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.347
local terms energy: -191.642558
where:
bonds (distance) C4'-P energy: -42.693
bonds (distance) P-C4' energy: -53.881
flat angles C4'-P-C4' energy: -56.686
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: 2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.311 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -286.103160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.103160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.103160 (E_RNA)
where:
Base-Base interactions energy: -107.270
where: short stacking energy: -87.589
Base-Backbone interact. energy: 2.459
local terms energy: -181.292408
where:
bonds (distance) C4'-P energy: -54.149
bonds (distance) P-C4' energy: -64.525
flat angles C4'-P-C4' energy: -51.525
flat angles P-C4'-P energy: -23.902
tors. eta vs tors. theta energy: 12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -257.938646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.938646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.938646 (E_RNA)
where:
Base-Base interactions energy: -70.764
where: short stacking energy: -52.814
Base-Backbone interact. energy: 1.778
local terms energy: -188.952678
where:
bonds (distance) C4'-P energy: -61.223
bonds (distance) P-C4' energy: -61.242
flat angles C4'-P-C4' energy: -54.139
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: 12.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1103.191808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.191808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.191808 (E_RNA)
where:
Base-Base interactions energy: -753.258
where: short stacking energy: -302.078
Base-Backbone interact. energy: -0.505
local terms energy: -349.428830
where:
bonds (distance) C4'-P energy: -63.762
bonds (distance) P-C4' energy: -69.156
flat angles C4'-P-C4' energy: -71.424
flat angles P-C4'-P energy: -41.933
tors. eta vs tors. theta energy: -103.153
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: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1023.289281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.289281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.289281 (E_RNA)
where:
Base-Base interactions energy: -665.125
where: short stacking energy: -295.203
Base-Backbone interact. energy: 0.138
local terms energy: -358.302923
where:
bonds (distance) C4'-P energy: -69.047
bonds (distance) P-C4' energy: -68.646
flat angles C4'-P-C4' energy: -73.545
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: -100.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -990.548271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.548271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.548271 (E_RNA)
where:
Base-Base interactions energy: -673.181
where: short stacking energy: -274.581
Base-Backbone interact. energy: -0.630
local terms energy: -316.737604
where:
bonds (distance) C4'-P energy: -58.168
bonds (distance) P-C4' energy: -66.446
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -51.733
tors. eta vs tors. theta energy: -79.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -880.453929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.453929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.453929 (E_RNA)
where:
Base-Base interactions energy: -576.708
where: short stacking energy: -230.871
Base-Backbone interact. energy: -1.173
local terms energy: -302.572610
where:
bonds (distance) C4'-P energy: -62.027
bonds (distance) P-C4' energy: -55.976
flat angles C4'-P-C4' energy: -62.782
flat angles P-C4'-P energy: -47.870
tors. eta vs tors. theta energy: -73.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -719.328570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.328570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.328570 (E_RNA)
where:
Base-Base interactions energy: -429.501
where: short stacking energy: -192.647
Base-Backbone interact. energy: 1.119
local terms energy: -290.946357
where:
bonds (distance) C4'-P energy: -66.976
bonds (distance) P-C4' energy: -63.841
flat angles C4'-P-C4' energy: -71.506
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -50.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -579.118200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.118200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.118200 (E_RNA)
where:
Base-Base interactions energy: -345.594
where: short stacking energy: -141.081
Base-Backbone interact. energy: -2.258
local terms energy: -231.265849
where:
bonds (distance) C4'-P energy: -57.909
bonds (distance) P-C4' energy: -55.697
flat angles C4'-P-C4' energy: -61.629
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -25.115
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: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -464.511020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.511020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.511020 (E_RNA)
where:
Base-Base interactions energy: -253.800
where: short stacking energy: -112.709
Base-Backbone interact. energy: 2.015
local terms energy: -212.726792
where:
bonds (distance) C4'-P energy: -61.006
bonds (distance) P-C4' energy: -54.006
flat angles C4'-P-C4' energy: -52.044
flat angles P-C4'-P energy: -41.256
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -305.368894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.368894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.368894 (E_RNA)
where:
Base-Base interactions energy: -114.489
where: short stacking energy: -77.955
Base-Backbone interact. energy: -0.912
local terms energy: -189.968225
where:
bonds (distance) C4'-P energy: -62.624
bonds (distance) P-C4' energy: -62.334
flat angles C4'-P-C4' energy: -49.159
flat angles P-C4'-P energy: -33.798
tors. eta vs tors. theta energy: 17.946
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: 257
Temperature: 1.300000
Total energy: -268.651346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.651346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.651346 (E_RNA)
where:
Base-Base interactions energy: -79.004
where: short stacking energy: -75.925
Base-Backbone interact. energy: 4.534
local terms energy: -194.182060
where:
bonds (distance) C4'-P energy: -59.501
bonds (distance) P-C4' energy: -57.092
flat angles C4'-P-C4' energy: -52.763
flat angles P-C4'-P energy: -28.534
tors. eta vs tors. theta energy: 3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -269.254518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.254518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.254518 (E_RNA)
where:
Base-Base interactions energy: -102.053
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.559
local terms energy: -166.642743
where:
bonds (distance) C4'-P energy: -47.002
bonds (distance) P-C4' energy: -52.308
flat angles C4'-P-C4' energy: -52.392
flat angles P-C4'-P energy: -28.932
tors. eta vs tors. theta energy: 13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1111.877645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.877645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.877645 (E_RNA)
where:
Base-Base interactions energy: -761.320
where: short stacking energy: -289.124
Base-Backbone interact. energy: -1.613
local terms energy: -348.944703
where:
bonds (distance) C4'-P energy: -67.901
bonds (distance) P-C4' energy: -74.471
flat angles C4'-P-C4' energy: -68.151
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -91.893
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: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1057.860819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.860819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.860819 (E_RNA)
where:
Base-Base interactions energy: -698.714
where: short stacking energy: -314.740
Base-Backbone interact. energy: 0.397
local terms energy: -359.543671
where:
bonds (distance) C4'-P energy: -65.702
bonds (distance) P-C4' energy: -72.208
flat angles C4'-P-C4' energy: -67.288
flat angles P-C4'-P energy: -47.775
tors. eta vs tors. theta energy: -106.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1003.914700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.914700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.914700 (E_RNA)
where:
Base-Base interactions energy: -673.722
where: short stacking energy: -272.251
Base-Backbone interact. energy: 3.251
local terms energy: -333.444329
where:
bonds (distance) C4'-P energy: -68.361
bonds (distance) P-C4' energy: -68.515
flat angles C4'-P-C4' energy: -72.285
flat angles P-C4'-P energy: -38.239
tors. eta vs tors. theta energy: -86.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -895.126051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.126051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.126051 (E_RNA)
where:
Base-Base interactions energy: -571.905
where: short stacking energy: -221.921
Base-Backbone interact. energy: 0.595
local terms energy: -323.816163
where:
bonds (distance) C4'-P energy: -62.985
bonds (distance) P-C4' energy: -69.555
flat angles C4'-P-C4' energy: -65.520
flat angles P-C4'-P energy: -49.287
tors. eta vs tors. theta energy: -76.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -728.740972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.740972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.740972 (E_RNA)
where:
Base-Base interactions energy: -439.223
where: short stacking energy: -215.010
Base-Backbone interact. energy: -0.810
local terms energy: -288.707403
where:
bonds (distance) C4'-P energy: -59.460
bonds (distance) P-C4' energy: -62.283
flat angles C4'-P-C4' energy: -71.788
flat angles P-C4'-P energy: -39.710
tors. eta vs tors. theta energy: -55.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -564.633182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.633182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.633182 (E_RNA)
where:
Base-Base interactions energy: -329.699
where: short stacking energy: -150.249
Base-Backbone interact. energy: 0.082
local terms energy: -235.016014
where:
bonds (distance) C4'-P energy: -56.795
bonds (distance) P-C4' energy: -68.487
flat angles C4'-P-C4' energy: -58.995
flat angles P-C4'-P energy: -33.446
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -324.898393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.898393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.898393 (E_RNA)
where:
Base-Base interactions energy: -123.145
where: short stacking energy: -85.187
Base-Backbone interact. energy: -1.464
local terms energy: -201.437608
where:
bonds (distance) C4'-P energy: -53.952
bonds (distance) P-C4' energy: -60.975
flat angles C4'-P-C4' energy: -52.286
flat angles P-C4'-P energy: -33.882
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.148 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -416.337907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.337907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.337907 (E_RNA)
where:
Base-Base interactions energy: -183.098
where: short stacking energy: -87.285
Base-Backbone interact. energy: -1.306
local terms energy: -231.933369
where:
bonds (distance) C4'-P energy: -66.761
bonds (distance) P-C4' energy: -65.968
flat angles C4'-P-C4' energy: -57.024
flat angles P-C4'-P energy: -34.202
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -300.991117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.991117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.991117 (E_RNA)
where:
Base-Base interactions energy: -105.505
where: short stacking energy: -78.767
Base-Backbone interact. energy: 3.876
local terms energy: -199.361327
where:
bonds (distance) C4'-P energy: -55.941
bonds (distance) P-C4' energy: -72.821
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: 1.264
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: 258
Temperature: 1.350000
Total energy: -266.962748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.962748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.962748 (E_RNA)
where:
Base-Base interactions energy: -79.049
where: short stacking energy: -59.786
Base-Backbone interact. energy: -1.288
local terms energy: -186.626347
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -63.827
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: 11.699
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: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1110.328400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.328400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.328400 (E_RNA)
where:
Base-Base interactions energy: -760.693
where: short stacking energy: -301.879
Base-Backbone interact. energy: -1.869
local terms energy: -347.766107
where:
bonds (distance) C4'-P energy: -66.203
bonds (distance) P-C4' energy: -68.786
flat angles C4'-P-C4' energy: -69.125
flat angles P-C4'-P energy: -41.755
tors. eta vs tors. theta energy: -101.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1043.599981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.599981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.599981 (E_RNA)
where:
Base-Base interactions energy: -698.276
where: short stacking energy: -300.088
Base-Backbone interact. energy: -1.978
local terms energy: -343.345438
where:
bonds (distance) C4'-P energy: -59.437
bonds (distance) P-C4' energy: -64.943
flat angles C4'-P-C4' energy: -72.368
flat angles P-C4'-P energy: -47.474
tors. eta vs tors. theta energy: -99.123
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: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1014.936041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.936041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.936041 (E_RNA)
where:
Base-Base interactions energy: -654.966
where: short stacking energy: -288.417
Base-Backbone interact. energy: -0.368
local terms energy: -359.601382
where:
bonds (distance) C4'-P energy: -67.240
bonds (distance) P-C4' energy: -64.517
flat angles C4'-P-C4' energy: -75.312
flat angles P-C4'-P energy: -49.100
tors. eta vs tors. theta energy: -103.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -888.615673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.615673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.615673 (E_RNA)
where:
Base-Base interactions energy: -588.044
where: short stacking energy: -252.096
Base-Backbone interact. energy: 0.943
local terms energy: -301.514160
where:
bonds (distance) C4'-P energy: -59.392
bonds (distance) P-C4' energy: -52.057
flat angles C4'-P-C4' energy: -73.140
flat angles P-C4'-P energy: -43.645
tors. eta vs tors. theta energy: -73.280
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: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -709.745511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.745511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.745511 (E_RNA)
where:
Base-Base interactions energy: -422.503
where: short stacking energy: -208.335
Base-Backbone interact. energy: -0.428
local terms energy: -286.815042
where:
bonds (distance) C4'-P energy: -53.674
bonds (distance) P-C4' energy: -62.638
flat angles C4'-P-C4' energy: -67.648
flat angles P-C4'-P energy: -44.381
tors. eta vs tors. theta energy: -58.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -627.852390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.852390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.852390 (E_RNA)
where:
Base-Base interactions energy: -369.109
where: short stacking energy: -189.352
Base-Backbone interact. energy: -1.122
local terms energy: -257.621160
where:
bonds (distance) C4'-P energy: -58.993
bonds (distance) P-C4' energy: -59.683
flat angles C4'-P-C4' energy: -55.075
flat angles P-C4'-P energy: -39.317
tors. eta vs tors. theta energy: -44.553
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: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -351.768351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.768351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.768351 (E_RNA)
where:
Base-Base interactions energy: -139.653
where: short stacking energy: -110.819
Base-Backbone interact. energy: 0.649
local terms energy: -212.763769
where:
bonds (distance) C4'-P energy: -56.223
bonds (distance) P-C4' energy: -63.959
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -25.779
tors. eta vs tors. theta energy: -9.610
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: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -346.072127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.072127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.072127 (E_RNA)
where:
Base-Base interactions energy: -155.926
where: short stacking energy: -80.608
Base-Backbone interact. energy: -0.929
local terms energy: -189.217594
where:
bonds (distance) C4'-P energy: -58.370
bonds (distance) P-C4' energy: -58.276
flat angles C4'-P-C4' energy: -45.753
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -301.026919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.026919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.026919 (E_RNA)
where:
Base-Base interactions energy: -114.657
where: short stacking energy: -93.368
Base-Backbone interact. energy: -0.442
local terms energy: -185.928110
where:
bonds (distance) C4'-P energy: -56.279
bonds (distance) P-C4' energy: -43.096
flat angles C4'-P-C4' energy: -52.439
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: 5.845
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: 259
Temperature: 1.350000
Total energy: -249.620472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.620472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.620472 (E_RNA)
where:
Base-Base interactions energy: -75.750
where: short stacking energy: -53.099
Base-Backbone interact. energy: -1.927
local terms energy: -171.944119
where:
bonds (distance) C4'-P energy: -54.179
bonds (distance) P-C4' energy: -63.963
flat angles C4'-P-C4' energy: -48.204
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: 9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1134.711400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.711400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.711400 (E_RNA)
where:
Base-Base interactions energy: -772.844
where: short stacking energy: -305.195
Base-Backbone interact. energy: -2.716
local terms energy: -359.151004
where:
bonds (distance) C4'-P energy: -71.433
bonds (distance) P-C4' energy: -77.022
flat angles C4'-P-C4' energy: -71.114
flat angles P-C4'-P energy: -36.373
tors. eta vs tors. theta energy: -103.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1036.514042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.514042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.514042 (E_RNA)
where:
Base-Base interactions energy: -686.541
where: short stacking energy: -284.643
Base-Backbone interact. energy: 1.454
local terms energy: -351.426935
where:
bonds (distance) C4'-P energy: -57.669
bonds (distance) P-C4' energy: -73.893
flat angles C4'-P-C4' energy: -70.959
flat angles P-C4'-P energy: -57.080
tors. eta vs tors. theta energy: -91.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1027.441369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.441369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.441369 (E_RNA)
where:
Base-Base interactions energy: -681.233
where: short stacking energy: -307.629
Base-Backbone interact. energy: -1.062
local terms energy: -345.146518
where:
bonds (distance) C4'-P energy: -59.391
bonds (distance) P-C4' energy: -64.151
flat angles C4'-P-C4' energy: -70.793
flat angles P-C4'-P energy: -49.442
tors. eta vs tors. theta energy: -101.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -882.105791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.105791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.105791 (E_RNA)
where:
Base-Base interactions energy: -573.410
where: short stacking energy: -231.373
Base-Backbone interact. energy: 1.189
local terms energy: -309.884739
where:
bonds (distance) C4'-P energy: -67.602
bonds (distance) P-C4' energy: -63.111
flat angles C4'-P-C4' energy: -69.692
flat angles P-C4'-P energy: -44.054
tors. eta vs tors. theta energy: -65.425
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: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -771.220961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.220961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.220961 (E_RNA)
where:
Base-Base interactions energy: -484.371
where: short stacking energy: -225.390
Base-Backbone interact. energy: -0.187
local terms energy: -286.662913
where:
bonds (distance) C4'-P energy: -65.658
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -64.425
flat angles P-C4'-P energy: -36.024
tors. eta vs tors. theta energy: -61.460
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: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -609.952765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.952765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.952765 (E_RNA)
where:
Base-Base interactions energy: -359.186
where: short stacking energy: -160.206
Base-Backbone interact. energy: -1.016
local terms energy: -249.750873
where:
bonds (distance) C4'-P energy: -56.111
bonds (distance) P-C4' energy: -51.974
flat angles C4'-P-C4' energy: -62.295
flat angles P-C4'-P energy: -42.006
tors. eta vs tors. theta energy: -37.365
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: 260
Temperature: 1.200000
Total energy: -312.192411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.192411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.192411 (E_RNA)
where:
Base-Base interactions energy: -119.622
where: short stacking energy: -76.220
Base-Backbone interact. energy: -0.211
local terms energy: -192.358539
where:
bonds (distance) C4'-P energy: -59.208
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -55.811
flat angles P-C4'-P energy: -33.699
tors. eta vs tors. theta energy: 6.466
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: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -327.476247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.476247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.476247 (E_RNA)
where:
Base-Base interactions energy: -118.838
where: short stacking energy: -87.352
Base-Backbone interact. energy: -1.351
local terms energy: -207.286983
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -54.947
flat angles C4'-P-C4' energy: -52.718
flat angles P-C4'-P energy: -45.725
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -279.172560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.172560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.172560 (E_RNA)
where:
Base-Base interactions energy: -88.997
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.134
local terms energy: -190.041985
where:
bonds (distance) C4'-P energy: -63.664
bonds (distance) P-C4' energy: -61.355
flat angles C4'-P-C4' energy: -38.217
flat angles P-C4'-P energy: -37.203
tors. eta vs tors. theta energy: 10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -260.414280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.414280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.414280 (E_RNA)
where:
Base-Base interactions energy: -93.552
where: short stacking energy: -65.778
Base-Backbone interact. energy: -2.084
local terms energy: -164.778727
where:
bonds (distance) C4'-P energy: -58.628
bonds (distance) P-C4' energy: -48.414
flat angles C4'-P-C4' energy: -48.526
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: 10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1123.441806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.441806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.441806 (E_RNA)
where:
Base-Base interactions energy: -765.803
where: short stacking energy: -305.039
Base-Backbone interact. energy: -2.499
local terms energy: -355.140336
where:
bonds (distance) C4'-P energy: -66.282
bonds (distance) P-C4' energy: -73.149
flat angles C4'-P-C4' energy: -73.243
flat angles P-C4'-P energy: -45.352
tors. eta vs tors. theta energy: -97.115
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1051.139252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.139252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.139252 (E_RNA)
where:
Base-Base interactions energy: -689.067
where: short stacking energy: -307.515
Base-Backbone interact. energy: -0.488
local terms energy: -361.584968
where:
bonds (distance) C4'-P energy: -75.953
bonds (distance) P-C4' energy: -75.026
flat angles C4'-P-C4' energy: -65.168
flat angles P-C4'-P energy: -49.011
tors. eta vs tors. theta energy: -96.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1062.267264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.267264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.267264 (E_RNA)
where:
Base-Base interactions energy: -723.706
where: short stacking energy: -317.705
Base-Backbone interact. energy: 1.732
local terms energy: -340.293950
where:
bonds (distance) C4'-P energy: -53.730
bonds (distance) P-C4' energy: -63.709
flat angles C4'-P-C4' energy: -70.435
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: -109.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -907.941410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.941410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.941410 (E_RNA)
where:
Base-Base interactions energy: -579.342
where: short stacking energy: -256.559
Base-Backbone interact. energy: -0.142
local terms energy: -328.457337
where:
bonds (distance) C4'-P energy: -66.312
bonds (distance) P-C4' energy: -63.513
flat angles C4'-P-C4' energy: -77.870
flat angles P-C4'-P energy: -47.573
tors. eta vs tors. theta energy: -73.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -760.445723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.445723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.445723 (E_RNA)
where:
Base-Base interactions energy: -474.692
where: short stacking energy: -217.822
Base-Backbone interact. energy: -1.084
local terms energy: -284.669892
where:
bonds (distance) C4'-P energy: -56.569
bonds (distance) P-C4' energy: -65.544
flat angles C4'-P-C4' energy: -64.997
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -55.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -614.619011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.619011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.619011 (E_RNA)
where:
Base-Base interactions energy: -361.131
where: short stacking energy: -188.826
Base-Backbone interact. energy: 3.599
local terms energy: -257.087211
where:
bonds (distance) C4'-P energy: -51.315
bonds (distance) P-C4' energy: -60.241
flat angles C4'-P-C4' energy: -59.674
flat angles P-C4'-P energy: -42.795
tors. eta vs tors. theta energy: -43.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -300.748297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.748297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.748297 (E_RNA)
where:
Base-Base interactions energy: -105.045
where: short stacking energy: -85.632
Base-Backbone interact. energy: -1.132
local terms energy: -194.572007
where:
bonds (distance) C4'-P energy: -56.231
bonds (distance) P-C4' energy: -58.334
flat angles C4'-P-C4' energy: -60.896
flat angles P-C4'-P energy: -24.344
tors. eta vs tors. theta energy: 5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -317.373571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.373571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.373571 (E_RNA)
where:
Base-Base interactions energy: -128.878
where: short stacking energy: -96.020
Base-Backbone interact. energy: -1.005
local terms energy: -187.490822
where:
bonds (distance) C4'-P energy: -58.596
bonds (distance) P-C4' energy: -63.671
flat angles C4'-P-C4' energy: -41.193
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -298.847045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.847045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.847045 (E_RNA)
where:
Base-Base interactions energy: -99.472
where: short stacking energy: -86.888
Base-Backbone interact. energy: 0.666
local terms energy: -200.041717
where:
bonds (distance) C4'-P energy: -49.466
bonds (distance) P-C4' energy: -65.129
flat angles C4'-P-C4' energy: -52.953
flat angles P-C4'-P energy: -36.658
tors. eta vs tors. theta energy: 4.165
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: 261
Temperature: 1.350000
Total energy: -260.195037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.195037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.195037 (E_RNA)
where:
Base-Base interactions energy: -87.662
where: short stacking energy: -85.251
Base-Backbone interact. energy: -0.525
local terms energy: -172.008266
where:
bonds (distance) C4'-P energy: -46.913
bonds (distance) P-C4' energy: -58.031
flat angles C4'-P-C4' energy: -40.873
flat angles P-C4'-P energy: -27.746
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1115.161067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.161067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.161067 (E_RNA)
where:
Base-Base interactions energy: -755.916
where: short stacking energy: -296.688
Base-Backbone interact. energy: -3.176
local terms energy: -356.069636
where:
bonds (distance) C4'-P energy: -64.619
bonds (distance) P-C4' energy: -70.190
flat angles C4'-P-C4' energy: -72.669
flat angles P-C4'-P energy: -46.098
tors. eta vs tors. theta energy: -102.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1044.725883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.725883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.725883 (E_RNA)
where:
Base-Base interactions energy: -707.507
where: short stacking energy: -306.819
Base-Backbone interact. energy: -0.630
local terms energy: -336.588782
where:
bonds (distance) C4'-P energy: -61.528
bonds (distance) P-C4' energy: -63.185
flat angles C4'-P-C4' energy: -62.495
flat angles P-C4'-P energy: -48.125
tors. eta vs tors. theta energy: -101.256
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1040.014583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.014583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.014583 (E_RNA)
where:
Base-Base interactions energy: -665.715
where: short stacking energy: -305.912
Base-Backbone interact. energy: -0.323
local terms energy: -373.976219
where:
bonds (distance) C4'-P energy: -69.950
bonds (distance) P-C4' energy: -68.777
flat angles C4'-P-C4' energy: -78.340
flat angles P-C4'-P energy: -53.670
tors. eta vs tors. theta energy: -103.240
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: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -891.917029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.917029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.917029 (E_RNA)
where:
Base-Base interactions energy: -563.551
where: short stacking energy: -244.709
Base-Backbone interact. energy: -1.738
local terms energy: -326.627431
where:
bonds (distance) C4'-P energy: -62.391
bonds (distance) P-C4' energy: -69.211
flat angles C4'-P-C4' energy: -72.692
flat angles P-C4'-P energy: -50.937
tors. eta vs tors. theta energy: -71.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -691.138823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.138823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.138823 (E_RNA)
where:
Base-Base interactions energy: -426.891
where: short stacking energy: -177.032
Base-Backbone interact. energy: 0.110
local terms energy: -264.357400
where:
bonds (distance) C4'-P energy: -49.527
bonds (distance) P-C4' energy: -65.463
flat angles C4'-P-C4' energy: -63.822
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -47.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -591.321346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.321346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.321346 (E_RNA)
where:
Base-Base interactions energy: -328.942
where: short stacking energy: -158.523
Base-Backbone interact. energy: 3.926
local terms energy: -266.304698
where:
bonds (distance) C4'-P energy: -63.346
bonds (distance) P-C4' energy: -62.693
flat angles C4'-P-C4' energy: -61.686
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: -36.071
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: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -365.517483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.517483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.517483 (E_RNA)
where:
Base-Base interactions energy: -114.300
where: short stacking energy: -77.261
Base-Backbone interact. energy: -0.990
local terms energy: -250.228223
where:
bonds (distance) C4'-P energy: -62.922
bonds (distance) P-C4' energy: -73.144
flat angles C4'-P-C4' energy: -69.281
flat angles P-C4'-P energy: -46.526
tors. eta vs tors. theta energy: 1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -348.591731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.591731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.591731 (E_RNA)
where:
Base-Base interactions energy: -137.026
where: short stacking energy: -93.631
Base-Backbone interact. energy: -0.995
local terms energy: -210.571180
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -68.126
flat angles C4'-P-C4' energy: -57.923
flat angles P-C4'-P energy: -27.800
tors. eta vs tors. theta energy: -4.677
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: 262
Temperature: 1.300000
Total energy: -299.055501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.055501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.055501 (E_RNA)
where:
Base-Base interactions energy: -104.670
where: short stacking energy: -67.530
Base-Backbone interact. energy: -0.377
local terms energy: -194.008893
where:
bonds (distance) C4'-P energy: -61.731
bonds (distance) P-C4' energy: -67.192
flat angles C4'-P-C4' energy: -45.278
flat angles P-C4'-P energy: -30.115
tors. eta vs tors. theta energy: 10.307
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: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -266.440635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.440635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.440635 (E_RNA)
where:
Base-Base interactions energy: -96.713
where: short stacking energy: -67.962
Base-Backbone interact. energy: -1.523
local terms energy: -168.204041
where:
bonds (distance) C4'-P energy: -62.667
bonds (distance) P-C4' energy: -54.708
flat angles C4'-P-C4' energy: -39.071
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: 17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1127.059850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.059850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.059850 (E_RNA)
where:
Base-Base interactions energy: -777.369
where: short stacking energy: -310.683
Base-Backbone interact. energy: -1.510
local terms energy: -348.180830
where:
bonds (distance) C4'-P energy: -60.658
bonds (distance) P-C4' energy: -58.132
flat angles C4'-P-C4' energy: -72.188
flat angles P-C4'-P energy: -52.320
tors. eta vs tors. theta energy: -104.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1067.642144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.642144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.642144 (E_RNA)
where:
Base-Base interactions energy: -714.001
where: short stacking energy: -305.146
Base-Backbone interact. energy: -0.839
local terms energy: -352.801680
where:
bonds (distance) C4'-P energy: -54.573
bonds (distance) P-C4' energy: -69.956
flat angles C4'-P-C4' energy: -74.731
flat angles P-C4'-P energy: -44.959
tors. eta vs tors. theta energy: -108.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1024.962222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.962222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.962222 (E_RNA)
where:
Base-Base interactions energy: -667.186
where: short stacking energy: -274.536
Base-Backbone interact. energy: -2.068
local terms energy: -355.708277
where:
bonds (distance) C4'-P energy: -75.328
bonds (distance) P-C4' energy: -72.358
flat angles C4'-P-C4' energy: -67.593
flat angles P-C4'-P energy: -46.066
tors. eta vs tors. theta energy: -94.364
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: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -883.816302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.816302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.816302 (E_RNA)
where:
Base-Base interactions energy: -574.781
where: short stacking energy: -235.694
Base-Backbone interact. energy: 0.267
local terms energy: -309.302099
where:
bonds (distance) C4'-P energy: -64.865
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -72.262
flat angles P-C4'-P energy: -46.598
tors. eta vs tors. theta energy: -73.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -726.769569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.769569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.769569 (E_RNA)
where:
Base-Base interactions energy: -448.464
where: short stacking energy: -209.678
Base-Backbone interact. energy: 0.272
local terms energy: -278.577954
where:
bonds (distance) C4'-P energy: -56.752
bonds (distance) P-C4' energy: -68.393
flat angles C4'-P-C4' energy: -63.552
flat angles P-C4'-P energy: -37.541
tors. eta vs tors. theta energy: -52.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -606.882979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.882979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.882979 (E_RNA)
where:
Base-Base interactions energy: -348.291
where: short stacking energy: -162.783
Base-Backbone interact. energy: 0.172
local terms energy: -258.763599
where:
bonds (distance) C4'-P energy: -61.929
bonds (distance) P-C4' energy: -60.262
flat angles C4'-P-C4' energy: -58.529
flat angles P-C4'-P energy: -35.281
tors. eta vs tors. theta energy: -42.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -343.843577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.843577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.843577 (E_RNA)
where:
Base-Base interactions energy: -132.758
where: short stacking energy: -105.263
Base-Backbone interact. energy: 1.823
local terms energy: -212.908583
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -60.679
flat angles C4'-P-C4' energy: -53.378
flat angles P-C4'-P energy: -35.211
tors. eta vs tors. theta energy: -11.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -314.677884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.677884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.677884 (E_RNA)
where:
Base-Base interactions energy: -109.686
where: short stacking energy: -86.462
Base-Backbone interact. energy: -0.020
local terms energy: -204.972083
where:
bonds (distance) C4'-P energy: -54.141
bonds (distance) P-C4' energy: -71.224
flat angles C4'-P-C4' energy: -51.899
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -7.362
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: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -313.169652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.169652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.169652 (E_RNA)
where:
Base-Base interactions energy: -126.376
where: short stacking energy: -91.592
Base-Backbone interact. energy: -0.620
local terms energy: -186.173250
where:
bonds (distance) C4'-P energy: -58.703
bonds (distance) P-C4' energy: -63.049
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: 7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -259.600417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.600417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.600417 (E_RNA)
where:
Base-Base interactions energy: -70.978
where: short stacking energy: -54.209
Base-Backbone interact. energy: -1.055
local terms energy: -187.567436
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -65.638
flat angles C4'-P-C4' energy: -44.952
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: 9.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1129.043070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.043070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.043070 (E_RNA)
where:
Base-Base interactions energy: -762.980
where: short stacking energy: -309.599
Base-Backbone interact. energy: -2.830
local terms energy: -363.232597
where:
bonds (distance) C4'-P energy: -65.993
bonds (distance) P-C4' energy: -70.192
flat angles C4'-P-C4' energy: -74.201
flat angles P-C4'-P energy: -50.924
tors. eta vs tors. theta energy: -101.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1090.458586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.458586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.458586 (E_RNA)
where:
Base-Base interactions energy: -722.542
where: short stacking energy: -311.879
Base-Backbone interact. energy: -0.628
local terms energy: -367.288977
where:
bonds (distance) C4'-P energy: -69.522
bonds (distance) P-C4' energy: -64.562
flat angles C4'-P-C4' energy: -77.348
flat angles P-C4'-P energy: -47.807
tors. eta vs tors. theta energy: -108.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1018.321601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.321601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.321601 (E_RNA)
where:
Base-Base interactions energy: -706.723
where: short stacking energy: -303.565
Base-Backbone interact. energy: -0.711
local terms energy: -310.887257
where:
bonds (distance) C4'-P energy: -63.684
bonds (distance) P-C4' energy: -55.162
flat angles C4'-P-C4' energy: -66.755
flat angles P-C4'-P energy: -32.812
tors. eta vs tors. theta energy: -92.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -887.730453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.730453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.730453 (E_RNA)
where:
Base-Base interactions energy: -585.318
where: short stacking energy: -244.235
Base-Backbone interact. energy: -0.927
local terms energy: -301.485755
where:
bonds (distance) C4'-P energy: -59.007
bonds (distance) P-C4' energy: -60.776
flat angles C4'-P-C4' energy: -67.355
flat angles P-C4'-P energy: -43.747
tors. eta vs tors. theta energy: -70.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -732.830472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.830472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.830472 (E_RNA)
where:
Base-Base interactions energy: -464.113
where: short stacking energy: -209.862
Base-Backbone interact. energy: -1.120
local terms energy: -267.598028
where:
bonds (distance) C4'-P energy: -60.414
bonds (distance) P-C4' energy: -61.229
flat angles C4'-P-C4' energy: -55.127
flat angles P-C4'-P energy: -44.204
tors. eta vs tors. theta energy: -46.624
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: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -513.633942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.633942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.633942 (E_RNA)
where:
Base-Base interactions energy: -267.583
where: short stacking energy: -133.995
Base-Backbone interact. energy: -1.309
local terms energy: -244.742081
where:
bonds (distance) C4'-P energy: -59.344
bonds (distance) P-C4' energy: -71.394
flat angles C4'-P-C4' energy: -55.021
flat angles P-C4'-P energy: -36.386
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -383.519813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.519813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.519813 (E_RNA)
where:
Base-Base interactions energy: -168.013
where: short stacking energy: -113.711
Base-Backbone interact. energy: -0.013
local terms energy: -215.493389
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -64.292
flat angles C4'-P-C4' energy: -57.897
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -327.110035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.110035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.110035 (E_RNA)
where:
Base-Base interactions energy: -119.998
where: short stacking energy: -112.571
Base-Backbone interact. energy: 1.238
local terms energy: -208.349782
where:
bonds (distance) C4'-P energy: -53.721
bonds (distance) P-C4' energy: -47.355
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -10.784
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: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -271.639372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.639372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.639372 (E_RNA)
where:
Base-Base interactions energy: -86.770
where: short stacking energy: -75.332
Base-Backbone interact. energy: 1.645
local terms energy: -186.515061
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -61.663
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -26.788
tors. eta vs tors. theta energy: 4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -258.393133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.393133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.393133 (E_RNA)
where:
Base-Base interactions energy: -93.296
where: short stacking energy: -67.060
Base-Backbone interact. energy: -1.844
local terms energy: -163.253496
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -49.763
flat angles C4'-P-C4' energy: -52.291
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: 7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1127.459705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.459705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.459705 (E_RNA)
where:
Base-Base interactions energy: -760.660
where: short stacking energy: -296.482
Base-Backbone interact. energy: -1.696
local terms energy: -365.103666
where:
bonds (distance) C4'-P energy: -79.083
bonds (distance) P-C4' energy: -70.582
flat angles C4'-P-C4' energy: -68.840
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -99.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1071.208311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.208311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.208311 (E_RNA)
where:
Base-Base interactions energy: -712.534
where: short stacking energy: -310.616
Base-Backbone interact. energy: 0.464
local terms energy: -359.138232
where:
bonds (distance) C4'-P energy: -57.675
bonds (distance) P-C4' energy: -62.988
flat angles C4'-P-C4' energy: -78.686
flat angles P-C4'-P energy: -49.384
tors. eta vs tors. theta energy: -110.405
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: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1020.266797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.266797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.266797 (E_RNA)
where:
Base-Base interactions energy: -676.613
where: short stacking energy: -290.956
Base-Backbone interact. energy: -0.650
local terms energy: -343.003742
where:
bonds (distance) C4'-P energy: -59.212
bonds (distance) P-C4' energy: -60.616
flat angles C4'-P-C4' energy: -77.280
flat angles P-C4'-P energy: -47.915
tors. eta vs tors. theta energy: -97.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -889.989350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.989350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.989350 (E_RNA)
where:
Base-Base interactions energy: -581.897
where: short stacking energy: -250.020
Base-Backbone interact. energy: -0.174
local terms energy: -307.918321
where:
bonds (distance) C4'-P energy: -61.679
bonds (distance) P-C4' energy: -68.526
flat angles C4'-P-C4' energy: -71.437
flat angles P-C4'-P energy: -47.958
tors. eta vs tors. theta energy: -58.319
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: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -759.559346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.559346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.559346 (E_RNA)
where:
Base-Base interactions energy: -486.342
where: short stacking energy: -184.280
Base-Backbone interact. energy: -1.250
local terms energy: -271.966642
where:
bonds (distance) C4'-P energy: -58.325
bonds (distance) P-C4' energy: -68.060
flat angles C4'-P-C4' energy: -66.531
flat angles P-C4'-P energy: -37.139
tors. eta vs tors. theta energy: -41.912
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: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -528.034982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.034982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.034982 (E_RNA)
where:
Base-Base interactions energy: -290.531
where: short stacking energy: -141.142
Base-Backbone interact. energy: 0.640
local terms energy: -238.144695
where:
bonds (distance) C4'-P energy: -48.710
bonds (distance) P-C4' energy: -71.760
flat angles C4'-P-C4' energy: -50.594
flat angles P-C4'-P energy: -38.300
tors. eta vs tors. theta energy: -28.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -351.445989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.445989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.445989 (E_RNA)
where:
Base-Base interactions energy: -149.894
where: short stacking energy: -96.575
Base-Backbone interact. energy: -3.231
local terms energy: -198.320588
where:
bonds (distance) C4'-P energy: -58.220
bonds (distance) P-C4' energy: -60.132
flat angles C4'-P-C4' energy: -61.001
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: 4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -336.795146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.795146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.795146 (E_RNA)
where:
Base-Base interactions energy: -127.931
where: short stacking energy: -82.161
Base-Backbone interact. energy: 1.097
local terms energy: -209.961103
where:
bonds (distance) C4'-P energy: -58.297
bonds (distance) P-C4' energy: -65.179
flat angles C4'-P-C4' energy: -52.076
flat angles P-C4'-P energy: -34.371
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -286.120985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.120985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.120985 (E_RNA)
where:
Base-Base interactions energy: -114.745
where: short stacking energy: -90.030
Base-Backbone interact. energy: -2.397
local terms energy: -168.978687
where:
bonds (distance) C4'-P energy: -54.886
bonds (distance) P-C4' energy: -57.151
flat angles C4'-P-C4' energy: -40.886
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: 5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -262.354013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.354013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.354013 (E_RNA)
where:
Base-Base interactions energy: -81.541
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.251
local terms energy: -180.561265
where:
bonds (distance) C4'-P energy: -62.845
bonds (distance) P-C4' energy: -64.077
flat angles C4'-P-C4' energy: -50.048
flat angles P-C4'-P energy: -32.058
tors. eta vs tors. theta energy: 28.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1120.474203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.474203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.474203 (E_RNA)
where:
Base-Base interactions energy: -785.627
where: short stacking energy: -298.834
Base-Backbone interact. energy: 0.557
local terms energy: -335.404305
where:
bonds (distance) C4'-P energy: -64.105
bonds (distance) P-C4' energy: -62.077
flat angles C4'-P-C4' energy: -68.621
flat angles P-C4'-P energy: -42.223
tors. eta vs tors. theta energy: -98.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1087.039880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.039880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.039880 (E_RNA)
where:
Base-Base interactions energy: -725.865
where: short stacking energy: -324.617
Base-Backbone interact. energy: -3.705
local terms energy: -357.469837
where:
bonds (distance) C4'-P energy: -63.700
bonds (distance) P-C4' energy: -59.184
flat angles C4'-P-C4' energy: -78.445
flat angles P-C4'-P energy: -45.890
tors. eta vs tors. theta energy: -110.251
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: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1022.262146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.262146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.262146 (E_RNA)
where:
Base-Base interactions energy: -681.332
where: short stacking energy: -295.798
Base-Backbone interact. energy: -0.906
local terms energy: -340.024269
where:
bonds (distance) C4'-P energy: -53.698
bonds (distance) P-C4' energy: -69.076
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -44.809
tors. eta vs tors. theta energy: -101.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -858.738199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.738199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.738199 (E_RNA)
where:
Base-Base interactions energy: -560.250
where: short stacking energy: -240.424
Base-Backbone interact. energy: -0.863
local terms energy: -297.625114
where:
bonds (distance) C4'-P energy: -59.940
bonds (distance) P-C4' energy: -63.165
flat angles C4'-P-C4' energy: -65.263
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: -67.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -782.588765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.588765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.588765 (E_RNA)
where:
Base-Base interactions energy: -504.818
where: short stacking energy: -204.296
Base-Backbone interact. energy: -0.716
local terms energy: -277.054262
where:
bonds (distance) C4'-P energy: -57.076
bonds (distance) P-C4' energy: -60.191
flat angles C4'-P-C4' energy: -65.154
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -53.101
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: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -542.065992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.065992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.065992 (E_RNA)
where:
Base-Base interactions energy: -285.220
where: short stacking energy: -176.200
Base-Backbone interact. energy: -0.274
local terms energy: -256.572928
where:
bonds (distance) C4'-P energy: -56.903
bonds (distance) P-C4' energy: -58.953
flat angles C4'-P-C4' energy: -62.544
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: -40.429
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: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -372.898730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.898730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.898730 (E_RNA)
where:
Base-Base interactions energy: -155.179
where: short stacking energy: -93.008
Base-Backbone interact. energy: -1.085
local terms energy: -216.634689
where:
bonds (distance) C4'-P energy: -68.046
bonds (distance) P-C4' energy: -63.979
flat angles C4'-P-C4' energy: -64.006
flat angles P-C4'-P energy: -33.875
tors. eta vs tors. theta energy: 13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -327.372195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.372195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.372195 (E_RNA)
where:
Base-Base interactions energy: -129.279
where: short stacking energy: -77.682
Base-Backbone interact. energy: -0.183
local terms energy: -197.909634
where:
bonds (distance) C4'-P energy: -56.916
bonds (distance) P-C4' energy: -49.687
flat angles C4'-P-C4' energy: -57.748
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -276.222965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.222965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.222965 (E_RNA)
where:
Base-Base interactions energy: -93.856
where: short stacking energy: -74.081
Base-Backbone interact. energy: 0.418
local terms energy: -182.784328
where:
bonds (distance) C4'-P energy: -59.983
bonds (distance) P-C4' energy: -51.384
flat angles C4'-P-C4' energy: -44.565
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: 2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -287.542442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.542442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.542442 (E_RNA)
where:
Base-Base interactions energy: -110.504
where: short stacking energy: -67.557
Base-Backbone interact. energy: -0.013
local terms energy: -177.025341
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -56.848
flat angles C4'-P-C4' energy: -38.969
flat angles P-C4'-P energy: -37.624
tors. eta vs tors. theta energy: 17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1120.603693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.603693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.603693 (E_RNA)
where:
Base-Base interactions energy: -780.420
where: short stacking energy: -297.294
Base-Backbone interact. energy: -2.461
local terms energy: -337.722769
where:
bonds (distance) C4'-P energy: -61.587
bonds (distance) P-C4' energy: -62.147
flat angles C4'-P-C4' energy: -70.437
flat angles P-C4'-P energy: -51.954
tors. eta vs tors. theta energy: -91.598
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: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1080.766275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.766275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.766275 (E_RNA)
where:
Base-Base interactions energy: -707.795
where: short stacking energy: -327.738
Base-Backbone interact. energy: -0.113
local terms energy: -372.857658
where:
bonds (distance) C4'-P energy: -62.315
bonds (distance) P-C4' energy: -63.256
flat angles C4'-P-C4' energy: -82.897
flat angles P-C4'-P energy: -54.860
tors. eta vs tors. theta energy: -109.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1007.072731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.072731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.072731 (E_RNA)
where:
Base-Base interactions energy: -657.027
where: short stacking energy: -292.423
Base-Backbone interact. energy: -0.261
local terms energy: -349.784367
where:
bonds (distance) C4'-P energy: -66.653
bonds (distance) P-C4' energy: -66.957
flat angles C4'-P-C4' energy: -72.351
flat angles P-C4'-P energy: -41.707
tors. eta vs tors. theta energy: -102.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -895.273521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.273521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.273521 (E_RNA)
where:
Base-Base interactions energy: -590.455
where: short stacking energy: -277.792
Base-Backbone interact. energy: -0.481
local terms energy: -304.337335
where:
bonds (distance) C4'-P energy: -58.293
bonds (distance) P-C4' energy: -59.360
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -41.552
tors. eta vs tors. theta energy: -80.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -715.639172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.639172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.639172 (E_RNA)
where:
Base-Base interactions energy: -438.409
where: short stacking energy: -204.846
Base-Backbone interact. energy: -0.268
local terms energy: -276.961554
where:
bonds (distance) C4'-P energy: -58.947
bonds (distance) P-C4' energy: -61.584
flat angles C4'-P-C4' energy: -56.987
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: -57.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -489.369622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.369622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.369622 (E_RNA)
where:
Base-Base interactions energy: -267.411
where: short stacking energy: -145.760
Base-Backbone interact. energy: 1.425
local terms energy: -223.383168
where:
bonds (distance) C4'-P energy: -67.092
bonds (distance) P-C4' energy: -58.385
flat angles C4'-P-C4' energy: -51.065
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -339.701959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.701959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.701959 (E_RNA)
where:
Base-Base interactions energy: -158.252
where: short stacking energy: -102.122
Base-Backbone interact. energy: 1.122
local terms energy: -182.571180
where:
bonds (distance) C4'-P energy: -53.236
bonds (distance) P-C4' energy: -56.027
flat angles C4'-P-C4' energy: -42.664
flat angles P-C4'-P energy: -29.591
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -328.932955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.932955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.932955 (E_RNA)
where:
Base-Base interactions energy: -146.569
where: short stacking energy: -97.299
Base-Backbone interact. energy: -0.326
local terms energy: -182.037769
where:
bonds (distance) C4'-P energy: -61.968
bonds (distance) P-C4' energy: -43.959
flat angles C4'-P-C4' energy: -45.178
flat angles P-C4'-P energy: -32.015
tors. eta vs tors. theta energy: 1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -287.050691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.050691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.050691 (E_RNA)
where:
Base-Base interactions energy: -96.643
where: short stacking energy: -76.310
Base-Backbone interact. energy: -0.143
local terms energy: -190.264496
where:
bonds (distance) C4'-P energy: -60.610
bonds (distance) P-C4' energy: -57.341
flat angles C4'-P-C4' energy: -44.406
flat angles P-C4'-P energy: -28.244
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: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -251.319559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.319559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.319559 (E_RNA)
where:
Base-Base interactions energy: -82.790
where: short stacking energy: -62.999
Base-Backbone interact. energy: 4.214
local terms energy: -175.682620
where:
bonds (distance) C4'-P energy: -54.069
bonds (distance) P-C4' energy: -59.811
flat angles C4'-P-C4' energy: -42.584
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: 4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.939 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1130.584452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.584452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.584452 (E_RNA)
where:
Base-Base interactions energy: -767.846
where: short stacking energy: -294.670
Base-Backbone interact. energy: -4.118
local terms energy: -358.620963
where:
bonds (distance) C4'-P energy: -65.217
bonds (distance) P-C4' energy: -71.726
flat angles C4'-P-C4' energy: -78.242
flat angles P-C4'-P energy: -47.851
tors. eta vs tors. theta energy: -95.585
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: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1055.697702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.697702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.697702 (E_RNA)
where:
Base-Base interactions energy: -707.307
where: short stacking energy: -309.110
Base-Backbone interact. energy: -0.825
local terms energy: -347.565854
where:
bonds (distance) C4'-P energy: -58.377
bonds (distance) P-C4' energy: -64.583
flat angles C4'-P-C4' energy: -77.587
flat angles P-C4'-P energy: -42.095
tors. eta vs tors. theta energy: -104.924
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: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1024.409360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.409360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.409360 (E_RNA)
where:
Base-Base interactions energy: -673.425
where: short stacking energy: -293.738
Base-Backbone interact. energy: -0.315
local terms energy: -350.669316
where:
bonds (distance) C4'-P energy: -65.248
bonds (distance) P-C4' energy: -64.734
flat angles C4'-P-C4' energy: -78.357
flat angles P-C4'-P energy: -42.983
tors. eta vs tors. theta energy: -99.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -891.173054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.173054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.173054 (E_RNA)
where:
Base-Base interactions energy: -585.474
where: short stacking energy: -246.847
Base-Backbone interact. energy: 0.242
local terms energy: -305.940766
where:
bonds (distance) C4'-P energy: -54.938
bonds (distance) P-C4' energy: -62.465
flat angles C4'-P-C4' energy: -68.875
flat angles P-C4'-P energy: -48.742
tors. eta vs tors. theta energy: -70.921
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -756.140236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.140236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.140236 (E_RNA)
where:
Base-Base interactions energy: -464.963
where: short stacking energy: -202.812
Base-Backbone interact. energy: -1.463
local terms energy: -289.714320
where:
bonds (distance) C4'-P energy: -63.236
bonds (distance) P-C4' energy: -58.901
flat angles C4'-P-C4' energy: -59.854
flat angles P-C4'-P energy: -48.909
tors. eta vs tors. theta energy: -58.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -509.028050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.028050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.028050 (E_RNA)
where:
Base-Base interactions energy: -280.472
where: short stacking energy: -154.327
Base-Backbone interact. energy: -2.226
local terms energy: -226.329968
where:
bonds (distance) C4'-P energy: -59.438
bonds (distance) P-C4' energy: -60.310
flat angles C4'-P-C4' energy: -49.812
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -33.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -356.647633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.647633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.647633 (E_RNA)
where:
Base-Base interactions energy: -161.704
where: short stacking energy: -91.201
Base-Backbone interact. energy: -0.813
local terms energy: -194.130583
where:
bonds (distance) C4'-P energy: -54.088
bonds (distance) P-C4' energy: -50.006
flat angles C4'-P-C4' energy: -58.410
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: 6.472
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: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -307.345584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.345584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.345584 (E_RNA)
where:
Base-Base interactions energy: -104.754
where: short stacking energy: -81.418
Base-Backbone interact. energy: -1.553
local terms energy: -201.288486
where:
bonds (distance) C4'-P energy: -65.184
bonds (distance) P-C4' energy: -62.704
flat angles C4'-P-C4' energy: -45.874
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: -1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.250 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -286.428294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.428294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.428294 (E_RNA)
where:
Base-Base interactions energy: -97.664
where: short stacking energy: -71.465
Base-Backbone interact. energy: 0.553
local terms energy: -189.318075
where:
bonds (distance) C4'-P energy: -61.728
bonds (distance) P-C4' energy: -57.137
flat angles C4'-P-C4' energy: -56.186
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: 7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -269.932603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.932603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.932603 (E_RNA)
where:
Base-Base interactions energy: -92.155
where: short stacking energy: -75.203
Base-Backbone interact. energy: -2.029
local terms energy: -175.748505
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -42.546
flat angles P-C4'-P energy: -32.437
tors. eta vs tors. theta energy: 10.794
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: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1112.080084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.080084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.080084 (E_RNA)
where:
Base-Base interactions energy: -768.877
where: short stacking energy: -302.635
Base-Backbone interact. energy: -1.943
local terms energy: -341.260817
where:
bonds (distance) C4'-P energy: -65.743
bonds (distance) P-C4' energy: -62.152
flat angles C4'-P-C4' energy: -68.088
flat angles P-C4'-P energy: -46.419
tors. eta vs tors. theta energy: -98.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1082.268683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.268683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.268683 (E_RNA)
where:
Base-Base interactions energy: -714.113
where: short stacking energy: -332.301
Base-Backbone interact. energy: -0.312
local terms energy: -367.844128
where:
bonds (distance) C4'-P energy: -63.827
bonds (distance) P-C4' energy: -69.399
flat angles C4'-P-C4' energy: -66.208
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -113.566
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: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -989.935872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.935872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.935872 (E_RNA)
where:
Base-Base interactions energy: -670.543
where: short stacking energy: -278.178
Base-Backbone interact. energy: -1.181
local terms energy: -318.289303
where:
bonds (distance) C4'-P energy: -63.632
bonds (distance) P-C4' energy: -61.186
flat angles C4'-P-C4' energy: -65.254
flat angles P-C4'-P energy: -49.639
tors. eta vs tors. theta energy: -78.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.078 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -893.839560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.839560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.839560 (E_RNA)
where:
Base-Base interactions energy: -575.045
where: short stacking energy: -252.173
Base-Backbone interact. energy: -0.395
local terms energy: -318.399867
where:
bonds (distance) C4'-P energy: -64.353
bonds (distance) P-C4' energy: -61.101
flat angles C4'-P-C4' energy: -62.451
flat angles P-C4'-P energy: -51.075
tors. eta vs tors. theta energy: -79.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -716.750382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.750382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.750382 (E_RNA)
where:
Base-Base interactions energy: -443.392
where: short stacking energy: -191.331
Base-Backbone interact. energy: -1.581
local terms energy: -271.777412
where:
bonds (distance) C4'-P energy: -56.656
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -69.716
flat angles P-C4'-P energy: -53.288
tors. eta vs tors. theta energy: -40.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -531.142563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.142563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.142563 (E_RNA)
where:
Base-Base interactions energy: -290.377
where: short stacking energy: -140.996
Base-Backbone interact. energy: -0.150
local terms energy: -240.615383
where:
bonds (distance) C4'-P energy: -64.103
bonds (distance) P-C4' energy: -61.702
flat angles C4'-P-C4' energy: -54.599
flat angles P-C4'-P energy: -29.247
tors. eta vs tors. theta energy: -30.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -418.647133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.647133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.647133 (E_RNA)
where:
Base-Base interactions energy: -207.401
where: short stacking energy: -103.505
Base-Backbone interact. energy: 0.300
local terms energy: -211.546357
where:
bonds (distance) C4'-P energy: -54.428
bonds (distance) P-C4' energy: -62.327
flat angles C4'-P-C4' energy: -42.920
flat angles P-C4'-P energy: -34.785
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -302.699261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.699261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.699261 (E_RNA)
where:
Base-Base interactions energy: -121.395
where: short stacking energy: -79.444
Base-Backbone interact. energy: -1.273
local terms energy: -180.031020
where:
bonds (distance) C4'-P energy: -54.987
bonds (distance) P-C4' energy: -50.818
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -36.203
tors. eta vs tors. theta energy: 3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -295.334317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.334317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.334317 (E_RNA)
where:
Base-Base interactions energy: -87.534
where: short stacking energy: -75.729
Base-Backbone interact. energy: -0.562
local terms energy: -207.500711
where:
bonds (distance) C4'-P energy: -60.237
bonds (distance) P-C4' energy: -63.873
flat angles C4'-P-C4' energy: -50.804
flat angles P-C4'-P energy: -33.046
tors. eta vs tors. theta energy: 0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.262 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -269.013093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.013093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.013093 (E_RNA)
where:
Base-Base interactions energy: -100.189
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.052
local terms energy: -168.772012
where:
bonds (distance) C4'-P energy: -52.640
bonds (distance) P-C4' energy: -66.947
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: 9.189
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: 1, replica: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1138.103319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.103319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.103319 (E_RNA)
where:
Base-Base interactions energy: -780.268
where: short stacking energy: -313.609
Base-Backbone interact. energy: -0.689
local terms energy: -357.145814
where:
bonds (distance) C4'-P energy: -59.352
bonds (distance) P-C4' energy: -69.870
flat angles C4'-P-C4' energy: -72.512
flat angles P-C4'-P energy: -60.922
tors. eta vs tors. theta energy: -94.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1091.419776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.419776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.419776 (E_RNA)
where:
Base-Base interactions energy: -707.393
where: short stacking energy: -312.725
Base-Backbone interact. energy: -0.265
local terms energy: -383.761371
where:
bonds (distance) C4'-P energy: -72.326
bonds (distance) P-C4' energy: -66.253
flat angles C4'-P-C4' energy: -71.463
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: -118.004
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: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1022.420249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.420249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.420249 (E_RNA)
where:
Base-Base interactions energy: -675.357
where: short stacking energy: -291.382
Base-Backbone interact. energy: 1.090
local terms energy: -348.153351
where:
bonds (distance) C4'-P energy: -53.324
bonds (distance) P-C4' energy: -65.685
flat angles C4'-P-C4' energy: -74.911
flat angles P-C4'-P energy: -59.339
tors. eta vs tors. theta energy: -94.895
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: 270
Temperature: 1.050000
Total energy: -883.827722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.827722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.827722 (E_RNA)
where:
Base-Base interactions energy: -572.786
where: short stacking energy: -237.208
Base-Backbone interact. energy: -1.558
local terms energy: -309.483333
where:
bonds (distance) C4'-P energy: -53.975
bonds (distance) P-C4' energy: -63.345
flat angles C4'-P-C4' energy: -71.842
flat angles P-C4'-P energy: -50.804
tors. eta vs tors. theta energy: -69.518
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: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -736.521599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.521599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.521599 (E_RNA)
where:
Base-Base interactions energy: -451.528
where: short stacking energy: -206.923
Base-Backbone interact. energy: -1.831
local terms energy: -283.162256
where:
bonds (distance) C4'-P energy: -48.945
bonds (distance) P-C4' energy: -64.920
flat angles C4'-P-C4' energy: -64.876
flat angles P-C4'-P energy: -48.547
tors. eta vs tors. theta energy: -55.875
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: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -572.444856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.444856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.444856 (E_RNA)
where:
Base-Base interactions energy: -351.351
where: short stacking energy: -162.440
Base-Backbone interact. energy: 0.207
local terms energy: -221.301267
where:
bonds (distance) C4'-P energy: -64.451
bonds (distance) P-C4' energy: -48.674
flat angles C4'-P-C4' energy: -49.740
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -29.347
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: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -401.215670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.215670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.215670 (E_RNA)
where:
Base-Base interactions energy: -192.533
where: short stacking energy: -123.041
Base-Backbone interact. energy: 1.651
local terms energy: -210.333868
where:
bonds (distance) C4'-P energy: -58.195
bonds (distance) P-C4' energy: -46.340
flat angles C4'-P-C4' energy: -58.617
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -324.485205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.485205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.485205 (E_RNA)
where:
Base-Base interactions energy: -114.679
where: short stacking energy: -76.633
Base-Backbone interact. energy: 0.400
local terms energy: -210.206011
where:
bonds (distance) C4'-P energy: -63.904
bonds (distance) P-C4' energy: -59.312
flat angles C4'-P-C4' energy: -56.520
flat angles P-C4'-P energy: -38.878
tors. eta vs tors. theta energy: 8.408
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: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -299.968135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.968135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.968135 (E_RNA)
where:
Base-Base interactions energy: -96.506
where: short stacking energy: -84.238
Base-Backbone interact. energy: 2.823
local terms energy: -206.285210
where:
bonds (distance) C4'-P energy: -64.537
bonds (distance) P-C4' energy: -59.003
flat angles C4'-P-C4' energy: -62.508
flat angles P-C4'-P energy: -29.734
tors. eta vs tors. theta energy: 9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -245.754371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.754371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.754371 (E_RNA)
where:
Base-Base interactions energy: -69.410
where: short stacking energy: -57.648
Base-Backbone interact. energy: 0.580
local terms energy: -176.925186
where:
bonds (distance) C4'-P energy: -56.985
bonds (distance) P-C4' energy: -57.175
flat angles C4'-P-C4' energy: -47.343
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: 13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1127.259994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.259994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.259994 (E_RNA)
where:
Base-Base interactions energy: -758.968
where: short stacking energy: -303.027
Base-Backbone interact. energy: -3.071
local terms energy: -365.220234
where:
bonds (distance) C4'-P energy: -69.081
bonds (distance) P-C4' energy: -69.093
flat angles C4'-P-C4' energy: -76.732
flat angles P-C4'-P energy: -50.490
tors. eta vs tors. theta energy: -99.824
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: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1081.183486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.183486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.183486 (E_RNA)
where:
Base-Base interactions energy: -701.047
where: short stacking energy: -313.116
Base-Backbone interact. energy: 0.357
local terms energy: -380.493384
where:
bonds (distance) C4'-P energy: -73.220
bonds (distance) P-C4' energy: -67.988
flat angles C4'-P-C4' energy: -77.540
flat angles P-C4'-P energy: -50.444
tors. eta vs tors. theta energy: -111.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1002.959394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.959394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.959394 (E_RNA)
where:
Base-Base interactions energy: -664.489
where: short stacking energy: -300.765
Base-Backbone interact. energy: -1.882
local terms energy: -336.588466
where:
bonds (distance) C4'-P energy: -58.872
bonds (distance) P-C4' energy: -67.430
flat angles C4'-P-C4' energy: -69.201
flat angles P-C4'-P energy: -41.901
tors. eta vs tors. theta energy: -99.185
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: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -883.309777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.309777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.309777 (E_RNA)
where:
Base-Base interactions energy: -556.733
where: short stacking energy: -254.021
Base-Backbone interact. energy: -1.072
local terms energy: -325.504907
where:
bonds (distance) C4'-P energy: -66.775
bonds (distance) P-C4' energy: -67.284
flat angles C4'-P-C4' energy: -67.667
flat angles P-C4'-P energy: -43.604
tors. eta vs tors. theta energy: -80.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -732.234108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.234108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.234108 (E_RNA)
where:
Base-Base interactions energy: -444.389
where: short stacking energy: -193.305
Base-Backbone interact. energy: 0.326
local terms energy: -288.171346
where:
bonds (distance) C4'-P energy: -60.553
bonds (distance) P-C4' energy: -57.835
flat angles C4'-P-C4' energy: -72.167
flat angles P-C4'-P energy: -49.493
tors. eta vs tors. theta energy: -48.123
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: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -527.728809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.728809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.728809 (E_RNA)
where:
Base-Base interactions energy: -288.477
where: short stacking energy: -153.600
Base-Backbone interact. energy: -1.052
local terms energy: -238.199222
where:
bonds (distance) C4'-P energy: -46.327
bonds (distance) P-C4' energy: -65.857
flat angles C4'-P-C4' energy: -62.315
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -33.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -412.935829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.935829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.935829 (E_RNA)
where:
Base-Base interactions energy: -194.009
where: short stacking energy: -111.247
Base-Backbone interact. energy: -1.100
local terms energy: -217.827297
where:
bonds (distance) C4'-P energy: -60.563
bonds (distance) P-C4' energy: -60.912
flat angles C4'-P-C4' energy: -58.135
flat angles P-C4'-P energy: -25.556
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -294.314576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.314576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.314576 (E_RNA)
where:
Base-Base interactions energy: -103.615
where: short stacking energy: -82.920
Base-Backbone interact. energy: 1.055
local terms energy: -191.754878
where:
bonds (distance) C4'-P energy: -57.360
bonds (distance) P-C4' energy: -57.038
flat angles C4'-P-C4' energy: -48.435
flat angles P-C4'-P energy: -30.617
tors. eta vs tors. theta energy: 1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -325.311967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.311967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.311967 (E_RNA)
where:
Base-Base interactions energy: -144.395
where: short stacking energy: -81.070
Base-Backbone interact. energy: 0.675
local terms energy: -181.724205
where:
bonds (distance) C4'-P energy: -47.166
bonds (distance) P-C4' energy: -65.917
flat angles C4'-P-C4' energy: -43.836
flat angles P-C4'-P energy: -28.029
tors. eta vs tors. theta energy: 3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.132 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -249.251835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.251835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.251835 (E_RNA)
where:
Base-Base interactions energy: -92.385
where: short stacking energy: -73.974
Base-Backbone interact. energy: -0.370
local terms energy: -156.496519
where:
bonds (distance) C4'-P energy: -54.380
bonds (distance) P-C4' energy: -64.178
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: 6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1068.909829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.909829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.909829 (E_RNA)
where:
Base-Base interactions energy: -694.385
where: short stacking energy: -330.055
Base-Backbone interact. energy: -0.520
local terms energy: -374.004368
where:
bonds (distance) C4'-P energy: -69.476
bonds (distance) P-C4' energy: -64.544
flat angles C4'-P-C4' energy: -71.395
flat angles P-C4'-P energy: -57.743
tors. eta vs tors. theta energy: -110.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1086.870279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.870279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.870279 (E_RNA)
where:
Base-Base interactions energy: -750.413
where: short stacking energy: -300.588
Base-Backbone interact. energy: 1.423
local terms energy: -337.880412
where:
bonds (distance) C4'-P energy: -60.482
bonds (distance) P-C4' energy: -66.055
flat angles C4'-P-C4' energy: -62.026
flat angles P-C4'-P energy: -52.973
tors. eta vs tors. theta energy: -96.344
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: 272
Temperature: 1.000000
Total energy: -997.801192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.801192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.801192 (E_RNA)
where:
Base-Base interactions energy: -639.699
where: short stacking energy: -290.524
Base-Backbone interact. energy: -0.609
local terms energy: -357.493096
where:
bonds (distance) C4'-P energy: -63.046
bonds (distance) P-C4' energy: -73.585
flat angles C4'-P-C4' energy: -73.885
flat angles P-C4'-P energy: -51.924
tors. eta vs tors. theta energy: -95.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -880.297698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.297698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.297698 (E_RNA)
where:
Base-Base interactions energy: -582.495
where: short stacking energy: -208.916
Base-Backbone interact. energy: 1.944
local terms energy: -299.746439
where:
bonds (distance) C4'-P energy: -56.195
bonds (distance) P-C4' energy: -65.132
flat angles C4'-P-C4' energy: -71.652
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: -63.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -708.293149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.293149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.293149 (E_RNA)
where:
Base-Base interactions energy: -416.919
where: short stacking energy: -189.051
Base-Backbone interact. energy: -1.549
local terms energy: -289.825560
where:
bonds (distance) C4'-P energy: -63.094
bonds (distance) P-C4' energy: -67.796
flat angles C4'-P-C4' energy: -65.529
flat angles P-C4'-P energy: -35.963
tors. eta vs tors. theta energy: -57.444
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: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -573.648440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.648440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.648440 (E_RNA)
where:
Base-Base interactions energy: -350.010
where: short stacking energy: -147.245
Base-Backbone interact. energy: 1.969
local terms energy: -225.606999
where:
bonds (distance) C4'-P energy: -63.767
bonds (distance) P-C4' energy: -52.113
flat angles C4'-P-C4' energy: -58.839
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -26.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -463.334227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.334227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.334227 (E_RNA)
where:
Base-Base interactions energy: -249.672
where: short stacking energy: -110.654
Base-Backbone interact. energy: 2.241
local terms energy: -215.903434
where:
bonds (distance) C4'-P energy: -56.282
bonds (distance) P-C4' energy: -61.634
flat angles C4'-P-C4' energy: -50.500
flat angles P-C4'-P energy: -34.484
tors. eta vs tors. theta energy: -13.004
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: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -310.863588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.863588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.863588 (E_RNA)
where:
Base-Base interactions energy: -107.139
where: short stacking energy: -92.243
Base-Backbone interact. energy: 0.189
local terms energy: -203.912987
where:
bonds (distance) C4'-P energy: -55.001
bonds (distance) P-C4' energy: -68.320
flat angles C4'-P-C4' energy: -47.528
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: 4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -317.651683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.651683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.651683 (E_RNA)
where:
Base-Base interactions energy: -121.546
where: short stacking energy: -54.276
Base-Backbone interact. energy: 0.942
local terms energy: -197.047656
where:
bonds (distance) C4'-P energy: -58.177
bonds (distance) P-C4' energy: -56.869
flat angles C4'-P-C4' energy: -52.981
flat angles P-C4'-P energy: -32.572
tors. eta vs tors. theta energy: 3.552
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: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -258.647158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.647158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.647158 (E_RNA)
where:
Base-Base interactions energy: -81.908
where: short stacking energy: -52.216
Base-Backbone interact. energy: -3.964
local terms energy: -172.774797
where:
bonds (distance) C4'-P energy: -53.982
bonds (distance) P-C4' energy: -59.346
flat angles C4'-P-C4' energy: -51.806
flat angles P-C4'-P energy: -31.648
tors. eta vs tors. theta energy: 24.006
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: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1110.777035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.777035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.777035 (E_RNA)
where:
Base-Base interactions energy: -749.751
where: short stacking energy: -348.216
Base-Backbone interact. energy: 2.668
local terms energy: -363.694140
where:
bonds (distance) C4'-P energy: -66.023
bonds (distance) P-C4' energy: -66.168
flat angles C4'-P-C4' energy: -83.953
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -103.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1101.164762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.164762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.164762 (E_RNA)
where:
Base-Base interactions energy: -766.717
where: short stacking energy: -310.175
Base-Backbone interact. energy: -1.766
local terms energy: -332.681583
where:
bonds (distance) C4'-P energy: -50.979
bonds (distance) P-C4' energy: -64.854
flat angles C4'-P-C4' energy: -74.502
flat angles P-C4'-P energy: -46.524
tors. eta vs tors. theta energy: -95.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1010.036540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.036540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.036540 (E_RNA)
where:
Base-Base interactions energy: -670.028
where: short stacking energy: -289.883
Base-Backbone interact. energy: 0.476
local terms energy: -341.378636
where:
bonds (distance) C4'-P energy: -75.837
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -70.430
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -97.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.894 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -897.666439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.666439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.666439 (E_RNA)
where:
Base-Base interactions energy: -578.219
where: short stacking energy: -250.416
Base-Backbone interact. energy: -1.093
local terms energy: -318.354109
where:
bonds (distance) C4'-P energy: -51.699
bonds (distance) P-C4' energy: -64.245
flat angles C4'-P-C4' energy: -76.860
flat angles P-C4'-P energy: -48.417
tors. eta vs tors. theta energy: -77.132
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: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -724.560650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.560650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.560650 (E_RNA)
where:
Base-Base interactions energy: -456.805
where: short stacking energy: -209.267
Base-Backbone interact. energy: 0.059
local terms energy: -267.814665
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -62.149
flat angles C4'-P-C4' energy: -49.986
flat angles P-C4'-P energy: -36.435
tors. eta vs tors. theta energy: -58.874
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: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -601.349852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.349852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.349852 (E_RNA)
where:
Base-Base interactions energy: -353.856
where: short stacking energy: -158.385
Base-Backbone interact. energy: 1.195
local terms energy: -248.689004
where:
bonds (distance) C4'-P energy: -47.120
bonds (distance) P-C4' energy: -61.688
flat angles C4'-P-C4' energy: -61.387
flat angles P-C4'-P energy: -36.417
tors. eta vs tors. theta energy: -42.077
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: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -486.863247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.863247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.863247 (E_RNA)
where:
Base-Base interactions energy: -260.185
where: short stacking energy: -115.601
Base-Backbone interact. energy: 0.239
local terms energy: -227.719346
where:
bonds (distance) C4'-P energy: -54.239
bonds (distance) P-C4' energy: -56.993
flat angles C4'-P-C4' energy: -58.882
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.802 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -295.195006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.195006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.195006 (E_RNA)
where:
Base-Base interactions energy: -97.388
where: short stacking energy: -72.309
Base-Backbone interact. energy: -1.432
local terms energy: -196.375455
where:
bonds (distance) C4'-P energy: -41.796
bonds (distance) P-C4' energy: -75.525
flat angles C4'-P-C4' energy: -49.933
flat angles P-C4'-P energy: -33.831
tors. eta vs tors. theta energy: 4.709
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -270.840384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.840384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.840384 (E_RNA)
where:
Base-Base interactions energy: -84.644
where: short stacking energy: -78.365
Base-Backbone interact. energy: -1.855
local terms energy: -184.341208
where:
bonds (distance) C4'-P energy: -47.158
bonds (distance) P-C4' energy: -60.091
flat angles C4'-P-C4' energy: -58.981
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: 5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -246.177496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.177496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.177496 (E_RNA)
where:
Base-Base interactions energy: -76.497
where: short stacking energy: -62.333
Base-Backbone interact. energy: -2.916
local terms energy: -166.899716
where:
bonds (distance) C4'-P energy: -52.717
bonds (distance) P-C4' energy: -42.983
flat angles C4'-P-C4' energy: -57.410
flat angles P-C4'-P energy: -29.785
tors. eta vs tors. theta energy: 15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.135 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1104.796595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.796595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.796595 (E_RNA)
where:
Base-Base interactions energy: -775.794
where: short stacking energy: -280.691
Base-Backbone interact. energy: -0.951
local terms energy: -328.052160
where:
bonds (distance) C4'-P energy: -62.969
bonds (distance) P-C4' energy: -65.009
flat angles C4'-P-C4' energy: -66.192
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -91.437
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: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1091.141527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.141527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.141527 (E_RNA)
where:
Base-Base interactions energy: -721.770
where: short stacking energy: -316.326
Base-Backbone interact. energy: 0.114
local terms energy: -369.485324
where:
bonds (distance) C4'-P energy: -71.636
bonds (distance) P-C4' energy: -69.008
flat angles C4'-P-C4' energy: -68.476
flat angles P-C4'-P energy: -54.720
tors. eta vs tors. theta energy: -105.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -980.811261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.811261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.811261 (E_RNA)
where:
Base-Base interactions energy: -661.147
where: short stacking energy: -270.216
Base-Backbone interact. energy: -0.431
local terms energy: -319.233335
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -73.531
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: -93.736
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: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -916.410652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.410652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.410652 (E_RNA)
where:
Base-Base interactions energy: -595.389
where: short stacking energy: -252.949
Base-Backbone interact. energy: -1.090
local terms energy: -319.931131
where:
bonds (distance) C4'-P energy: -68.469
bonds (distance) P-C4' energy: -56.539
flat angles C4'-P-C4' energy: -63.566
flat angles P-C4'-P energy: -49.872
tors. eta vs tors. theta energy: -81.485
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: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -760.362990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.362990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.362990 (E_RNA)
where:
Base-Base interactions energy: -474.486
where: short stacking energy: -189.043
Base-Backbone interact. energy: -0.272
local terms energy: -285.604416
where:
bonds (distance) C4'-P energy: -61.653
bonds (distance) P-C4' energy: -61.577
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -45.248
tors. eta vs tors. theta energy: -56.604
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: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -578.285355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.285355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.285355 (E_RNA)
where:
Base-Base interactions energy: -319.279
where: short stacking energy: -158.612
Base-Backbone interact. energy: -0.191
local terms energy: -258.815377
where:
bonds (distance) C4'-P energy: -50.817
bonds (distance) P-C4' energy: -68.238
flat angles C4'-P-C4' energy: -58.873
flat angles P-C4'-P energy: -45.576
tors. eta vs tors. theta energy: -35.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -498.745280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.745280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.745280 (E_RNA)
where:
Base-Base interactions energy: -271.247
where: short stacking energy: -161.994
Base-Backbone interact. energy: 0.182
local terms energy: -227.680944
where:
bonds (distance) C4'-P energy: -65.396
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -40.836
flat angles P-C4'-P energy: -36.829
tors. eta vs tors. theta energy: -33.551
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: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -304.772876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.772876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.772876 (E_RNA)
where:
Base-Base interactions energy: -122.095
where: short stacking energy: -75.468
Base-Backbone interact. energy: 1.552
local terms energy: -184.229886
where:
bonds (distance) C4'-P energy: -47.195
bonds (distance) P-C4' energy: -60.955
flat angles C4'-P-C4' energy: -55.436
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: 4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -269.603554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.603554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.603554 (E_RNA)
where:
Base-Base interactions energy: -93.984
where: short stacking energy: -70.898
Base-Backbone interact. energy: 4.503
local terms energy: -180.122880
where:
bonds (distance) C4'-P energy: -51.265
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -42.236
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -251.846141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.846141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.846141 (E_RNA)
where:
Base-Base interactions energy: -68.976
where: short stacking energy: -61.284
Base-Backbone interact. energy: -2.721
local terms energy: -180.148975
where:
bonds (distance) C4'-P energy: -60.715
bonds (distance) P-C4' energy: -56.669
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -30.535
tors. eta vs tors. theta energy: 18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1107.563983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.563983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.563983 (E_RNA)
where:
Base-Base interactions energy: -750.790
where: short stacking energy: -295.859
Base-Backbone interact. energy: -1.002
local terms energy: -355.771479
where:
bonds (distance) C4'-P energy: -74.500
bonds (distance) P-C4' energy: -60.291
flat angles C4'-P-C4' energy: -74.302
flat angles P-C4'-P energy: -53.306
tors. eta vs tors. theta energy: -93.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1067.020499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.020499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.020499 (E_RNA)
where:
Base-Base interactions energy: -708.612
where: short stacking energy: -296.861
Base-Backbone interact. energy: -0.508
local terms energy: -357.900774
where:
bonds (distance) C4'-P energy: -65.690
bonds (distance) P-C4' energy: -73.899
flat angles C4'-P-C4' energy: -79.158
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -107.565
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: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -987.102646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.102646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.102646 (E_RNA)
where:
Base-Base interactions energy: -676.527
where: short stacking energy: -291.675
Base-Backbone interact. energy: -1.604
local terms energy: -311.291745
where:
bonds (distance) C4'-P energy: -59.668
bonds (distance) P-C4' energy: -65.653
flat angles C4'-P-C4' energy: -57.279
flat angles P-C4'-P energy: -49.057
tors. eta vs tors. theta energy: -79.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.320 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -906.900974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.900974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.900974 (E_RNA)
where:
Base-Base interactions energy: -599.412
where: short stacking energy: -244.544
Base-Backbone interact. energy: -0.556
local terms energy: -306.932802
where:
bonds (distance) C4'-P energy: -50.182
bonds (distance) P-C4' energy: -68.446
flat angles C4'-P-C4' energy: -71.326
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -75.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -799.266641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.266641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.266641 (E_RNA)
where:
Base-Base interactions energy: -516.926
where: short stacking energy: -230.926
Base-Backbone interact. energy: -1.775
local terms energy: -280.565425
where:
bonds (distance) C4'-P energy: -53.543
bonds (distance) P-C4' energy: -59.035
flat angles C4'-P-C4' energy: -57.139
flat angles P-C4'-P energy: -40.661
tors. eta vs tors. theta energy: -70.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -562.479208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.479208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.479208 (E_RNA)
where:
Base-Base interactions energy: -321.238
where: short stacking energy: -157.490
Base-Backbone interact. energy: -1.125
local terms energy: -240.116745
where:
bonds (distance) C4'-P energy: -48.325
bonds (distance) P-C4' energy: -64.015
flat angles C4'-P-C4' energy: -54.568
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -34.687
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: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -480.837401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.837401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.837401 (E_RNA)
where:
Base-Base interactions energy: -262.272
where: short stacking energy: -137.793
Base-Backbone interact. energy: 0.879
local terms energy: -219.444496
where:
bonds (distance) C4'-P energy: -45.378
bonds (distance) P-C4' energy: -53.383
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -39.714
tors. eta vs tors. theta energy: -23.595
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: 275
Temperature: 1.250000
Total energy: -328.108291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.108291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.108291 (E_RNA)
where:
Base-Base interactions energy: -143.472
where: short stacking energy: -84.891
Base-Backbone interact. energy: 0.118
local terms energy: -184.754706
where:
bonds (distance) C4'-P energy: -57.211
bonds (distance) P-C4' energy: -59.737
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -32.736
tors. eta vs tors. theta energy: 1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -308.445629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.445629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.445629 (E_RNA)
where:
Base-Base interactions energy: -133.734
where: short stacking energy: -94.524
Base-Backbone interact. energy: 0.903
local terms energy: -175.615234
where:
bonds (distance) C4'-P energy: -37.878
bonds (distance) P-C4' energy: -51.455
flat angles C4'-P-C4' energy: -66.892
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: 6.927
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: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -270.688522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.688522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.688522 (E_RNA)
where:
Base-Base interactions energy: -106.876
where: short stacking energy: -71.242
Base-Backbone interact. energy: -0.303
local terms energy: -163.509516
where:
bonds (distance) C4'-P energy: -49.931
bonds (distance) P-C4' energy: -63.001
flat angles C4'-P-C4' energy: -36.002
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: 6.223
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: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1118.857410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.857410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.857410 (E_RNA)
where:
Base-Base interactions energy: -784.600
where: short stacking energy: -311.122
Base-Backbone interact. energy: -2.150
local terms energy: -332.107519
where:
bonds (distance) C4'-P energy: -64.237
bonds (distance) P-C4' energy: -58.994
flat angles C4'-P-C4' energy: -73.643
flat angles P-C4'-P energy: -48.888
tors. eta vs tors. theta energy: -86.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1065.911245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.911245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.911245 (E_RNA)
where:
Base-Base interactions energy: -723.785
where: short stacking energy: -302.703
Base-Backbone interact. energy: -0.275
local terms energy: -341.851417
where:
bonds (distance) C4'-P energy: -64.429
bonds (distance) P-C4' energy: -66.089
flat angles C4'-P-C4' energy: -70.443
flat angles P-C4'-P energy: -41.901
tors. eta vs tors. theta energy: -98.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -935.606283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.606283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.606283 (E_RNA)
where:
Base-Base interactions energy: -617.270
where: short stacking energy: -259.657
Base-Backbone interact. energy: 1.149
local terms energy: -319.485525
where:
bonds (distance) C4'-P energy: -57.987
bonds (distance) P-C4' energy: -62.043
flat angles C4'-P-C4' energy: -70.451
flat angles P-C4'-P energy: -47.609
tors. eta vs tors. theta energy: -81.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -956.783320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.783320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.783320 (E_RNA)
where:
Base-Base interactions energy: -646.069
where: short stacking energy: -270.425
Base-Backbone interact. energy: -1.496
local terms energy: -309.217857
where:
bonds (distance) C4'-P energy: -67.811
bonds (distance) P-C4' energy: -55.415
flat angles C4'-P-C4' energy: -73.740
flat angles P-C4'-P energy: -36.611
tors. eta vs tors. theta energy: -75.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -800.466636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.466636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.466636 (E_RNA)
where:
Base-Base interactions energy: -492.526
where: short stacking energy: -208.849
Base-Backbone interact. energy: 1.686
local terms energy: -309.627145
where:
bonds (distance) C4'-P energy: -65.928
bonds (distance) P-C4' energy: -64.938
flat angles C4'-P-C4' energy: -68.530
flat angles P-C4'-P energy: -46.044
tors. eta vs tors. theta energy: -64.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -605.633688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.633688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.633688 (E_RNA)
where:
Base-Base interactions energy: -354.006
where: short stacking energy: -172.943
Base-Backbone interact. energy: -1.440
local terms energy: -250.188076
where:
bonds (distance) C4'-P energy: -55.742
bonds (distance) P-C4' energy: -59.977
flat angles C4'-P-C4' energy: -58.332
flat angles P-C4'-P energy: -36.197
tors. eta vs tors. theta energy: -39.940
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: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -475.516513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.516513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.516513 (E_RNA)
where:
Base-Base interactions energy: -272.438
where: short stacking energy: -118.900
Base-Backbone interact. energy: -1.713
local terms energy: -201.366173
where:
bonds (distance) C4'-P energy: -45.597
bonds (distance) P-C4' energy: -57.342
flat angles C4'-P-C4' energy: -45.260
flat angles P-C4'-P energy: -34.389
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -318.363268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.363268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.363268 (E_RNA)
where:
Base-Base interactions energy: -128.299
where: short stacking energy: -97.818
Base-Backbone interact. energy: -0.154
local terms energy: -189.909998
where:
bonds (distance) C4'-P energy: -53.732
bonds (distance) P-C4' energy: -55.682
flat angles C4'-P-C4' energy: -53.339
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -289.748268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.748268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.748268 (E_RNA)
where:
Base-Base interactions energy: -120.715
where: short stacking energy: -76.399
Base-Backbone interact. energy: 0.041
local terms energy: -169.073805
where:
bonds (distance) C4'-P energy: -40.608
bonds (distance) P-C4' energy: -57.970
flat angles C4'-P-C4' energy: -56.641
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: 12.253
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: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -260.878516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.878516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.878516 (E_RNA)
where:
Base-Base interactions energy: -78.307
where: short stacking energy: -56.948
Base-Backbone interact. energy: 1.402
local terms energy: -183.974204
where:
bonds (distance) C4'-P energy: -56.639
bonds (distance) P-C4' energy: -61.389
flat angles C4'-P-C4' energy: -44.039
flat angles P-C4'-P energy: -29.393
tors. eta vs tors. theta energy: 7.486
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: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1120.278286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.278286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.278286 (E_RNA)
where:
Base-Base interactions energy: -775.272
where: short stacking energy: -310.558
Base-Backbone interact. energy: -0.074
local terms energy: -344.932510
where:
bonds (distance) C4'-P energy: -66.779
bonds (distance) P-C4' energy: -56.345
flat angles C4'-P-C4' energy: -73.988
flat angles P-C4'-P energy: -42.003
tors. eta vs tors. theta energy: -105.817
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: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1075.487490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.487490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.487490 (E_RNA)
where:
Base-Base interactions energy: -709.985
where: short stacking energy: -319.936
Base-Backbone interact. energy: -0.883
local terms energy: -364.619468
where:
bonds (distance) C4'-P energy: -54.680
bonds (distance) P-C4' energy: -64.965
flat angles C4'-P-C4' energy: -75.509
flat angles P-C4'-P energy: -54.996
tors. eta vs tors. theta energy: -114.470
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: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -946.660728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.660728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.660728 (E_RNA)
where:
Base-Base interactions energy: -623.431
where: short stacking energy: -251.134
Base-Backbone interact. energy: -1.370
local terms energy: -321.859928
where:
bonds (distance) C4'-P energy: -66.945
bonds (distance) P-C4' energy: -64.285
flat angles C4'-P-C4' energy: -74.407
flat angles P-C4'-P energy: -40.875
tors. eta vs tors. theta energy: -75.349
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: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -953.025863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.025863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.025863 (E_RNA)
where:
Base-Base interactions energy: -638.610
where: short stacking energy: -258.745
Base-Backbone interact. energy: -0.393
local terms energy: -314.023028
where:
bonds (distance) C4'-P energy: -61.078
bonds (distance) P-C4' energy: -60.150
flat angles C4'-P-C4' energy: -62.160
flat angles P-C4'-P energy: -45.561
tors. eta vs tors. theta energy: -85.074
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: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -731.895222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.895222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.895222 (E_RNA)
where:
Base-Base interactions energy: -452.166
where: short stacking energy: -197.579
Base-Backbone interact. energy: -1.535
local terms energy: -278.194378
where:
bonds (distance) C4'-P energy: -60.829
bonds (distance) P-C4' energy: -67.442
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -48.795
tors. eta vs tors. theta energy: -41.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -586.716280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.716280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.716280 (E_RNA)
where:
Base-Base interactions energy: -335.022
where: short stacking energy: -137.024
Base-Backbone interact. energy: 0.303
local terms energy: -251.997452
where:
bonds (distance) C4'-P energy: -49.806
bonds (distance) P-C4' energy: -69.622
flat angles C4'-P-C4' energy: -63.994
flat angles P-C4'-P energy: -35.425
tors. eta vs tors. theta energy: -33.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -498.505864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.505864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.505864 (E_RNA)
where:
Base-Base interactions energy: -256.285
where: short stacking energy: -119.398
Base-Backbone interact. energy: -2.535
local terms energy: -239.686174
where:
bonds (distance) C4'-P energy: -62.718
bonds (distance) P-C4' energy: -53.746
flat angles C4'-P-C4' energy: -55.309
flat angles P-C4'-P energy: -43.116
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -315.004210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.004210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.004210 (E_RNA)
where:
Base-Base interactions energy: -134.709
where: short stacking energy: -99.485
Base-Backbone interact. energy: 2.626
local terms energy: -182.921713
where:
bonds (distance) C4'-P energy: -39.924
bonds (distance) P-C4' energy: -59.522
flat angles C4'-P-C4' energy: -55.444
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -277.332199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.332199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.332199 (E_RNA)
where:
Base-Base interactions energy: -95.705
where: short stacking energy: -69.619
Base-Backbone interact. energy: -0.106
local terms energy: -181.520640
where:
bonds (distance) C4'-P energy: -54.457
bonds (distance) P-C4' energy: -67.288
flat angles C4'-P-C4' energy: -43.607
flat angles P-C4'-P energy: -27.507
tors. eta vs tors. theta energy: 11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -279.959390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.959390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.959390 (E_RNA)
where:
Base-Base interactions energy: -84.023
where: short stacking energy: -75.101
Base-Backbone interact. energy: 1.649
local terms energy: -197.585169
where:
bonds (distance) C4'-P energy: -63.237
bonds (distance) P-C4' energy: -61.236
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -32.876
tors. eta vs tors. theta energy: 4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1149.567312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.567312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.567312 (E_RNA)
where:
Base-Base interactions energy: -793.605
where: short stacking energy: -307.626
Base-Backbone interact. energy: 1.761
local terms energy: -357.723665
where:
bonds (distance) C4'-P energy: -60.545
bonds (distance) P-C4' energy: -77.276
flat angles C4'-P-C4' energy: -72.109
flat angles P-C4'-P energy: -48.566
tors. eta vs tors. theta energy: -99.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1076.833482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.833482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.833482 (E_RNA)
where:
Base-Base interactions energy: -715.236
where: short stacking energy: -312.599
Base-Backbone interact. energy: -0.248
local terms energy: -361.350104
where:
bonds (distance) C4'-P energy: -62.071
bonds (distance) P-C4' energy: -65.131
flat angles C4'-P-C4' energy: -70.988
flat angles P-C4'-P energy: -58.869
tors. eta vs tors. theta energy: -104.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -982.125535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.125535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.125535 (E_RNA)
where:
Base-Base interactions energy: -652.039
where: short stacking energy: -286.488
Base-Backbone interact. energy: 0.016
local terms energy: -330.103210
where:
bonds (distance) C4'-P energy: -66.435
bonds (distance) P-C4' energy: -56.270
flat angles C4'-P-C4' energy: -65.921
flat angles P-C4'-P energy: -54.162
tors. eta vs tors. theta energy: -87.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -895.255310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.255310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.255310 (E_RNA)
where:
Base-Base interactions energy: -574.771
where: short stacking energy: -240.977
Base-Backbone interact. energy: -0.871
local terms energy: -319.613153
where:
bonds (distance) C4'-P energy: -67.502
bonds (distance) P-C4' energy: -67.199
flat angles C4'-P-C4' energy: -70.188
flat angles P-C4'-P energy: -40.953
tors. eta vs tors. theta energy: -73.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -769.485119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.485119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.485119 (E_RNA)
where:
Base-Base interactions energy: -494.246
where: short stacking energy: -210.710
Base-Backbone interact. energy: -0.984
local terms energy: -274.254789
where:
bonds (distance) C4'-P energy: -54.129
bonds (distance) P-C4' energy: -68.622
flat angles C4'-P-C4' energy: -55.971
flat angles P-C4'-P energy: -43.119
tors. eta vs tors. theta energy: -52.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -642.152264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.152264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.152264 (E_RNA)
where:
Base-Base interactions energy: -370.853
where: short stacking energy: -175.711
Base-Backbone interact. energy: 1.550
local terms energy: -273.864024
where:
bonds (distance) C4'-P energy: -68.655
bonds (distance) P-C4' energy: -59.191
flat angles C4'-P-C4' energy: -59.798
flat angles P-C4'-P energy: -32.764
tors. eta vs tors. theta energy: -53.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.015 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -343.166250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.166250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.166250 (E_RNA)
where:
Base-Base interactions energy: -149.085
where: short stacking energy: -90.420
Base-Backbone interact. energy: -1.096
local terms energy: -192.985246
where:
bonds (distance) C4'-P energy: -59.651
bonds (distance) P-C4' energy: -59.662
flat angles C4'-P-C4' energy: -50.500
flat angles P-C4'-P energy: -33.126
tors. eta vs tors. theta energy: 9.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -492.978413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.978413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.978413 (E_RNA)
where:
Base-Base interactions energy: -266.341
where: short stacking energy: -153.044
Base-Backbone interact. energy: 0.110
local terms energy: -226.747386
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -58.633
flat angles C4'-P-C4' energy: -55.689
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -29.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -278.085178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.085178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.085178 (E_RNA)
where:
Base-Base interactions energy: -81.098
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.442
local terms energy: -196.545788
where:
bonds (distance) C4'-P energy: -54.607
bonds (distance) P-C4' energy: -65.783
flat angles C4'-P-C4' energy: -62.803
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: 17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -272.033093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.033093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.033093 (E_RNA)
where:
Base-Base interactions energy: -92.509
where: short stacking energy: -51.352
Base-Backbone interact. energy: 0.460
local terms energy: -179.984404
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -61.843
flat angles C4'-P-C4' energy: -47.852
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: 12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1146.956106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.956106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.956106 (E_RNA)
where:
Base-Base interactions energy: -792.333
where: short stacking energy: -318.501
Base-Backbone interact. energy: -1.521
local terms energy: -353.102586
where:
bonds (distance) C4'-P energy: -60.538
bonds (distance) P-C4' energy: -66.870
flat angles C4'-P-C4' energy: -77.438
flat angles P-C4'-P energy: -44.990
tors. eta vs tors. theta energy: -103.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1047.026230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.026230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.026230 (E_RNA)
where:
Base-Base interactions energy: -679.666
where: short stacking energy: -312.330
Base-Backbone interact. energy: -0.645
local terms energy: -366.714488
where:
bonds (distance) C4'-P energy: -69.698
bonds (distance) P-C4' energy: -64.486
flat angles C4'-P-C4' energy: -82.089
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -109.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -969.551910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.551910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.551910 (E_RNA)
where:
Base-Base interactions energy: -635.623
where: short stacking energy: -280.361
Base-Backbone interact. energy: 0.363
local terms energy: -334.292494
where:
bonds (distance) C4'-P energy: -67.043
bonds (distance) P-C4' energy: -65.951
flat angles C4'-P-C4' energy: -68.225
flat angles P-C4'-P energy: -44.806
tors. eta vs tors. theta energy: -88.268
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: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -843.695565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.695565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.695565 (E_RNA)
where:
Base-Base interactions energy: -527.611
where: short stacking energy: -227.249
Base-Backbone interact. energy: -1.493
local terms energy: -314.590822
where:
bonds (distance) C4'-P energy: -61.789
bonds (distance) P-C4' energy: -67.599
flat angles C4'-P-C4' energy: -64.353
flat angles P-C4'-P energy: -54.566
tors. eta vs tors. theta energy: -66.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -783.026618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.026618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.026618 (E_RNA)
where:
Base-Base interactions energy: -477.172
where: short stacking energy: -218.724
Base-Backbone interact. energy: -0.312
local terms energy: -306.102466
where:
bonds (distance) C4'-P energy: -67.481
bonds (distance) P-C4' energy: -65.872
flat angles C4'-P-C4' energy: -64.620
flat angles P-C4'-P energy: -41.627
tors. eta vs tors. theta energy: -66.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.560 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -658.606064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.606064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.606064 (E_RNA)
where:
Base-Base interactions energy: -393.133
where: short stacking energy: -176.422
Base-Backbone interact. energy: -3.324
local terms energy: -262.148925
where:
bonds (distance) C4'-P energy: -61.885
bonds (distance) P-C4' energy: -65.797
flat angles C4'-P-C4' energy: -63.986
flat angles P-C4'-P energy: -26.633
tors. eta vs tors. theta energy: -43.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -411.819571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.819571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.819571 (E_RNA)
where:
Base-Base interactions energy: -190.105
where: short stacking energy: -101.730
Base-Backbone interact. energy: -0.783
local terms energy: -220.931808
where:
bonds (distance) C4'-P energy: -55.018
bonds (distance) P-C4' energy: -56.052
flat angles C4'-P-C4' energy: -57.408
flat angles P-C4'-P energy: -37.958
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -491.500360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.500360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.500360 (E_RNA)
where:
Base-Base interactions energy: -273.388
where: short stacking energy: -144.790
Base-Backbone interact. energy: -0.732
local terms energy: -217.380374
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -61.559
flat angles C4'-P-C4' energy: -52.080
flat angles P-C4'-P energy: -28.693
tors. eta vs tors. theta energy: -26.405
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: 279
Temperature: 1.300000
Total energy: -299.211103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.211103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.211103 (E_RNA)
where:
Base-Base interactions energy: -116.466
where: short stacking energy: -70.934
Base-Backbone interact. energy: -1.121
local terms energy: -181.624100
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -58.650
flat angles C4'-P-C4' energy: -55.507
flat angles P-C4'-P energy: -28.902
tors. eta vs tors. theta energy: 22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -268.380170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.380170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.380170 (E_RNA)
where:
Base-Base interactions energy: -84.562
where: short stacking energy: -53.644
Base-Backbone interact. energy: 1.649
local terms energy: -185.467281
where:
bonds (distance) C4'-P energy: -50.380
bonds (distance) P-C4' energy: -62.512
flat angles C4'-P-C4' energy: -49.738
flat angles P-C4'-P energy: -38.284
tors. eta vs tors. theta energy: 15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1152.410432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.410432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.410432 (E_RNA)
where:
Base-Base interactions energy: -805.719
where: short stacking energy: -318.230
Base-Backbone interact. energy: -3.771
local terms energy: -342.920441
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -70.786
flat angles C4'-P-C4' energy: -66.714
flat angles P-C4'-P energy: -56.521
tors. eta vs tors. theta energy: -92.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1050.357941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.357941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.357941 (E_RNA)
where:
Base-Base interactions energy: -686.632
where: short stacking energy: -305.695
Base-Backbone interact. energy: -0.909
local terms energy: -362.816531
where:
bonds (distance) C4'-P energy: -65.508
bonds (distance) P-C4' energy: -69.177
flat angles C4'-P-C4' energy: -76.399
flat angles P-C4'-P energy: -51.954
tors. eta vs tors. theta energy: -99.779
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: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -982.227326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.227326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.227326 (E_RNA)
where:
Base-Base interactions energy: -654.889
where: short stacking energy: -268.042
Base-Backbone interact. energy: -0.545
local terms energy: -326.793489
where:
bonds (distance) C4'-P energy: -53.713
bonds (distance) P-C4' energy: -71.091
flat angles C4'-P-C4' energy: -67.501
flat angles P-C4'-P energy: -52.722
tors. eta vs tors. theta energy: -81.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -857.590432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.590432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.590432 (E_RNA)
where:
Base-Base interactions energy: -558.756
where: short stacking energy: -259.761
Base-Backbone interact. energy: 0.925
local terms energy: -299.758937
where:
bonds (distance) C4'-P energy: -52.490
bonds (distance) P-C4' energy: -58.044
flat angles C4'-P-C4' energy: -72.616
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -73.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -722.032590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.032590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.032590 (E_RNA)
where:
Base-Base interactions energy: -446.198
where: short stacking energy: -196.750
Base-Backbone interact. energy: -1.743
local terms energy: -274.091752
where:
bonds (distance) C4'-P energy: -62.603
bonds (distance) P-C4' energy: -57.210
flat angles C4'-P-C4' energy: -68.811
flat angles P-C4'-P energy: -38.648
tors. eta vs tors. theta energy: -46.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -621.427305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.427305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.427305 (E_RNA)
where:
Base-Base interactions energy: -373.269
where: short stacking energy: -171.067
Base-Backbone interact. energy: -1.454
local terms energy: -246.704404
where:
bonds (distance) C4'-P energy: -57.240
bonds (distance) P-C4' energy: -54.705
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -34.502
tors. eta vs tors. theta energy: -39.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -558.400296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.400296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.400296 (E_RNA)
where:
Base-Base interactions energy: -301.810
where: short stacking energy: -155.780
Base-Backbone interact. energy: -0.179
local terms energy: -256.411749
where:
bonds (distance) C4'-P energy: -52.312
bonds (distance) P-C4' energy: -66.952
flat angles C4'-P-C4' energy: -52.834
flat angles P-C4'-P energy: -45.713
tors. eta vs tors. theta energy: -38.600
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: 280
Temperature: 1.250000
Total energy: -372.635443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.635443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.635443 (E_RNA)
where:
Base-Base interactions energy: -195.399
where: short stacking energy: -117.268
Base-Backbone interact. energy: 3.249
local terms energy: -180.486099
where:
bonds (distance) C4'-P energy: -42.931
bonds (distance) P-C4' energy: -62.660
flat angles C4'-P-C4' energy: -41.155
flat angles P-C4'-P energy: -27.047
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -289.743447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.743447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.743447 (E_RNA)
where:
Base-Base interactions energy: -107.354
where: short stacking energy: -86.911
Base-Backbone interact. energy: 0.285
local terms energy: -182.674973
where:
bonds (distance) C4'-P energy: -60.538
bonds (distance) P-C4' energy: -56.229
flat angles C4'-P-C4' energy: -47.425
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: 7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -257.636615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.636615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.636615 (E_RNA)
where:
Base-Base interactions energy: -79.171
where: short stacking energy: -72.059
Base-Backbone interact. energy: 2.674
local terms energy: -181.140157
where:
bonds (distance) C4'-P energy: -65.415
bonds (distance) P-C4' energy: -49.964
flat angles C4'-P-C4' energy: -46.507
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: 6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1141.920907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.920907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.920907 (E_RNA)
where:
Base-Base interactions energy: -786.840
where: short stacking energy: -306.294
Base-Backbone interact. energy: -0.487
local terms energy: -354.594033
where:
bonds (distance) C4'-P energy: -61.495
bonds (distance) P-C4' energy: -65.460
flat angles C4'-P-C4' energy: -76.146
flat angles P-C4'-P energy: -48.114
tors. eta vs tors. theta energy: -103.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1049.435854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.435854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.435854 (E_RNA)
where:
Base-Base interactions energy: -688.027
where: short stacking energy: -300.063
Base-Backbone interact. energy: -0.696
local terms energy: -360.713348
where:
bonds (distance) C4'-P energy: -55.099
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -85.924
flat angles P-C4'-P energy: -49.411
tors. eta vs tors. theta energy: -106.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -971.415334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.415334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.415334 (E_RNA)
where:
Base-Base interactions energy: -668.652
where: short stacking energy: -277.339
Base-Backbone interact. energy: -0.459
local terms energy: -302.303922
where:
bonds (distance) C4'-P energy: -49.445
bonds (distance) P-C4' energy: -58.491
flat angles C4'-P-C4' energy: -66.753
flat angles P-C4'-P energy: -42.713
tors. eta vs tors. theta energy: -84.902
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: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -853.129435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.129435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.129435 (E_RNA)
where:
Base-Base interactions energy: -559.863
where: short stacking energy: -249.253
Base-Backbone interact. energy: 0.003
local terms energy: -293.270050
where:
bonds (distance) C4'-P energy: -54.154
bonds (distance) P-C4' energy: -59.234
flat angles C4'-P-C4' energy: -67.312
flat angles P-C4'-P energy: -45.302
tors. eta vs tors. theta energy: -67.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -736.628050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.628050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.628050 (E_RNA)
where:
Base-Base interactions energy: -454.090
where: short stacking energy: -189.257
Base-Backbone interact. energy: -0.344
local terms energy: -282.193461
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -66.357
flat angles C4'-P-C4' energy: -68.525
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: -43.549
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: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -597.388627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.388627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.388627 (E_RNA)
where:
Base-Base interactions energy: -318.016
where: short stacking energy: -163.760
Base-Backbone interact. energy: -0.616
local terms energy: -278.756900
where:
bonds (distance) C4'-P energy: -63.474
bonds (distance) P-C4' energy: -76.870
flat angles C4'-P-C4' energy: -52.394
flat angles P-C4'-P energy: -39.483
tors. eta vs tors. theta energy: -46.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -624.567500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.567500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.567500 (E_RNA)
where:
Base-Base interactions energy: -352.538
where: short stacking energy: -167.966
Base-Backbone interact. energy: -0.529
local terms energy: -271.500633
where:
bonds (distance) C4'-P energy: -63.966
bonds (distance) P-C4' energy: -67.159
flat angles C4'-P-C4' energy: -65.721
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -37.688
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: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -307.623874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.623874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.623874 (E_RNA)
where:
Base-Base interactions energy: -99.802
where: short stacking energy: -95.694
Base-Backbone interact. energy: 1.796
local terms energy: -209.618025
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -64.606
flat angles C4'-P-C4' energy: -55.875
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: -12.343
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: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -300.010482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.010482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.010482 (E_RNA)
where:
Base-Base interactions energy: -107.236
where: short stacking energy: -64.568
Base-Backbone interact. energy: -1.211
local terms energy: -191.563318
where:
bonds (distance) C4'-P energy: -59.739
bonds (distance) P-C4' energy: -61.237
flat angles C4'-P-C4' energy: -54.046
flat angles P-C4'-P energy: -34.260
tors. eta vs tors. theta energy: 17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -263.341296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.341296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.341296 (E_RNA)
where:
Base-Base interactions energy: -89.394
where: short stacking energy: -56.612
Base-Backbone interact. energy: 3.311
local terms energy: -177.258370
where:
bonds (distance) C4'-P energy: -48.873
bonds (distance) P-C4' energy: -66.671
flat angles C4'-P-C4' energy: -38.786
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: 6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1154.739441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.739441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.739441 (E_RNA)
where:
Base-Base interactions energy: -807.684
where: short stacking energy: -310.968
Base-Backbone interact. energy: -2.694
local terms energy: -344.361269
where:
bonds (distance) C4'-P energy: -52.442
bonds (distance) P-C4' energy: -64.254
flat angles C4'-P-C4' energy: -73.701
flat angles P-C4'-P energy: -53.083
tors. eta vs tors. theta energy: -100.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1048.213859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.213859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.213859 (E_RNA)
where:
Base-Base interactions energy: -697.934
where: short stacking energy: -306.265
Base-Backbone interact. energy: 1.152
local terms energy: -351.432179
where:
bonds (distance) C4'-P energy: -67.313
bonds (distance) P-C4' energy: -62.204
flat angles C4'-P-C4' energy: -79.220
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -101.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -964.801411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.801411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.801411 (E_RNA)
where:
Base-Base interactions energy: -655.921
where: short stacking energy: -255.898
Base-Backbone interact. energy: -0.359
local terms energy: -308.520903
where:
bonds (distance) C4'-P energy: -57.475
bonds (distance) P-C4' energy: -61.309
flat angles C4'-P-C4' energy: -64.698
flat angles P-C4'-P energy: -51.688
tors. eta vs tors. theta energy: -73.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -826.642470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.642470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.642470 (E_RNA)
where:
Base-Base interactions energy: -520.987
where: short stacking energy: -240.827
Base-Backbone interact. energy: -0.822
local terms energy: -304.832845
where:
bonds (distance) C4'-P energy: -63.105
bonds (distance) P-C4' energy: -60.683
flat angles C4'-P-C4' energy: -53.556
flat angles P-C4'-P energy: -48.928
tors. eta vs tors. theta energy: -78.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -749.039001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.039001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.039001 (E_RNA)
where:
Base-Base interactions energy: -479.680
where: short stacking energy: -196.080
Base-Backbone interact. energy: -1.990
local terms energy: -267.369124
where:
bonds (distance) C4'-P energy: -46.951
bonds (distance) P-C4' energy: -69.085
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -45.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -618.310506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.310506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.310506 (E_RNA)
where:
Base-Base interactions energy: -342.654
where: short stacking energy: -186.700
Base-Backbone interact. energy: 1.096
local terms energy: -276.752483
where:
bonds (distance) C4'-P energy: -43.289
bonds (distance) P-C4' energy: -61.902
flat angles C4'-P-C4' energy: -68.649
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -59.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -497.824525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.824525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.824525 (E_RNA)
where:
Base-Base interactions energy: -280.326
where: short stacking energy: -126.939
Base-Backbone interact. energy: -2.144
local terms energy: -215.354724
where:
bonds (distance) C4'-P energy: -51.588
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -45.529
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -29.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -296.990013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.990013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.990013 (E_RNA)
where:
Base-Base interactions energy: -89.325
where: short stacking energy: -70.632
Base-Backbone interact. energy: -3.010
local terms energy: -204.654779
where:
bonds (distance) C4'-P energy: -58.421
bonds (distance) P-C4' energy: -60.220
flat angles C4'-P-C4' energy: -65.145
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: 18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -275.727320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.727320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.727320 (E_RNA)
where:
Base-Base interactions energy: -86.398
where: short stacking energy: -66.039
Base-Backbone interact. energy: 4.222
local terms energy: -193.552106
where:
bonds (distance) C4'-P energy: -61.254
bonds (distance) P-C4' energy: -64.367
flat angles C4'-P-C4' energy: -55.114
flat angles P-C4'-P energy: -28.144
tors. eta vs tors. theta energy: 15.327
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: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -264.620587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.620587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.620587 (E_RNA)
where:
Base-Base interactions energy: -74.244
where: short stacking energy: -57.439
Base-Backbone interact. energy: -0.576
local terms energy: -189.800133
where:
bonds (distance) C4'-P energy: -52.208
bonds (distance) P-C4' energy: -63.034
flat angles C4'-P-C4' energy: -60.850
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: 7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1168.310239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.310239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.310239 (E_RNA)
where:
Base-Base interactions energy: -802.434
where: short stacking energy: -305.059
Base-Backbone interact. energy: -1.832
local terms energy: -364.044527
where:
bonds (distance) C4'-P energy: -60.540
bonds (distance) P-C4' energy: -74.476
flat angles C4'-P-C4' energy: -81.802
flat angles P-C4'-P energy: -48.548
tors. eta vs tors. theta energy: -98.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1051.100284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.100284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.100284 (E_RNA)
where:
Base-Base interactions energy: -686.940
where: short stacking energy: -293.641
Base-Backbone interact. energy: 2.434
local terms energy: -366.594186
where:
bonds (distance) C4'-P energy: -67.855
bonds (distance) P-C4' energy: -73.384
flat angles C4'-P-C4' energy: -73.844
flat angles P-C4'-P energy: -44.344
tors. eta vs tors. theta energy: -107.168
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: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -987.416019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.416019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.416019 (E_RNA)
where:
Base-Base interactions energy: -652.138
where: short stacking energy: -281.201
Base-Backbone interact. energy: -0.874
local terms energy: -334.403806
where:
bonds (distance) C4'-P energy: -60.105
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -70.547
flat angles P-C4'-P energy: -42.677
tors. eta vs tors. theta energy: -95.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -830.857340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.857340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.857340 (E_RNA)
where:
Base-Base interactions energy: -528.459
where: short stacking energy: -242.651
Base-Backbone interact. energy: -0.571
local terms energy: -301.827093
where:
bonds (distance) C4'-P energy: -56.717
bonds (distance) P-C4' energy: -64.558
flat angles C4'-P-C4' energy: -72.435
flat angles P-C4'-P energy: -42.724
tors. eta vs tors. theta energy: -65.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -738.037430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.037430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.037430 (E_RNA)
where:
Base-Base interactions energy: -474.480
where: short stacking energy: -182.992
Base-Backbone interact. energy: -0.154
local terms energy: -263.403850
where:
bonds (distance) C4'-P energy: -45.548
bonds (distance) P-C4' energy: -62.315
flat angles C4'-P-C4' energy: -64.941
flat angles P-C4'-P energy: -44.038
tors. eta vs tors. theta energy: -46.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -612.772966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.772966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.772966 (E_RNA)
where:
Base-Base interactions energy: -354.303
where: short stacking energy: -163.501
Base-Backbone interact. energy: 1.668
local terms energy: -260.333653
where:
bonds (distance) C4'-P energy: -60.363
bonds (distance) P-C4' energy: -66.092
flat angles C4'-P-C4' energy: -49.471
flat angles P-C4'-P energy: -44.299
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: 0.195 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -518.508723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.508723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.508723 (E_RNA)
where:
Base-Base interactions energy: -281.632
where: short stacking energy: -130.908
Base-Backbone interact. energy: -1.344
local terms energy: -235.531925
where:
bonds (distance) C4'-P energy: -49.995
bonds (distance) P-C4' energy: -62.244
flat angles C4'-P-C4' energy: -60.358
flat angles P-C4'-P energy: -38.830
tors. eta vs tors. theta energy: -24.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -355.628488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.628488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.628488 (E_RNA)
where:
Base-Base interactions energy: -165.689
where: short stacking energy: -92.420
Base-Backbone interact. energy: 3.367
local terms energy: -193.306204
where:
bonds (distance) C4'-P energy: -55.195
bonds (distance) P-C4' energy: -59.473
flat angles C4'-P-C4' energy: -54.942
flat angles P-C4'-P energy: -17.136
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: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -275.602840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.602840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.602840 (E_RNA)
where:
Base-Base interactions energy: -70.281
where: short stacking energy: -59.532
Base-Backbone interact. energy: -1.303
local terms energy: -204.018693
where:
bonds (distance) C4'-P energy: -65.751
bonds (distance) P-C4' energy: -62.824
flat angles C4'-P-C4' energy: -54.092
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: 10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -241.127512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.127512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.127512 (E_RNA)
where:
Base-Base interactions energy: -59.801
where: short stacking energy: -52.037
Base-Backbone interact. energy: -0.247
local terms energy: -181.079318
where:
bonds (distance) C4'-P energy: -57.923
bonds (distance) P-C4' energy: -50.814
flat angles C4'-P-C4' energy: -49.649
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: 16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1110.768093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.768093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.768093 (E_RNA)
where:
Base-Base interactions energy: -768.612
where: short stacking energy: -308.066
Base-Backbone interact. energy: -2.639
local terms energy: -339.517257
where:
bonds (distance) C4'-P energy: -60.130
bonds (distance) P-C4' energy: -65.694
flat angles C4'-P-C4' energy: -66.110
flat angles P-C4'-P energy: -44.225
tors. eta vs tors. theta energy: -103.358
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: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1036.279759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.279759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.279759 (E_RNA)
where:
Base-Base interactions energy: -675.960
where: short stacking energy: -293.898
Base-Backbone interact. energy: -0.688
local terms energy: -359.631590
where:
bonds (distance) C4'-P energy: -63.958
bonds (distance) P-C4' energy: -60.813
flat angles C4'-P-C4' energy: -75.434
flat angles P-C4'-P energy: -57.970
tors. eta vs tors. theta energy: -101.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -980.255810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.255810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.255810 (E_RNA)
where:
Base-Base interactions energy: -652.570
where: short stacking energy: -275.692
Base-Backbone interact. energy: -1.004
local terms energy: -327.529211
where:
bonds (distance) C4'-P energy: -60.870
bonds (distance) P-C4' energy: -63.394
flat angles C4'-P-C4' energy: -76.546
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -91.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.847 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -827.156165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.156165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.156165 (E_RNA)
where:
Base-Base interactions energy: -515.695
where: short stacking energy: -234.048
Base-Backbone interact. energy: -0.889
local terms energy: -310.571932
where:
bonds (distance) C4'-P energy: -59.768
bonds (distance) P-C4' energy: -68.308
flat angles C4'-P-C4' energy: -69.042
flat angles P-C4'-P energy: -46.396
tors. eta vs tors. theta energy: -67.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -805.717231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.717231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.717231 (E_RNA)
where:
Base-Base interactions energy: -524.219
where: short stacking energy: -240.913
Base-Backbone interact. energy: 0.275
local terms energy: -281.773191
where:
bonds (distance) C4'-P energy: -61.163
bonds (distance) P-C4' energy: -59.634
flat angles C4'-P-C4' energy: -55.548
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -67.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -618.856775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.856775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.856775 (E_RNA)
where:
Base-Base interactions energy: -377.378
where: short stacking energy: -168.125
Base-Backbone interact. energy: -1.017
local terms energy: -240.461738
where:
bonds (distance) C4'-P energy: -61.203
bonds (distance) P-C4' energy: -59.981
flat angles C4'-P-C4' energy: -45.658
flat angles P-C4'-P energy: -45.507
tors. eta vs tors. theta energy: -28.112
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: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -461.882434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.882434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.882434 (E_RNA)
where:
Base-Base interactions energy: -248.566
where: short stacking energy: -121.032
Base-Backbone interact. energy: 4.754
local terms energy: -218.069755
where:
bonds (distance) C4'-P energy: -46.289
bonds (distance) P-C4' energy: -67.147
flat angles C4'-P-C4' energy: -46.668
flat angles P-C4'-P energy: -34.432
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -321.056830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.056830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.056830 (E_RNA)
where:
Base-Base interactions energy: -117.251
where: short stacking energy: -62.574
Base-Backbone interact. energy: 2.123
local terms energy: -205.929435
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -63.252
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -38.464
tors. eta vs tors. theta energy: 1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -286.567544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.567544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.567544 (E_RNA)
where:
Base-Base interactions energy: -96.560
where: short stacking energy: -79.684
Base-Backbone interact. energy: 0.897
local terms energy: -191.598520
where:
bonds (distance) C4'-P energy: -55.626
bonds (distance) P-C4' energy: -60.000
flat angles C4'-P-C4' energy: -49.343
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: 4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.694 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -269.052107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.052107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.052107 (E_RNA)
where:
Base-Base interactions energy: -86.751
where: short stacking energy: -64.274
Base-Backbone interact. energy: -1.003
local terms energy: -181.298634
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -64.678
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -38.552
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: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1143.084206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.084206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.084206 (E_RNA)
where:
Base-Base interactions energy: -778.784
where: short stacking energy: -315.849
Base-Backbone interact. energy: -1.825
local terms energy: -362.475491
where:
bonds (distance) C4'-P energy: -72.906
bonds (distance) P-C4' energy: -67.838
flat angles C4'-P-C4' energy: -71.778
flat angles P-C4'-P energy: -50.285
tors. eta vs tors. theta energy: -99.669
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: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1061.018193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.018193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.018193 (E_RNA)
where:
Base-Base interactions energy: -714.351
where: short stacking energy: -306.041
Base-Backbone interact. energy: -0.484
local terms energy: -346.183638
where:
bonds (distance) C4'-P energy: -63.908
bonds (distance) P-C4' energy: -64.385
flat angles C4'-P-C4' energy: -71.111
flat angles P-C4'-P energy: -46.383
tors. eta vs tors. theta energy: -100.396
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: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -963.354032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.354032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.354032 (E_RNA)
where:
Base-Base interactions energy: -629.490
where: short stacking energy: -267.188
Base-Backbone interact. energy: -0.785
local terms energy: -333.079229
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -71.992
flat angles C4'-P-C4' energy: -73.083
flat angles P-C4'-P energy: -44.765
tors. eta vs tors. theta energy: -81.379
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: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -795.966175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.966175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.966175 (E_RNA)
where:
Base-Base interactions energy: -502.919
where: short stacking energy: -210.709
Base-Backbone interact. energy: -0.532
local terms energy: -292.515762
where:
bonds (distance) C4'-P energy: -62.675
bonds (distance) P-C4' energy: -60.889
flat angles C4'-P-C4' energy: -63.820
flat angles P-C4'-P energy: -50.136
tors. eta vs tors. theta energy: -54.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -835.252725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.252725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.252725 (E_RNA)
where:
Base-Base interactions energy: -543.178
where: short stacking energy: -222.883
Base-Backbone interact. energy: -1.182
local terms energy: -290.892661
where:
bonds (distance) C4'-P energy: -57.304
bonds (distance) P-C4' energy: -57.872
flat angles C4'-P-C4' energy: -56.411
flat angles P-C4'-P energy: -45.292
tors. eta vs tors. theta energy: -74.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -630.004864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.004864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.004864 (E_RNA)
where:
Base-Base interactions energy: -367.277
where: short stacking energy: -172.396
Base-Backbone interact. energy: -0.778
local terms energy: -261.949530
where:
bonds (distance) C4'-P energy: -58.700
bonds (distance) P-C4' energy: -62.599
flat angles C4'-P-C4' energy: -59.968
flat angles P-C4'-P energy: -45.243
tors. eta vs tors. theta energy: -35.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -477.752033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.752033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.752033 (E_RNA)
where:
Base-Base interactions energy: -234.314
where: short stacking energy: -135.409
Base-Backbone interact. energy: -1.064
local terms energy: -242.373374
where:
bonds (distance) C4'-P energy: -55.508
bonds (distance) P-C4' energy: -65.702
flat angles C4'-P-C4' energy: -66.515
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -24.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -290.321691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.321691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.321691 (E_RNA)
where:
Base-Base interactions energy: -79.549
where: short stacking energy: -69.052
Base-Backbone interact. energy: 1.584
local terms energy: -212.356809
where:
bonds (distance) C4'-P energy: -63.983
bonds (distance) P-C4' energy: -73.255
flat angles C4'-P-C4' energy: -52.440
flat angles P-C4'-P energy: -34.615
tors. eta vs tors. theta energy: 11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -283.526908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.526908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.526908 (E_RNA)
where:
Base-Base interactions energy: -86.754
where: short stacking energy: -74.432
Base-Backbone interact. energy: -0.333
local terms energy: -196.439677
where:
bonds (distance) C4'-P energy: -58.806
bonds (distance) P-C4' energy: -60.721
flat angles C4'-P-C4' energy: -43.497
flat angles P-C4'-P energy: -28.925
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -261.727587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.727587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.727587 (E_RNA)
where:
Base-Base interactions energy: -70.366
where: short stacking energy: -65.315
Base-Backbone interact. energy: -0.074
local terms energy: -191.287663
where:
bonds (distance) C4'-P energy: -67.134
bonds (distance) P-C4' energy: -59.186
flat angles C4'-P-C4' energy: -48.001
flat angles P-C4'-P energy: -35.399
tors. eta vs tors. theta energy: 18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1123.921587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.921587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.921587 (E_RNA)
where:
Base-Base interactions energy: -761.128
where: short stacking energy: -304.181
Base-Backbone interact. energy: -1.260
local terms energy: -361.533669
where:
bonds (distance) C4'-P energy: -63.479
bonds (distance) P-C4' energy: -73.302
flat angles C4'-P-C4' energy: -76.362
flat angles P-C4'-P energy: -45.578
tors. eta vs tors. theta energy: -102.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1064.227348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.227348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.227348 (E_RNA)
where:
Base-Base interactions energy: -729.641
where: short stacking energy: -322.470
Base-Backbone interact. energy: -0.750
local terms energy: -333.836637
where:
bonds (distance) C4'-P energy: -65.995
bonds (distance) P-C4' energy: -46.958
flat angles C4'-P-C4' energy: -67.151
flat angles P-C4'-P energy: -46.173
tors. eta vs tors. theta energy: -107.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -993.811828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.811828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.811828 (E_RNA)
where:
Base-Base interactions energy: -658.677
where: short stacking energy: -289.456
Base-Backbone interact. energy: 0.173
local terms energy: -335.308354
where:
bonds (distance) C4'-P energy: -59.172
bonds (distance) P-C4' energy: -71.312
flat angles C4'-P-C4' energy: -66.168
flat angles P-C4'-P energy: -47.759
tors. eta vs tors. theta energy: -90.898
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: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -792.239454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.239454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.239454 (E_RNA)
where:
Base-Base interactions energy: -504.455
where: short stacking energy: -238.993
Base-Backbone interact. energy: -0.813
local terms energy: -286.971806
where:
bonds (distance) C4'-P energy: -51.360
bonds (distance) P-C4' energy: -64.695
flat angles C4'-P-C4' energy: -70.465
flat angles P-C4'-P energy: -34.444
tors. eta vs tors. theta energy: -66.008
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: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -823.298232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.298232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.298232 (E_RNA)
where:
Base-Base interactions energy: -531.060
where: short stacking energy: -222.866
Base-Backbone interact. energy: -0.769
local terms energy: -291.469235
where:
bonds (distance) C4'-P energy: -53.123
bonds (distance) P-C4' energy: -50.040
flat angles C4'-P-C4' energy: -70.543
flat angles P-C4'-P energy: -49.646
tors. eta vs tors. theta energy: -68.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -592.116647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.116647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.116647 (E_RNA)
where:
Base-Base interactions energy: -356.916
where: short stacking energy: -159.904
Base-Backbone interact. energy: 0.293
local terms energy: -235.493440
where:
bonds (distance) C4'-P energy: -61.509
bonds (distance) P-C4' energy: -67.118
flat angles C4'-P-C4' energy: -52.466
flat angles P-C4'-P energy: -28.543
tors. eta vs tors. theta energy: -25.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -418.104162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.104162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.104162 (E_RNA)
where:
Base-Base interactions energy: -206.361
where: short stacking energy: -122.080
Base-Backbone interact. energy: -0.363
local terms energy: -211.380820
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -63.080
flat angles C4'-P-C4' energy: -52.645
flat angles P-C4'-P energy: -30.236
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -288.880161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.880161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.880161 (E_RNA)
where:
Base-Base interactions energy: -84.139
where: short stacking energy: -74.969
Base-Backbone interact. energy: -1.286
local terms energy: -207.083221
where:
bonds (distance) C4'-P energy: -63.130
bonds (distance) P-C4' energy: -63.568
flat angles C4'-P-C4' energy: -51.933
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: 2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.627 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -302.056366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.056366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.056366 (E_RNA)
where:
Base-Base interactions energy: -118.950
where: short stacking energy: -69.889
Base-Backbone interact. energy: -4.927
local terms energy: -178.247733
where:
bonds (distance) C4'-P energy: -59.788
bonds (distance) P-C4' energy: -44.452
flat angles C4'-P-C4' energy: -59.296
flat angles P-C4'-P energy: -31.217
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: 0.068 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -248.112234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.112234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.112234 (E_RNA)
where:
Base-Base interactions energy: -63.140
where: short stacking energy: -58.955
Base-Backbone interact. energy: -0.333
local terms energy: -184.638728
where:
bonds (distance) C4'-P energy: -47.426
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -50.329
flat angles P-C4'-P energy: -31.828
tors. eta vs tors. theta energy: 8.268
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: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1120.923061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.923061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.923061 (E_RNA)
where:
Base-Base interactions energy: -781.900
where: short stacking energy: -308.492
Base-Backbone interact. energy: 5.775
local terms energy: -344.798368
where:
bonds (distance) C4'-P energy: -61.983
bonds (distance) P-C4' energy: -68.798
flat angles C4'-P-C4' energy: -71.281
flat angles P-C4'-P energy: -45.131
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: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1053.006200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.006200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.006200 (E_RNA)
where:
Base-Base interactions energy: -689.551
where: short stacking energy: -299.510
Base-Backbone interact. energy: 0.213
local terms energy: -363.668679
where:
bonds (distance) C4'-P energy: -70.562
bonds (distance) P-C4' energy: -68.847
flat angles C4'-P-C4' energy: -71.647
flat angles P-C4'-P energy: -49.986
tors. eta vs tors. theta energy: -102.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1011.186776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.186776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.186776 (E_RNA)
where:
Base-Base interactions energy: -687.276
where: short stacking energy: -291.021
Base-Backbone interact. energy: -1.038
local terms energy: -322.873065
where:
bonds (distance) C4'-P energy: -62.599
bonds (distance) P-C4' energy: -58.540
flat angles C4'-P-C4' energy: -69.960
flat angles P-C4'-P energy: -47.479
tors. eta vs tors. theta energy: -84.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -884.095690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.095690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.095690 (E_RNA)
where:
Base-Base interactions energy: -565.398
where: short stacking energy: -238.580
Base-Backbone interact. energy: -0.271
local terms energy: -318.427661
where:
bonds (distance) C4'-P energy: -60.266
bonds (distance) P-C4' energy: -67.539
flat angles C4'-P-C4' energy: -73.202
flat angles P-C4'-P energy: -47.795
tors. eta vs tors. theta energy: -69.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -784.034719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.034719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.034719 (E_RNA)
where:
Base-Base interactions energy: -520.696
where: short stacking energy: -222.097
Base-Backbone interact. energy: 0.413
local terms energy: -263.750985
where:
bonds (distance) C4'-P energy: -54.376
bonds (distance) P-C4' energy: -54.499
flat angles C4'-P-C4' energy: -57.053
flat angles P-C4'-P energy: -37.402
tors. eta vs tors. theta energy: -60.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -578.664334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.664334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.664334 (E_RNA)
where:
Base-Base interactions energy: -329.254
where: short stacking energy: -164.662
Base-Backbone interact. energy: 4.750
local terms energy: -254.160112
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -63.462
flat angles C4'-P-C4' energy: -49.234
flat angles P-C4'-P energy: -41.552
tors. eta vs tors. theta energy: -50.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -436.333175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.333175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.333175 (E_RNA)
where:
Base-Base interactions energy: -225.810
where: short stacking energy: -116.775
Base-Backbone interact. energy: 2.483
local terms energy: -213.006079
where:
bonds (distance) C4'-P energy: -56.469
bonds (distance) P-C4' energy: -61.123
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -30.788
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: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -310.941443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.941443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.941443 (E_RNA)
where:
Base-Base interactions energy: -128.501
where: short stacking energy: -67.887
Base-Backbone interact. energy: 0.641
local terms energy: -183.081610
where:
bonds (distance) C4'-P energy: -60.300
bonds (distance) P-C4' energy: -67.584
flat angles C4'-P-C4' energy: -41.384
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: 14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -292.559856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.559856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.559856 (E_RNA)
where:
Base-Base interactions energy: -114.402
where: short stacking energy: -73.942
Base-Backbone interact. energy: 0.462
local terms energy: -178.619878
where:
bonds (distance) C4'-P energy: -61.339
bonds (distance) P-C4' energy: -64.217
flat angles C4'-P-C4' energy: -53.898
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: 13.903
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: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -261.213913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.213913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.213913 (E_RNA)
where:
Base-Base interactions energy: -83.710
where: short stacking energy: -58.475
Base-Backbone interact. energy: -0.988
local terms energy: -176.515526
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -61.418
flat angles C4'-P-C4' energy: -61.477
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: 17.906
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: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1118.222358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.222358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.222358 (E_RNA)
where:
Base-Base interactions energy: -774.797
where: short stacking energy: -312.912
Base-Backbone interact. energy: -0.980
local terms energy: -342.445906
where:
bonds (distance) C4'-P energy: -68.807
bonds (distance) P-C4' energy: -61.080
flat angles C4'-P-C4' energy: -74.590
flat angles P-C4'-P energy: -45.958
tors. eta vs tors. theta energy: -92.012
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: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1073.597957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.597957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.597957 (E_RNA)
where:
Base-Base interactions energy: -707.190
where: short stacking energy: -329.419
Base-Backbone interact. energy: 1.078
local terms energy: -367.485789
where:
bonds (distance) C4'-P energy: -65.497
bonds (distance) P-C4' energy: -72.028
flat angles C4'-P-C4' energy: -66.058
flat angles P-C4'-P energy: -51.010
tors. eta vs tors. theta energy: -112.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -981.090112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.090112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.090112 (E_RNA)
where:
Base-Base interactions energy: -655.648
where: short stacking energy: -274.785
Base-Backbone interact. energy: -1.988
local terms energy: -323.454640
where:
bonds (distance) C4'-P energy: -64.049
bonds (distance) P-C4' energy: -59.689
flat angles C4'-P-C4' energy: -67.556
flat angles P-C4'-P energy: -41.457
tors. eta vs tors. theta energy: -90.703
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: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -900.233756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.233756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.233756 (E_RNA)
where:
Base-Base interactions energy: -593.084
where: short stacking energy: -250.750
Base-Backbone interact. energy: -1.627
local terms energy: -305.523277
where:
bonds (distance) C4'-P energy: -60.931
bonds (distance) P-C4' energy: -62.188
flat angles C4'-P-C4' energy: -53.532
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -81.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -762.635676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.635676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.635676 (E_RNA)
where:
Base-Base interactions energy: -482.199
where: short stacking energy: -204.256
Base-Backbone interact. energy: -0.965
local terms energy: -279.471835
where:
bonds (distance) C4'-P energy: -62.915
bonds (distance) P-C4' energy: -66.889
flat angles C4'-P-C4' energy: -57.152
flat angles P-C4'-P energy: -37.825
tors. eta vs tors. theta energy: -54.691
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: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -569.444127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.444127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.444127 (E_RNA)
where:
Base-Base interactions energy: -315.182
where: short stacking energy: -165.881
Base-Backbone interact. energy: -0.526
local terms energy: -253.736146
where:
bonds (distance) C4'-P energy: -54.377
bonds (distance) P-C4' energy: -65.565
flat angles C4'-P-C4' energy: -62.994
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -33.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -317.649538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.649538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.649538 (E_RNA)
where:
Base-Base interactions energy: -103.944
where: short stacking energy: -99.567
Base-Backbone interact. energy: 8.138
local terms energy: -221.844020
where:
bonds (distance) C4'-P energy: -52.647
bonds (distance) P-C4' energy: -69.820
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -37.059
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -344.476068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.476068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.476068 (E_RNA)
where:
Base-Base interactions energy: -137.639
where: short stacking energy: -82.427
Base-Backbone interact. energy: 3.617
local terms energy: -210.454872
where:
bonds (distance) C4'-P energy: -45.367
bonds (distance) P-C4' energy: -66.339
flat angles C4'-P-C4' energy: -56.414
flat angles P-C4'-P energy: -41.140
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -266.140625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.140625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.140625 (E_RNA)
where:
Base-Base interactions energy: -82.504
where: short stacking energy: -63.479
Base-Backbone interact. energy: 0.422
local terms energy: -184.059148
where:
bonds (distance) C4'-P energy: -50.819
bonds (distance) P-C4' energy: -60.035
flat angles C4'-P-C4' energy: -48.330
flat angles P-C4'-P energy: -30.602
tors. eta vs tors. theta energy: 5.727
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: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -260.108059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.108059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.108059 (E_RNA)
where:
Base-Base interactions energy: -82.807
where: short stacking energy: -71.579
Base-Backbone interact. energy: -2.214
local terms energy: -175.086257
where:
bonds (distance) C4'-P energy: -56.916
bonds (distance) P-C4' energy: -55.921
flat angles C4'-P-C4' energy: -43.706
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: 12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1114.246754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.246754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.246754 (E_RNA)
where:
Base-Base interactions energy: -755.018
where: short stacking energy: -307.404
Base-Backbone interact. energy: -2.457
local terms energy: -356.771305
where:
bonds (distance) C4'-P energy: -76.718
bonds (distance) P-C4' energy: -46.574
flat angles C4'-P-C4' energy: -78.673
flat angles P-C4'-P energy: -48.656
tors. eta vs tors. theta energy: -106.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1040.971977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.971977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.971977 (E_RNA)
where:
Base-Base interactions energy: -695.093
where: short stacking energy: -301.092
Base-Backbone interact. energy: -0.681
local terms energy: -345.198048
where:
bonds (distance) C4'-P energy: -62.775
bonds (distance) P-C4' energy: -62.495
flat angles C4'-P-C4' energy: -74.352
flat angles P-C4'-P energy: -43.803
tors. eta vs tors. theta energy: -101.774
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: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1000.385107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.385107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.385107 (E_RNA)
where:
Base-Base interactions energy: -663.258
where: short stacking energy: -269.999
Base-Backbone interact. energy: -1.020
local terms energy: -336.107336
where:
bonds (distance) C4'-P energy: -61.654
bonds (distance) P-C4' energy: -63.555
flat angles C4'-P-C4' energy: -71.383
flat angles P-C4'-P energy: -50.947
tors. eta vs tors. theta energy: -88.569
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: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -910.937463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.937463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.937463 (E_RNA)
where:
Base-Base interactions energy: -589.101
where: short stacking energy: -268.318
Base-Backbone interact. energy: -1.030
local terms energy: -320.806950
where:
bonds (distance) C4'-P energy: -64.420
bonds (distance) P-C4' energy: -68.676
flat angles C4'-P-C4' energy: -70.946
flat angles P-C4'-P energy: -36.875
tors. eta vs tors. theta energy: -79.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -742.554246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.554246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.554246 (E_RNA)
where:
Base-Base interactions energy: -443.762
where: short stacking energy: -195.407
Base-Backbone interact. energy: -1.840
local terms energy: -296.952134
where:
bonds (distance) C4'-P energy: -68.045
bonds (distance) P-C4' energy: -63.318
flat angles C4'-P-C4' energy: -67.182
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: -58.215
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: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -559.184941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.184941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.184941 (E_RNA)
where:
Base-Base interactions energy: -310.787
where: short stacking energy: -158.098
Base-Backbone interact. energy: -0.024
local terms energy: -248.374747
where:
bonds (distance) C4'-P energy: -54.330
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -66.394
flat angles P-C4'-P energy: -40.995
tors. eta vs tors. theta energy: -33.418
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: 289
Temperature: 1.200000
Total energy: -345.902259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.902259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.902259 (E_RNA)
where:
Base-Base interactions energy: -122.317
where: short stacking energy: -80.896
Base-Backbone interact. energy: -1.917
local terms energy: -221.668173
where:
bonds (distance) C4'-P energy: -58.775
bonds (distance) P-C4' energy: -71.057
flat angles C4'-P-C4' energy: -61.521
flat angles P-C4'-P energy: -30.068
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -351.649469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.649469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.649469 (E_RNA)
where:
Base-Base interactions energy: -147.442
where: short stacking energy: -116.289
Base-Backbone interact. energy: 0.274
local terms energy: -204.481954
where:
bonds (distance) C4'-P energy: -48.222
bonds (distance) P-C4' energy: -60.653
flat angles C4'-P-C4' energy: -52.676
flat angles P-C4'-P energy: -35.267
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -307.439250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.439250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.439250 (E_RNA)
where:
Base-Base interactions energy: -152.966
where: short stacking energy: -89.483
Base-Backbone interact. energy: -0.846
local terms energy: -153.627385
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -45.104
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: 12.854
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: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -248.673129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.673129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.673129 (E_RNA)
where:
Base-Base interactions energy: -70.876
where: short stacking energy: -60.234
Base-Backbone interact. energy: 0.453
local terms energy: -178.250729
where:
bonds (distance) C4'-P energy: -54.306
bonds (distance) P-C4' energy: -55.645
flat angles C4'-P-C4' energy: -55.510
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: 12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1108.485575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.485575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.485575 (E_RNA)
where:
Base-Base interactions energy: -742.697
where: short stacking energy: -292.799
Base-Backbone interact. energy: -2.092
local terms energy: -363.697111
where:
bonds (distance) C4'-P energy: -65.020
bonds (distance) P-C4' energy: -72.341
flat angles C4'-P-C4' energy: -80.171
flat angles P-C4'-P energy: -52.571
tors. eta vs tors. theta energy: -93.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1065.966704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.966704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.966704 (E_RNA)
where:
Base-Base interactions energy: -723.299
where: short stacking energy: -315.305
Base-Backbone interact. energy: 0.037
local terms energy: -342.705240
where:
bonds (distance) C4'-P energy: -57.045
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -72.983
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -105.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -985.891362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.891362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.891362 (E_RNA)
where:
Base-Base interactions energy: -654.088
where: short stacking energy: -270.227
Base-Backbone interact. energy: -0.895
local terms energy: -330.913328
where:
bonds (distance) C4'-P energy: -63.309
bonds (distance) P-C4' energy: -64.369
flat angles C4'-P-C4' energy: -75.101
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -82.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.006 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -858.131119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.131119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.131119 (E_RNA)
where:
Base-Base interactions energy: -563.536
where: short stacking energy: -227.048
Base-Backbone interact. energy: 4.688
local terms energy: -299.282615
where:
bonds (distance) C4'-P energy: -63.040
bonds (distance) P-C4' energy: -63.978
flat angles C4'-P-C4' energy: -67.406
flat angles P-C4'-P energy: -43.529
tors. eta vs tors. theta energy: -61.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -745.541873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.541873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.541873 (E_RNA)
where:
Base-Base interactions energy: -456.973
where: short stacking energy: -179.225
Base-Backbone interact. energy: -0.455
local terms energy: -288.113160
where:
bonds (distance) C4'-P energy: -61.677
bonds (distance) P-C4' energy: -71.593
flat angles C4'-P-C4' energy: -63.995
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -48.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -567.977691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.977691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.977691 (E_RNA)
where:
Base-Base interactions energy: -307.877
where: short stacking energy: -171.444
Base-Backbone interact. energy: 0.732
local terms energy: -261.618351
where:
bonds (distance) C4'-P energy: -69.368
bonds (distance) P-C4' energy: -63.637
flat angles C4'-P-C4' energy: -48.101
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -43.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.786 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -328.497047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.497047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.497047 (E_RNA)
where:
Base-Base interactions energy: -106.467
where: short stacking energy: -92.991
Base-Backbone interact. energy: 1.308
local terms energy: -223.337499
where:
bonds (distance) C4'-P energy: -60.956
bonds (distance) P-C4' energy: -68.196
flat angles C4'-P-C4' energy: -42.335
flat angles P-C4'-P energy: -33.310
tors. eta vs tors. theta energy: -18.541
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: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -316.617044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.617044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.617044 (E_RNA)
where:
Base-Base interactions energy: -142.305
where: short stacking energy: -94.360
Base-Backbone interact. energy: 0.580
local terms energy: -174.892540
where:
bonds (distance) C4'-P energy: -53.964
bonds (distance) P-C4' energy: -43.652
flat angles C4'-P-C4' energy: -46.994
flat angles P-C4'-P energy: -36.214
tors. eta vs tors. theta energy: 5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -305.234894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.234894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.234894 (E_RNA)
where:
Base-Base interactions energy: -109.608
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.305
local terms energy: -195.321720
where:
bonds (distance) C4'-P energy: -61.497
bonds (distance) P-C4' energy: -65.621
flat angles C4'-P-C4' energy: -34.767
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: 4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -253.574897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.574897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.574897 (E_RNA)
where:
Base-Base interactions energy: -63.497
where: short stacking energy: -47.651
Base-Backbone interact. energy: -2.863
local terms energy: -187.214232
where:
bonds (distance) C4'-P energy: -68.086
bonds (distance) P-C4' energy: -55.622
flat angles C4'-P-C4' energy: -40.464
flat angles P-C4'-P energy: -31.811
tors. eta vs tors. theta energy: 8.769
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: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1128.025574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.025574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.025574 (E_RNA)
where:
Base-Base interactions energy: -776.735
where: short stacking energy: -306.446
Base-Backbone interact. energy: -1.387
local terms energy: -349.904128
where:
bonds (distance) C4'-P energy: -62.286
bonds (distance) P-C4' energy: -67.062
flat angles C4'-P-C4' energy: -74.322
flat angles P-C4'-P energy: -51.834
tors. eta vs tors. theta energy: -94.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1073.583573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.583573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.583573 (E_RNA)
where:
Base-Base interactions energy: -711.265
where: short stacking energy: -309.235
Base-Backbone interact. energy: 0.341
local terms energy: -362.659785
where:
bonds (distance) C4'-P energy: -56.415
bonds (distance) P-C4' energy: -65.691
flat angles C4'-P-C4' energy: -74.722
flat angles P-C4'-P energy: -59.486
tors. eta vs tors. theta energy: -106.346
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: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -991.259928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.259928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.259928 (E_RNA)
where:
Base-Base interactions energy: -657.403
where: short stacking energy: -274.849
Base-Backbone interact. energy: -2.371
local terms energy: -331.486416
where:
bonds (distance) C4'-P energy: -68.296
bonds (distance) P-C4' energy: -65.560
flat angles C4'-P-C4' energy: -63.359
flat angles P-C4'-P energy: -41.417
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: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -908.067931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.067931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.067931 (E_RNA)
where:
Base-Base interactions energy: -577.485
where: short stacking energy: -265.539
Base-Backbone interact. energy: -1.255
local terms energy: -329.327946
where:
bonds (distance) C4'-P energy: -62.982
bonds (distance) P-C4' energy: -64.502
flat angles C4'-P-C4' energy: -73.203
flat angles P-C4'-P energy: -46.081
tors. eta vs tors. theta energy: -82.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -744.612509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.612509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.612509 (E_RNA)
where:
Base-Base interactions energy: -455.146
where: short stacking energy: -217.791
Base-Backbone interact. energy: -0.463
local terms energy: -289.003429
where:
bonds (distance) C4'-P energy: -64.297
bonds (distance) P-C4' energy: -64.016
flat angles C4'-P-C4' energy: -69.357
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -52.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -607.775478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.775478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.775478 (E_RNA)
where:
Base-Base interactions energy: -366.797
where: short stacking energy: -177.857
Base-Backbone interact. energy: -0.623
local terms energy: -240.355486
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -66.425
flat angles C4'-P-C4' energy: -56.507
flat angles P-C4'-P energy: -36.078
tors. eta vs tors. theta energy: -33.059
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: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -342.103720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.103720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.103720 (E_RNA)
where:
Base-Base interactions energy: -132.028
where: short stacking energy: -87.075
Base-Backbone interact. energy: 1.990
local terms energy: -212.066001
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -64.520
flat angles C4'-P-C4' energy: -59.822
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -303.563279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.563279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.563279 (E_RNA)
where:
Base-Base interactions energy: -124.934
where: short stacking energy: -82.474
Base-Backbone interact. energy: -1.025
local terms energy: -177.605036
where:
bonds (distance) C4'-P energy: -60.105
bonds (distance) P-C4' energy: -56.718
flat angles C4'-P-C4' energy: -40.058
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: 12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -271.990167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.990167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.990167 (E_RNA)
where:
Base-Base interactions energy: -79.716
where: short stacking energy: -68.025
Base-Backbone interact. energy: -0.780
local terms energy: -191.493977
where:
bonds (distance) C4'-P energy: -63.443
bonds (distance) P-C4' energy: -61.711
flat angles C4'-P-C4' energy: -40.217
flat angles P-C4'-P energy: -34.288
tors. eta vs tors. theta energy: 8.165
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: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -262.502166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.502166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.502166 (E_RNA)
where:
Base-Base interactions energy: -93.180
where: short stacking energy: -61.284
Base-Backbone interact. energy: -1.299
local terms energy: -168.023251
where:
bonds (distance) C4'-P energy: -61.437
bonds (distance) P-C4' energy: -58.239
flat angles C4'-P-C4' energy: -43.633
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: 12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1086.038049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.038049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.038049 (E_RNA)
where:
Base-Base interactions energy: -719.833
where: short stacking energy: -317.768
Base-Backbone interact. energy: -0.826
local terms energy: -365.379883
where:
bonds (distance) C4'-P energy: -64.997
bonds (distance) P-C4' energy: -65.832
flat angles C4'-P-C4' energy: -65.787
flat angles P-C4'-P energy: -52.331
tors. eta vs tors. theta energy: -116.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1103.036694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.036694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.036694 (E_RNA)
where:
Base-Base interactions energy: -763.478
where: short stacking energy: -291.704
Base-Backbone interact. energy: -2.612
local terms energy: -336.947326
where:
bonds (distance) C4'-P energy: -69.078
bonds (distance) P-C4' energy: -67.835
flat angles C4'-P-C4' energy: -70.676
flat angles P-C4'-P energy: -38.940
tors. eta vs tors. theta energy: -90.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -988.548098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.548098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.548098 (E_RNA)
where:
Base-Base interactions energy: -656.120
where: short stacking energy: -284.666
Base-Backbone interact. energy: -1.547
local terms energy: -331.536450
where:
bonds (distance) C4'-P energy: -57.095
bonds (distance) P-C4' energy: -69.587
flat angles C4'-P-C4' energy: -75.339
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -87.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.656 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -918.599806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.599806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.599806 (E_RNA)
where:
Base-Base interactions energy: -590.001
where: short stacking energy: -268.653
Base-Backbone interact. energy: -0.625
local terms energy: -327.973607
where:
bonds (distance) C4'-P energy: -54.433
bonds (distance) P-C4' energy: -58.900
flat angles C4'-P-C4' energy: -77.781
flat angles P-C4'-P energy: -51.550
tors. eta vs tors. theta energy: -85.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -758.931890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.931890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.931890 (E_RNA)
where:
Base-Base interactions energy: -480.084
where: short stacking energy: -218.654
Base-Backbone interact. energy: 0.187
local terms energy: -279.034270
where:
bonds (distance) C4'-P energy: -51.249
bonds (distance) P-C4' energy: -64.058
flat angles C4'-P-C4' energy: -66.104
flat angles P-C4'-P energy: -36.610
tors. eta vs tors. theta energy: -61.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -628.865821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.865821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.865821 (E_RNA)
where:
Base-Base interactions energy: -371.355
where: short stacking energy: -182.246
Base-Backbone interact. energy: 0.044
local terms energy: -257.554439
where:
bonds (distance) C4'-P energy: -51.029
bonds (distance) P-C4' energy: -60.455
flat angles C4'-P-C4' energy: -55.112
flat angles P-C4'-P energy: -39.935
tors. eta vs tors. theta energy: -51.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -342.088191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.088191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.088191 (E_RNA)
where:
Base-Base interactions energy: -121.653
where: short stacking energy: -112.786
Base-Backbone interact. energy: -0.431
local terms energy: -220.003323
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -53.539
flat angles C4'-P-C4' energy: -50.084
flat angles P-C4'-P energy: -44.414
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -317.014188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.014188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.014188 (E_RNA)
where:
Base-Base interactions energy: -121.609
where: short stacking energy: -73.735
Base-Backbone interact. energy: -2.115
local terms energy: -193.290012
where:
bonds (distance) C4'-P energy: -62.827
bonds (distance) P-C4' energy: -53.135
flat angles C4'-P-C4' energy: -55.826
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: 18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -293.077480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.077480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.077480 (E_RNA)
where:
Base-Base interactions energy: -109.249
where: short stacking energy: -91.662
Base-Backbone interact. energy: -1.368
local terms energy: -182.461247
where:
bonds (distance) C4'-P energy: -57.937
bonds (distance) P-C4' energy: -61.100
flat angles C4'-P-C4' energy: -41.097
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: 9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -268.716656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.716656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.716656 (E_RNA)
where:
Base-Base interactions energy: -87.281
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.395
local terms energy: -181.041062
where:
bonds (distance) C4'-P energy: -57.158
bonds (distance) P-C4' energy: -57.668
flat angles C4'-P-C4' energy: -51.289
flat angles P-C4'-P energy: -31.622
tors. eta vs tors. theta energy: 16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1096.387456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.387456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.387456 (E_RNA)
where:
Base-Base interactions energy: -736.107
where: short stacking energy: -328.296
Base-Backbone interact. energy: -1.156
local terms energy: -359.123854
where:
bonds (distance) C4'-P energy: -65.531
bonds (distance) P-C4' energy: -67.479
flat angles C4'-P-C4' energy: -69.596
flat angles P-C4'-P energy: -48.813
tors. eta vs tors. theta energy: -107.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1096.291542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.291542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.291542 (E_RNA)
where:
Base-Base interactions energy: -746.305
where: short stacking energy: -295.042
Base-Backbone interact. energy: -0.291
local terms energy: -349.695033
where:
bonds (distance) C4'-P energy: -59.576
bonds (distance) P-C4' energy: -73.961
flat angles C4'-P-C4' energy: -71.681
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -99.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -978.526924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.526924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.526924 (E_RNA)
where:
Base-Base interactions energy: -627.143
where: short stacking energy: -264.842
Base-Backbone interact. energy: -1.264
local terms energy: -350.119897
where:
bonds (distance) C4'-P energy: -67.346
bonds (distance) P-C4' energy: -73.176
flat angles C4'-P-C4' energy: -70.300
flat angles P-C4'-P energy: -53.107
tors. eta vs tors. theta energy: -86.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -904.145245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.145245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.145245 (E_RNA)
where:
Base-Base interactions energy: -601.666
where: short stacking energy: -263.675
Base-Backbone interact. energy: -0.422
local terms energy: -302.057486
where:
bonds (distance) C4'-P energy: -61.474
bonds (distance) P-C4' energy: -60.256
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -35.885
tors. eta vs tors. theta energy: -79.511
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: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -781.342318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.342318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.342318 (E_RNA)
where:
Base-Base interactions energy: -476.090
where: short stacking energy: -225.681
Base-Backbone interact. energy: -2.106
local terms energy: -303.146311
where:
bonds (distance) C4'-P energy: -64.332
bonds (distance) P-C4' energy: -62.448
flat angles C4'-P-C4' energy: -70.492
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: -62.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -599.557172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.557172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.557172 (E_RNA)
where:
Base-Base interactions energy: -320.498
where: short stacking energy: -164.291
Base-Backbone interact. energy: 2.077
local terms energy: -281.136908
where:
bonds (distance) C4'-P energy: -51.310
bonds (distance) P-C4' energy: -61.403
flat angles C4'-P-C4' energy: -72.721
flat angles P-C4'-P energy: -44.578
tors. eta vs tors. theta energy: -51.124
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: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -326.850731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.850731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.850731 (E_RNA)
where:
Base-Base interactions energy: -131.047
where: short stacking energy: -96.941
Base-Backbone interact. energy: -2.048
local terms energy: -193.754935
where:
bonds (distance) C4'-P energy: -64.446
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -44.170
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -302.797932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.797932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.797932 (E_RNA)
where:
Base-Base interactions energy: -127.925
where: short stacking energy: -78.345
Base-Backbone interact. energy: 1.777
local terms energy: -176.650502
where:
bonds (distance) C4'-P energy: -58.287
bonds (distance) P-C4' energy: -53.326
flat angles C4'-P-C4' energy: -53.927
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: 9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -278.310804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.310804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.310804 (E_RNA)
where:
Base-Base interactions energy: -91.530
where: short stacking energy: -67.749
Base-Backbone interact. energy: 1.668
local terms energy: -188.449247
where:
bonds (distance) C4'-P energy: -60.045
bonds (distance) P-C4' energy: -67.743
flat angles C4'-P-C4' energy: -45.973
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: 12.732
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: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -260.753128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.753128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.753128 (E_RNA)
where:
Base-Base interactions energy: -70.626
where: short stacking energy: -63.893
Base-Backbone interact. energy: 0.947
local terms energy: -191.074341
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -62.116
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: 4.366
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: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1101.989583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.989583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.989583 (E_RNA)
where:
Base-Base interactions energy: -755.977
where: short stacking energy: -304.595
Base-Backbone interact. energy: -0.199
local terms energy: -345.814177
where:
bonds (distance) C4'-P energy: -67.626
bonds (distance) P-C4' energy: -59.794
flat angles C4'-P-C4' energy: -71.977
flat angles P-C4'-P energy: -48.322
tors. eta vs tors. theta energy: -98.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1042.705127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.705127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.705127 (E_RNA)
where:
Base-Base interactions energy: -682.927
where: short stacking energy: -295.192
Base-Backbone interact. energy: -0.059
local terms energy: -359.719501
where:
bonds (distance) C4'-P energy: -74.818
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -70.369
flat angles P-C4'-P energy: -46.943
tors. eta vs tors. theta energy: -99.957
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: 294
Temperature: 1.000000
Total energy: -985.828219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.828219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.828219 (E_RNA)
where:
Base-Base interactions energy: -657.302
where: short stacking energy: -278.776
Base-Backbone interact. energy: -0.317
local terms energy: -328.209006
where:
bonds (distance) C4'-P energy: -62.044
bonds (distance) P-C4' energy: -62.535
flat angles C4'-P-C4' energy: -65.039
flat angles P-C4'-P energy: -44.082
tors. eta vs tors. theta energy: -94.508
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: 294
Temperature: 1.050000
Total energy: -901.376788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.376788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.376788 (E_RNA)
where:
Base-Base interactions energy: -573.158
where: short stacking energy: -238.613
Base-Backbone interact. energy: 1.093
local terms energy: -329.311539
where:
bonds (distance) C4'-P energy: -64.456
bonds (distance) P-C4' energy: -66.986
flat angles C4'-P-C4' energy: -75.745
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -76.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -785.365388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.365388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.365388 (E_RNA)
where:
Base-Base interactions energy: -494.366
where: short stacking energy: -219.816
Base-Backbone interact. energy: -0.984
local terms energy: -290.015985
where:
bonds (distance) C4'-P energy: -64.837
bonds (distance) P-C4' energy: -65.545
flat angles C4'-P-C4' energy: -67.687
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -59.172
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: 294
Temperature: 1.150000
Total energy: -566.655457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.655457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.655457 (E_RNA)
where:
Base-Base interactions energy: -314.356
where: short stacking energy: -171.606
Base-Backbone interact. energy: -0.346
local terms energy: -251.953060
where:
bonds (distance) C4'-P energy: -46.618
bonds (distance) P-C4' energy: -66.932
flat angles C4'-P-C4' energy: -59.846
flat angles P-C4'-P energy: -36.277
tors. eta vs tors. theta energy: -42.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -369.401756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.401756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.401756 (E_RNA)
where:
Base-Base interactions energy: -150.257
where: short stacking energy: -87.809
Base-Backbone interact. energy: -0.744
local terms energy: -218.400200
where:
bonds (distance) C4'-P energy: -42.385
bonds (distance) P-C4' energy: -68.469
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -10.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -282.415541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.415541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.415541 (E_RNA)
where:
Base-Base interactions energy: -97.066
where: short stacking energy: -62.647
Base-Backbone interact. energy: -3.260
local terms energy: -182.089414
where:
bonds (distance) C4'-P energy: -63.192
bonds (distance) P-C4' energy: -63.058
flat angles C4'-P-C4' energy: -52.251
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: 13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -308.646697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.646697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.646697 (E_RNA)
where:
Base-Base interactions energy: -103.216
where: short stacking energy: -97.346
Base-Backbone interact. energy: -1.082
local terms energy: -204.349014
where:
bonds (distance) C4'-P energy: -69.232
bonds (distance) P-C4' energy: -45.547
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -28.612
tors. eta vs tors. theta energy: -6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -261.030004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.030004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.030004 (E_RNA)
where:
Base-Base interactions energy: -94.119
where: short stacking energy: -75.804
Base-Backbone interact. energy: -0.188
local terms energy: -166.723342
where:
bonds (distance) C4'-P energy: -66.301
bonds (distance) P-C4' energy: -53.011
flat angles C4'-P-C4' energy: -26.402
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1116.784428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.784428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.784428 (E_RNA)
where:
Base-Base interactions energy: -755.316
where: short stacking energy: -306.763
Base-Backbone interact. energy: -1.972
local terms energy: -359.496745
where:
bonds (distance) C4'-P energy: -68.451
bonds (distance) P-C4' energy: -74.741
flat angles C4'-P-C4' energy: -76.276
flat angles P-C4'-P energy: -46.738
tors. eta vs tors. theta energy: -93.291
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: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1053.427295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.427295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.427295 (E_RNA)
where:
Base-Base interactions energy: -704.140
where: short stacking energy: -291.977
Base-Backbone interact. energy: 0.592
local terms energy: -349.878831
where:
bonds (distance) C4'-P energy: -66.717
bonds (distance) P-C4' energy: -65.925
flat angles C4'-P-C4' energy: -70.684
flat angles P-C4'-P energy: -49.568
tors. eta vs tors. theta energy: -96.985
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: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -985.577721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.577721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.577721 (E_RNA)
where:
Base-Base interactions energy: -665.038
where: short stacking energy: -288.065
Base-Backbone interact. energy: -0.969
local terms energy: -319.570982
where:
bonds (distance) C4'-P energy: -48.901
bonds (distance) P-C4' energy: -65.464
flat angles C4'-P-C4' energy: -74.827
flat angles P-C4'-P energy: -39.859
tors. eta vs tors. theta energy: -90.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -916.974036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.974036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.974036 (E_RNA)
where:
Base-Base interactions energy: -599.348
where: short stacking energy: -280.120
Base-Backbone interact. energy: -0.809
local terms energy: -316.817547
where:
bonds (distance) C4'-P energy: -53.865
bonds (distance) P-C4' energy: -55.325
flat angles C4'-P-C4' energy: -71.658
flat angles P-C4'-P energy: -52.030
tors. eta vs tors. theta energy: -83.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -764.068942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.068942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.068942 (E_RNA)
where:
Base-Base interactions energy: -484.672
where: short stacking energy: -205.570
Base-Backbone interact. energy: -1.461
local terms energy: -277.935909
where:
bonds (distance) C4'-P energy: -54.083
bonds (distance) P-C4' energy: -68.065
flat angles C4'-P-C4' energy: -61.244
flat angles P-C4'-P energy: -41.764
tors. eta vs tors. theta energy: -52.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -561.288189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.288189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.288189 (E_RNA)
where:
Base-Base interactions energy: -316.442
where: short stacking energy: -167.158
Base-Backbone interact. energy: 0.036
local terms energy: -244.882226
where:
bonds (distance) C4'-P energy: -55.084
bonds (distance) P-C4' energy: -58.111
flat angles C4'-P-C4' energy: -54.973
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -43.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -373.064588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.064588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.064588 (E_RNA)
where:
Base-Base interactions energy: -158.891
where: short stacking energy: -95.728
Base-Backbone interact. energy: -1.501
local terms energy: -212.672221
where:
bonds (distance) C4'-P energy: -63.039
bonds (distance) P-C4' energy: -52.744
flat angles C4'-P-C4' energy: -49.717
flat angles P-C4'-P energy: -37.572
tors. eta vs tors. theta energy: -9.600
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: 295
Temperature: 1.250000
Total energy: -313.450841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.450841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.450841 (E_RNA)
where:
Base-Base interactions energy: -119.989
where: short stacking energy: -73.590
Base-Backbone interact. energy: -0.735
local terms energy: -192.727396
where:
bonds (distance) C4'-P energy: -55.167
bonds (distance) P-C4' energy: -67.446
flat angles C4'-P-C4' energy: -50.819
flat angles P-C4'-P energy: -28.391
tors. eta vs tors. theta energy: 9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -261.054320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.054320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.054320 (E_RNA)
where:
Base-Base interactions energy: -97.580
where: short stacking energy: -79.845
Base-Backbone interact. energy: -0.526
local terms energy: -163.326101
where:
bonds (distance) C4'-P energy: -50.906
bonds (distance) P-C4' energy: -52.257
flat angles C4'-P-C4' energy: -48.745
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: 11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.378 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -273.231026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.231026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.231026 (E_RNA)
where:
Base-Base interactions energy: -97.028
where: short stacking energy: -63.404
Base-Backbone interact. energy: 3.749
local terms energy: -179.952344
where:
bonds (distance) C4'-P energy: -54.454
bonds (distance) P-C4' energy: -71.054
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: 10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1132.180331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.180331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.180331 (E_RNA)
where:
Base-Base interactions energy: -770.688
where: short stacking energy: -302.737
Base-Backbone interact. energy: -1.938
local terms energy: -359.553937
where:
bonds (distance) C4'-P energy: -69.763
bonds (distance) P-C4' energy: -70.254
flat angles C4'-P-C4' energy: -77.482
flat angles P-C4'-P energy: -43.402
tors. eta vs tors. theta energy: -98.654
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: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1043.662708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.662708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.662708 (E_RNA)
where:
Base-Base interactions energy: -691.882
where: short stacking energy: -300.917
Base-Backbone interact. energy: 0.221
local terms energy: -352.002380
where:
bonds (distance) C4'-P energy: -68.739
bonds (distance) P-C4' energy: -73.963
flat angles C4'-P-C4' energy: -73.795
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -96.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -965.026732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.026732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.026732 (E_RNA)
where:
Base-Base interactions energy: -643.918
where: short stacking energy: -264.010
Base-Backbone interact. energy: -1.336
local terms energy: -319.772478
where:
bonds (distance) C4'-P energy: -62.359
bonds (distance) P-C4' energy: -54.409
flat angles C4'-P-C4' energy: -64.163
flat angles P-C4'-P energy: -50.476
tors. eta vs tors. theta energy: -88.365
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: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -938.114350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.114350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.114350 (E_RNA)
where:
Base-Base interactions energy: -595.747
where: short stacking energy: -264.160
Base-Backbone interact. energy: -1.895
local terms energy: -340.472344
where:
bonds (distance) C4'-P energy: -60.123
bonds (distance) P-C4' energy: -69.701
flat angles C4'-P-C4' energy: -78.953
flat angles P-C4'-P energy: -49.354
tors. eta vs tors. theta energy: -82.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -704.661200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.661200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.661200 (E_RNA)
where:
Base-Base interactions energy: -425.266
where: short stacking energy: -187.818
Base-Backbone interact. energy: -1.349
local terms energy: -278.046566
where:
bonds (distance) C4'-P energy: -63.886
bonds (distance) P-C4' energy: -64.253
flat angles C4'-P-C4' energy: -57.460
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: -44.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -599.609432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.609432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.609432 (E_RNA)
where:
Base-Base interactions energy: -347.341
where: short stacking energy: -161.354
Base-Backbone interact. energy: -0.757
local terms energy: -251.512293
where:
bonds (distance) C4'-P energy: -66.612
bonds (distance) P-C4' energy: -63.424
flat angles C4'-P-C4' energy: -57.164
flat angles P-C4'-P energy: -32.906
tors. eta vs tors. theta energy: -31.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -340.030252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.030252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.030252 (E_RNA)
where:
Base-Base interactions energy: -123.763
where: short stacking energy: -103.304
Base-Backbone interact. energy: 3.905
local terms energy: -220.172267
where:
bonds (distance) C4'-P energy: -56.098
bonds (distance) P-C4' energy: -60.115
flat angles C4'-P-C4' energy: -60.657
flat angles P-C4'-P energy: -38.254
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -300.558964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.558964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.558964 (E_RNA)
where:
Base-Base interactions energy: -105.391
where: short stacking energy: -81.570
Base-Backbone interact. energy: -1.757
local terms energy: -193.472168
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -59.415
flat angles C4'-P-C4' energy: -44.730
flat angles P-C4'-P energy: -39.709
tors. eta vs tors. theta energy: 8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.062 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -309.195659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.195659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.195659 (E_RNA)
where:
Base-Base interactions energy: -101.478
where: short stacking energy: -70.510
Base-Backbone interact. energy: 1.183
local terms energy: -208.900084
where:
bonds (distance) C4'-P energy: -60.792
bonds (distance) P-C4' energy: -59.427
flat angles C4'-P-C4' energy: -53.922
flat angles P-C4'-P energy: -25.669
tors. eta vs tors. theta energy: -9.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -272.200994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.200994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.200994 (E_RNA)
where:
Base-Base interactions energy: -102.851
where: short stacking energy: -82.997
Base-Backbone interact. energy: 0.718
local terms energy: -170.067854
where:
bonds (distance) C4'-P energy: -56.875
bonds (distance) P-C4' energy: -57.674
flat angles C4'-P-C4' energy: -43.625
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: 15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1134.705581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.705581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.705581 (E_RNA)
where:
Base-Base interactions energy: -791.815
where: short stacking energy: -315.372
Base-Backbone interact. energy: -0.654
local terms energy: -342.236218
where:
bonds (distance) C4'-P energy: -63.776
bonds (distance) P-C4' energy: -51.560
flat angles C4'-P-C4' energy: -77.605
flat angles P-C4'-P energy: -50.958
tors. eta vs tors. theta energy: -98.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1076.481998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.481998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.481998 (E_RNA)
where:
Base-Base interactions energy: -715.555
where: short stacking energy: -325.118
Base-Backbone interact. energy: 0.274
local terms energy: -361.201121
where:
bonds (distance) C4'-P energy: -58.125
bonds (distance) P-C4' energy: -66.294
flat angles C4'-P-C4' energy: -78.632
flat angles P-C4'-P energy: -43.427
tors. eta vs tors. theta energy: -114.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -993.947729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.947729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.947729 (E_RNA)
where:
Base-Base interactions energy: -653.423
where: short stacking energy: -267.527
Base-Backbone interact. energy: -0.700
local terms energy: -339.825624
where:
bonds (distance) C4'-P energy: -62.200
bonds (distance) P-C4' energy: -70.995
flat angles C4'-P-C4' energy: -75.331
flat angles P-C4'-P energy: -35.661
tors. eta vs tors. theta energy: -95.639
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: 297
Temperature: 1.050000
Total energy: -924.123431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.123431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.123431 (E_RNA)
where:
Base-Base interactions energy: -604.848
where: short stacking energy: -261.415
Base-Backbone interact. energy: -1.459
local terms energy: -317.817068
where:
bonds (distance) C4'-P energy: -66.170
bonds (distance) P-C4' energy: -62.212
flat angles C4'-P-C4' energy: -62.989
flat angles P-C4'-P energy: -47.537
tors. eta vs tors. theta energy: -78.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -739.735642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.735642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.735642 (E_RNA)
where:
Base-Base interactions energy: -454.044
where: short stacking energy: -204.785
Base-Backbone interact. energy: -0.194
local terms energy: -285.497710
where:
bonds (distance) C4'-P energy: -65.443
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -70.195
flat angles P-C4'-P energy: -35.400
tors. eta vs tors. theta energy: -51.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -603.292179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.292179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.292179 (E_RNA)
where:
Base-Base interactions energy: -331.487
where: short stacking energy: -150.514
Base-Backbone interact. energy: -1.300
local terms energy: -270.505675
where:
bonds (distance) C4'-P energy: -66.118
bonds (distance) P-C4' energy: -65.304
flat angles C4'-P-C4' energy: -66.158
flat angles P-C4'-P energy: -40.611
tors. eta vs tors. theta energy: -32.315
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: 297
Temperature: 1.200000
Total energy: -314.392079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.392079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.392079 (E_RNA)
where:
Base-Base interactions energy: -111.472
where: short stacking energy: -72.716
Base-Backbone interact. energy: -1.724
local terms energy: -201.195717
where:
bonds (distance) C4'-P energy: -67.954
bonds (distance) P-C4' energy: -57.853
flat angles C4'-P-C4' energy: -46.573
flat angles P-C4'-P energy: -34.207
tors. eta vs tors. theta energy: 5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -311.514784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.514784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.514784 (E_RNA)
where:
Base-Base interactions energy: -113.162
where: short stacking energy: -84.265
Base-Backbone interact. energy: -0.600
local terms energy: -197.752602
where:
bonds (distance) C4'-P energy: -56.606
bonds (distance) P-C4' energy: -52.516
flat angles C4'-P-C4' energy: -51.211
flat angles P-C4'-P energy: -33.415
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -315.018636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.018636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.018636 (E_RNA)
where:
Base-Base interactions energy: -130.309
where: short stacking energy: -84.460
Base-Backbone interact. energy: -0.793
local terms energy: -183.915970
where:
bonds (distance) C4'-P energy: -58.386
bonds (distance) P-C4' energy: -46.405
flat angles C4'-P-C4' energy: -60.617
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -254.678093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.678093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.678093 (E_RNA)
where:
Base-Base interactions energy: -88.976
where: short stacking energy: -67.027
Base-Backbone interact. energy: -1.313
local terms energy: -164.389956
where:
bonds (distance) C4'-P energy: -54.899
bonds (distance) P-C4' energy: -52.843
flat angles C4'-P-C4' energy: -41.180
flat angles P-C4'-P energy: -27.530
tors. eta vs tors. theta energy: 12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1104.794615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.794615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.794615 (E_RNA)
where:
Base-Base interactions energy: -765.916
where: short stacking energy: -302.976
Base-Backbone interact. energy: 0.030
local terms energy: -338.909461
where:
bonds (distance) C4'-P energy: -57.012
bonds (distance) P-C4' energy: -68.832
flat angles C4'-P-C4' energy: -62.429
flat angles P-C4'-P energy: -52.769
tors. eta vs tors. theta energy: -97.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1085.616300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.616300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.616300 (E_RNA)
where:
Base-Base interactions energy: -728.980
where: short stacking energy: -337.102
Base-Backbone interact. energy: -0.122
local terms energy: -356.515124
where:
bonds (distance) C4'-P energy: -69.733
bonds (distance) P-C4' energy: -61.841
flat angles C4'-P-C4' energy: -74.802
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -111.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -998.436197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.436197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.436197 (E_RNA)
where:
Base-Base interactions energy: -664.747
where: short stacking energy: -285.731
Base-Backbone interact. energy: -1.431
local terms energy: -332.459642
where:
bonds (distance) C4'-P energy: -53.012
bonds (distance) P-C4' energy: -70.743
flat angles C4'-P-C4' energy: -66.460
flat angles P-C4'-P energy: -48.246
tors. eta vs tors. theta energy: -93.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.201 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -901.084832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.084832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.084832 (E_RNA)
where:
Base-Base interactions energy: -596.113
where: short stacking energy: -245.010
Base-Backbone interact. energy: -0.691
local terms energy: -304.281250
where:
bonds (distance) C4'-P energy: -69.266
bonds (distance) P-C4' energy: -66.316
flat angles C4'-P-C4' energy: -63.310
flat angles P-C4'-P energy: -37.198
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: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -719.983198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.983198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.983198 (E_RNA)
where:
Base-Base interactions energy: -425.867
where: short stacking energy: -190.106
Base-Backbone interact. energy: -0.388
local terms energy: -293.728272
where:
bonds (distance) C4'-P energy: -68.741
bonds (distance) P-C4' energy: -52.672
flat angles C4'-P-C4' energy: -63.970
flat angles P-C4'-P energy: -45.815
tors. eta vs tors. theta energy: -62.530
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: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -584.474704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.474704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.474704 (E_RNA)
where:
Base-Base interactions energy: -329.533
where: short stacking energy: -144.655
Base-Backbone interact. energy: -1.041
local terms energy: -253.901642
where:
bonds (distance) C4'-P energy: -58.640
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -57.853
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: -25.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -343.445637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.445637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.445637 (E_RNA)
where:
Base-Base interactions energy: -107.129
where: short stacking energy: -99.466
Base-Backbone interact. energy: -0.710
local terms energy: -235.606641
where:
bonds (distance) C4'-P energy: -65.410
bonds (distance) P-C4' energy: -64.704
flat angles C4'-P-C4' energy: -52.747
flat angles P-C4'-P energy: -41.184
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -323.486339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.486339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.486339 (E_RNA)
where:
Base-Base interactions energy: -119.956
where: short stacking energy: -91.464
Base-Backbone interact. energy: 1.962
local terms energy: -205.492997
where:
bonds (distance) C4'-P energy: -51.341
bonds (distance) P-C4' energy: -57.925
flat angles C4'-P-C4' energy: -50.748
flat angles P-C4'-P energy: -37.438
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -306.334874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.334874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.334874 (E_RNA)
where:
Base-Base interactions energy: -135.488
where: short stacking energy: -70.799
Base-Backbone interact. energy: 4.127
local terms energy: -174.973710
where:
bonds (distance) C4'-P energy: -60.340
bonds (distance) P-C4' energy: -54.677
flat angles C4'-P-C4' energy: -38.640
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: 5.508
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: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -261.196010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.196010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.196010 (E_RNA)
where:
Base-Base interactions energy: -100.949
where: short stacking energy: -70.927
Base-Backbone interact. energy: 1.574
local terms energy: -161.820509
where:
bonds (distance) C4'-P energy: -52.990
bonds (distance) P-C4' energy: -50.261
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -30.301
tors. eta vs tors. theta energy: 6.055
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: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1105.580091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.580091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.580091 (E_RNA)
where:
Base-Base interactions energy: -758.370
where: short stacking energy: -298.176
Base-Backbone interact. energy: -1.778
local terms energy: -345.432068
where:
bonds (distance) C4'-P energy: -64.399
bonds (distance) P-C4' energy: -65.391
flat angles C4'-P-C4' energy: -73.719
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: -89.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1063.668127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.668127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.668127 (E_RNA)
where:
Base-Base interactions energy: -698.682
where: short stacking energy: -308.428
Base-Backbone interact. energy: 0.145
local terms energy: -365.131450
where:
bonds (distance) C4'-P energy: -75.843
bonds (distance) P-C4' energy: -65.770
flat angles C4'-P-C4' energy: -69.905
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -106.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1002.143537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.143537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.143537 (E_RNA)
where:
Base-Base interactions energy: -667.208
where: short stacking energy: -276.558
Base-Backbone interact. energy: 1.931
local terms energy: -337.798657
where:
bonds (distance) C4'-P energy: -70.580
bonds (distance) P-C4' energy: -61.539
flat angles C4'-P-C4' energy: -68.925
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: -91.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.932 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -898.459875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.459875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.459875 (E_RNA)
where:
Base-Base interactions energy: -582.998
where: short stacking energy: -254.551
Base-Backbone interact. energy: -0.273
local terms energy: -315.188856
where:
bonds (distance) C4'-P energy: -51.834
bonds (distance) P-C4' energy: -67.621
flat angles C4'-P-C4' energy: -73.443
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -76.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -696.495078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.495078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.495078 (E_RNA)
where:
Base-Base interactions energy: -423.198
where: short stacking energy: -186.019
Base-Backbone interact. energy: 1.943
local terms energy: -275.239878
where:
bonds (distance) C4'-P energy: -62.704
bonds (distance) P-C4' energy: -60.875
flat angles C4'-P-C4' energy: -63.655
flat angles P-C4'-P energy: -45.560
tors. eta vs tors. theta energy: -42.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -582.180819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.180819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.180819 (E_RNA)
where:
Base-Base interactions energy: -321.146
where: short stacking energy: -154.122
Base-Backbone interact. energy: 3.163
local terms energy: -264.197505
where:
bonds (distance) C4'-P energy: -54.000
bonds (distance) P-C4' energy: -61.954
flat angles C4'-P-C4' energy: -69.368
flat angles P-C4'-P energy: -34.001
tors. eta vs tors. theta energy: -44.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -319.179746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.179746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.179746 (E_RNA)
where:
Base-Base interactions energy: -131.223
where: short stacking energy: -72.610
Base-Backbone interact. energy: 1.262
local terms energy: -189.218129
where:
bonds (distance) C4'-P energy: -52.369
bonds (distance) P-C4' energy: -59.303
flat angles C4'-P-C4' energy: -51.485
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -293.134175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.134175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.134175 (E_RNA)
where:
Base-Base interactions energy: -93.832
where: short stacking energy: -80.556
Base-Backbone interact. energy: -0.147
local terms energy: -199.154694
where:
bonds (distance) C4'-P energy: -63.596
bonds (distance) P-C4' energy: -69.306
flat angles C4'-P-C4' energy: -49.292
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: 7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -276.530931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.530931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.530931 (E_RNA)
where:
Base-Base interactions energy: -105.452
where: short stacking energy: -81.230
Base-Backbone interact. energy: 2.502
local terms energy: -173.580836
where:
bonds (distance) C4'-P energy: -55.125
bonds (distance) P-C4' energy: -63.159
flat angles C4'-P-C4' energy: -49.374
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: 10.567
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: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -254.257618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.257618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.257618 (E_RNA)
where:
Base-Base interactions energy: -78.937
where: short stacking energy: -70.054
Base-Backbone interact. energy: 3.888
local terms energy: -179.208355
where:
bonds (distance) C4'-P energy: -58.482
bonds (distance) P-C4' energy: -47.715
flat angles C4'-P-C4' energy: -51.858
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: 13.444
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: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1120.568162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.568162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.568162 (E_RNA)
where:
Base-Base interactions energy: -776.776
where: short stacking energy: -313.953
Base-Backbone interact. energy: 4.420
local terms energy: -348.212446
where:
bonds (distance) C4'-P energy: -67.890
bonds (distance) P-C4' energy: -63.541
flat angles C4'-P-C4' energy: -71.587
flat angles P-C4'-P energy: -43.474
tors. eta vs tors. theta energy: -101.719
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: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1057.979340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.979340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.979340 (E_RNA)
where:
Base-Base interactions energy: -709.401
where: short stacking energy: -311.583
Base-Backbone interact. energy: -0.211
local terms energy: -348.367323
where:
bonds (distance) C4'-P energy: -56.276
bonds (distance) P-C4' energy: -67.690
flat angles C4'-P-C4' energy: -72.613
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -104.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1008.694682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.694682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.694682 (E_RNA)
where:
Base-Base interactions energy: -669.683
where: short stacking energy: -277.254
Base-Backbone interact. energy: -0.975
local terms energy: -338.036407
where:
bonds (distance) C4'-P energy: -64.028
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -74.482
flat angles P-C4'-P energy: -43.406
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: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -907.673876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.673876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.673876 (E_RNA)
where:
Base-Base interactions energy: -611.786
where: short stacking energy: -270.664
Base-Backbone interact. energy: -0.485
local terms energy: -295.403361
where:
bonds (distance) C4'-P energy: -61.635
bonds (distance) P-C4' energy: -51.662
flat angles C4'-P-C4' energy: -70.196
flat angles P-C4'-P energy: -34.338
tors. eta vs tors. theta energy: -77.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -696.591588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.591588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.591588 (E_RNA)
where:
Base-Base interactions energy: -425.508
where: short stacking energy: -198.952
Base-Backbone interact. energy: 0.479
local terms energy: -271.563103
where:
bonds (distance) C4'-P energy: -55.073
bonds (distance) P-C4' energy: -57.943
flat angles C4'-P-C4' energy: -73.401
flat angles P-C4'-P energy: -38.063
tors. eta vs tors. theta energy: -47.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -597.190236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.190236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.190236 (E_RNA)
where:
Base-Base interactions energy: -340.418
where: short stacking energy: -163.197
Base-Backbone interact. energy: -2.248
local terms energy: -254.524418
where:
bonds (distance) C4'-P energy: -54.240
bonds (distance) P-C4' energy: -70.472
flat angles C4'-P-C4' energy: -51.560
flat angles P-C4'-P energy: -33.392
tors. eta vs tors. theta energy: -44.860
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: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -384.732564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.732564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.732564 (E_RNA)
where:
Base-Base interactions energy: -194.402
where: short stacking energy: -108.673
Base-Backbone interact. energy: -1.896
local terms energy: -188.433618
where:
bonds (distance) C4'-P energy: -49.409
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -47.295
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -298.423545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.423545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.423545 (E_RNA)
where:
Base-Base interactions energy: -114.397
where: short stacking energy: -83.983
Base-Backbone interact. energy: 4.497
local terms energy: -188.524073
where:
bonds (distance) C4'-P energy: -54.921
bonds (distance) P-C4' energy: -55.930
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -30.216
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -274.918553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.918553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.918553 (E_RNA)
where:
Base-Base interactions energy: -106.634
where: short stacking energy: -81.787
Base-Backbone interact. energy: -1.348
local terms energy: -166.936800
where:
bonds (distance) C4'-P energy: -53.501
bonds (distance) P-C4' energy: -52.656
flat angles C4'-P-C4' energy: -45.720
flat angles P-C4'-P energy: -27.031
tors. eta vs tors. theta energy: 11.971
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: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -274.888670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.888670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.888670 (E_RNA)
where:
Base-Base interactions energy: -89.165
where: short stacking energy: -70.223
Base-Backbone interact. energy: 0.154
local terms energy: -185.878383
where:
bonds (distance) C4'-P energy: -53.908
bonds (distance) P-C4' energy: -63.864
flat angles C4'-P-C4' energy: -48.518
flat angles P-C4'-P energy: -22.763
tors. eta vs tors. theta energy: 3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1123.864690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.864690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.864690 (E_RNA)
where:
Base-Base interactions energy: -764.769
where: short stacking energy: -311.197
Base-Backbone interact. energy: -1.394
local terms energy: -357.702053
where:
bonds (distance) C4'-P energy: -67.090
bonds (distance) P-C4' energy: -69.395
flat angles C4'-P-C4' energy: -74.165
flat angles P-C4'-P energy: -46.477
tors. eta vs tors. theta energy: -100.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1053.245741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.245741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.245741 (E_RNA)
where:
Base-Base interactions energy: -695.382
where: short stacking energy: -299.696
Base-Backbone interact. energy: -0.294
local terms energy: -357.570090
where:
bonds (distance) C4'-P energy: -74.966
bonds (distance) P-C4' energy: -71.267
flat angles C4'-P-C4' energy: -75.904
flat angles P-C4'-P energy: -40.825
tors. eta vs tors. theta energy: -94.607
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: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -982.539938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.539938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.539938 (E_RNA)
where:
Base-Base interactions energy: -656.686
where: short stacking energy: -276.406
Base-Backbone interact. energy: 1.812
local terms energy: -327.665131
where:
bonds (distance) C4'-P energy: -66.709
bonds (distance) P-C4' energy: -78.907
flat angles C4'-P-C4' energy: -59.408
flat angles P-C4'-P energy: -35.865
tors. eta vs tors. theta energy: -86.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -895.672459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.672459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.672459 (E_RNA)
where:
Base-Base interactions energy: -584.850
where: short stacking energy: -255.331
Base-Backbone interact. energy: 0.012
local terms energy: -310.835177
where:
bonds (distance) C4'-P energy: -67.768
bonds (distance) P-C4' energy: -64.255
flat angles C4'-P-C4' energy: -67.673
flat angles P-C4'-P energy: -35.443
tors. eta vs tors. theta energy: -75.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -704.222865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.222865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.222865 (E_RNA)
where:
Base-Base interactions energy: -411.400
where: short stacking energy: -200.260
Base-Backbone interact. energy: 1.319
local terms energy: -294.141132
where:
bonds (distance) C4'-P energy: -63.735
bonds (distance) P-C4' energy: -60.392
flat angles C4'-P-C4' energy: -66.516
flat angles P-C4'-P energy: -52.862
tors. eta vs tors. theta energy: -50.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -606.769419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.769419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.769419 (E_RNA)
where:
Base-Base interactions energy: -374.611
where: short stacking energy: -181.613
Base-Backbone interact. energy: -0.307
local terms energy: -231.850936
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -59.130
flat angles C4'-P-C4' energy: -64.806
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -34.799
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: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -392.234553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.234553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.234553 (E_RNA)
where:
Base-Base interactions energy: -191.427
where: short stacking energy: -108.665
Base-Backbone interact. energy: 4.874
local terms energy: -205.681349
where:
bonds (distance) C4'-P energy: -55.806
bonds (distance) P-C4' energy: -65.978
flat angles C4'-P-C4' energy: -47.236
flat angles P-C4'-P energy: -31.803
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -307.743619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.743619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.743619 (E_RNA)
where:
Base-Base interactions energy: -109.749
where: short stacking energy: -79.474
Base-Backbone interact. energy: -2.296
local terms energy: -195.698890
where:
bonds (distance) C4'-P energy: -49.705
bonds (distance) P-C4' energy: -65.300
flat angles C4'-P-C4' energy: -58.292
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: 4.665
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: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -274.445681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.445681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.445681 (E_RNA)
where:
Base-Base interactions energy: -97.990
where: short stacking energy: -68.694
Base-Backbone interact. energy: -0.733
local terms energy: -175.722310
where:
bonds (distance) C4'-P energy: -62.230
bonds (distance) P-C4' energy: -51.437
flat angles C4'-P-C4' energy: -45.925
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: 12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -285.454380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.454380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.454380 (E_RNA)
where:
Base-Base interactions energy: -114.785
where: short stacking energy: -80.750
Base-Backbone interact. energy: -1.073
local terms energy: -169.596388
where:
bonds (distance) C4'-P energy: -58.117
bonds (distance) P-C4' energy: -55.475
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -38.284
tors. eta vs tors. theta energy: 18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1127.819056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.819056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.819056 (E_RNA)
where:
Base-Base interactions energy: -777.890
where: short stacking energy: -305.357
Base-Backbone interact. energy: -0.808
local terms energy: -349.120983
where:
bonds (distance) C4'-P energy: -62.322
bonds (distance) P-C4' energy: -73.331
flat angles C4'-P-C4' energy: -71.261
flat angles P-C4'-P energy: -51.551
tors. eta vs tors. theta energy: -90.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1051.232612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.232612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.232612 (E_RNA)
where:
Base-Base interactions energy: -707.030
where: short stacking energy: -319.009
Base-Backbone interact. energy: -0.120
local terms energy: -344.082351
where:
bonds (distance) C4'-P energy: -58.593
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -75.259
flat angles P-C4'-P energy: -48.452
tors. eta vs tors. theta energy: -95.917
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: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -989.187463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.187463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.187463 (E_RNA)
where:
Base-Base interactions energy: -653.752
where: short stacking energy: -270.273
Base-Backbone interact. energy: 1.730
local terms energy: -337.165464
where:
bonds (distance) C4'-P energy: -67.724
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -68.508
flat angles P-C4'-P energy: -50.743
tors. eta vs tors. theta energy: -88.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -858.102457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.102457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.102457 (E_RNA)
where:
Base-Base interactions energy: -556.033
where: short stacking energy: -229.724
Base-Backbone interact. energy: -0.021
local terms energy: -302.049169
where:
bonds (distance) C4'-P energy: -57.100
bonds (distance) P-C4' energy: -67.702
flat angles C4'-P-C4' energy: -55.010
flat angles P-C4'-P energy: -52.634
tors. eta vs tors. theta energy: -69.602
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: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -685.801542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.801542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.801542 (E_RNA)
where:
Base-Base interactions energy: -413.964
where: short stacking energy: -195.321
Base-Backbone interact. energy: -1.615
local terms energy: -270.222792
where:
bonds (distance) C4'-P energy: -61.165
bonds (distance) P-C4' energy: -55.497
flat angles C4'-P-C4' energy: -66.234
flat angles P-C4'-P energy: -38.779
tors. eta vs tors. theta energy: -48.548
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: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -648.129442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.129442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.129442 (E_RNA)
where:
Base-Base interactions energy: -392.266
where: short stacking energy: -187.724
Base-Backbone interact. energy: -0.729
local terms energy: -255.134995
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -53.236
flat angles C4'-P-C4' energy: -60.667
flat angles P-C4'-P energy: -33.144
tors. eta vs tors. theta energy: -53.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -399.274360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.274360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.274360 (E_RNA)
where:
Base-Base interactions energy: -172.259
where: short stacking energy: -83.214
Base-Backbone interact. energy: -0.136
local terms energy: -226.879009
where:
bonds (distance) C4'-P energy: -58.399
bonds (distance) P-C4' energy: -65.729
flat angles C4'-P-C4' energy: -60.748
flat angles P-C4'-P energy: -42.876
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -303.764600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.764600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.764600 (E_RNA)
where:
Base-Base interactions energy: -106.932
where: short stacking energy: -81.088
Base-Backbone interact. energy: 2.558
local terms energy: -199.390413
where:
bonds (distance) C4'-P energy: -55.685
bonds (distance) P-C4' energy: -59.735
flat angles C4'-P-C4' energy: -54.877
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: -3.223
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: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -284.416669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.416669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.416669 (E_RNA)
where:
Base-Base interactions energy: -103.826
where: short stacking energy: -81.027
Base-Backbone interact. energy: 2.137
local terms energy: -182.726678
where:
bonds (distance) C4'-P energy: -56.228
bonds (distance) P-C4' energy: -54.533
flat angles C4'-P-C4' energy: -53.987
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: 5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -268.086871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.086871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.086871 (E_RNA)
where:
Base-Base interactions energy: -91.945
where: short stacking energy: -67.479
Base-Backbone interact. energy: 0.022
local terms energy: -176.164241
where:
bonds (distance) C4'-P energy: -50.681
bonds (distance) P-C4' energy: -59.507
flat angles C4'-P-C4' energy: -45.289
flat angles P-C4'-P energy: -28.469
tors. eta vs tors. theta energy: 7.782
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: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1108.050183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.050183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.050183 (E_RNA)
where:
Base-Base interactions energy: -747.040
where: short stacking energy: -289.606
Base-Backbone interact. energy: -1.628
local terms energy: -359.382531
where:
bonds (distance) C4'-P energy: -73.479
bonds (distance) P-C4' energy: -76.425
flat angles C4'-P-C4' energy: -70.685
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -97.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1074.345579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.345579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.345579 (E_RNA)
where:
Base-Base interactions energy: -711.410
where: short stacking energy: -315.962
Base-Backbone interact. energy: -0.647
local terms energy: -362.288680
where:
bonds (distance) C4'-P energy: -65.155
bonds (distance) P-C4' energy: -73.876
flat angles C4'-P-C4' energy: -71.147
flat angles P-C4'-P energy: -44.560
tors. eta vs tors. theta energy: -107.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -980.461586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.461586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.461586 (E_RNA)
where:
Base-Base interactions energy: -658.351
where: short stacking energy: -272.827
Base-Backbone interact. energy: -2.114
local terms energy: -319.996710
where:
bonds (distance) C4'-P energy: -67.781
bonds (distance) P-C4' energy: -55.373
flat angles C4'-P-C4' energy: -75.879
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: -79.410
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: 303
Temperature: 1.050000
Total energy: -883.771109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.771109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.771109 (E_RNA)
where:
Base-Base interactions energy: -575.312
where: short stacking energy: -252.172
Base-Backbone interact. energy: -0.437
local terms energy: -308.022416
where:
bonds (distance) C4'-P energy: -58.530
bonds (distance) P-C4' energy: -64.744
flat angles C4'-P-C4' energy: -63.587
flat angles P-C4'-P energy: -41.723
tors. eta vs tors. theta energy: -79.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -708.518630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.518630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.518630 (E_RNA)
where:
Base-Base interactions energy: -424.419
where: short stacking energy: -196.506
Base-Backbone interact. energy: 0.804
local terms energy: -284.903361
where:
bonds (distance) C4'-P energy: -52.655
bonds (distance) P-C4' energy: -66.243
flat angles C4'-P-C4' energy: -57.086
flat angles P-C4'-P energy: -54.379
tors. eta vs tors. theta energy: -54.540
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: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -622.292191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.292191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.292191 (E_RNA)
where:
Base-Base interactions energy: -355.797
where: short stacking energy: -161.770
Base-Backbone interact. energy: -1.064
local terms energy: -265.710282
where:
bonds (distance) C4'-P energy: -63.966
bonds (distance) P-C4' energy: -68.489
flat angles C4'-P-C4' energy: -59.250
flat angles P-C4'-P energy: -31.856
tors. eta vs tors. theta energy: -42.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.279 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -361.092497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.092497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.092497 (E_RNA)
where:
Base-Base interactions energy: -140.190
where: short stacking energy: -110.285
Base-Backbone interact. energy: -2.194
local terms energy: -218.708850
where:
bonds (distance) C4'-P energy: -48.061
bonds (distance) P-C4' energy: -61.484
flat angles C4'-P-C4' energy: -67.131
flat angles P-C4'-P energy: -27.634
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -326.309130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.309130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.309130 (E_RNA)
where:
Base-Base interactions energy: -142.312
where: short stacking energy: -91.810
Base-Backbone interact. energy: 3.588
local terms energy: -187.584446
where:
bonds (distance) C4'-P energy: -45.312
bonds (distance) P-C4' energy: -53.526
flat angles C4'-P-C4' energy: -57.398
flat angles P-C4'-P energy: -26.008
tors. eta vs tors. theta energy: -5.341
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: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -289.695226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.695226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.695226 (E_RNA)
where:
Base-Base interactions energy: -92.904
where: short stacking energy: -74.769
Base-Backbone interact. energy: 1.545
local terms energy: -198.335846
where:
bonds (distance) C4'-P energy: -50.790
bonds (distance) P-C4' energy: -68.627
flat angles C4'-P-C4' energy: -49.896
flat angles P-C4'-P energy: -25.478
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: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -249.741580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.741580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.741580 (E_RNA)
where:
Base-Base interactions energy: -85.306
where: short stacking energy: -81.964
Base-Backbone interact. energy: 1.144
local terms energy: -165.579613
where:
bonds (distance) C4'-P energy: -55.216
bonds (distance) P-C4' energy: -53.660
flat angles C4'-P-C4' energy: -44.026
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: 7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1074.265070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.265070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.265070 (E_RNA)
where:
Base-Base interactions energy: -709.017
where: short stacking energy: -309.053
Base-Backbone interact. energy: -0.087
local terms energy: -365.161516
where:
bonds (distance) C4'-P energy: -62.353
bonds (distance) P-C4' energy: -71.940
flat angles C4'-P-C4' energy: -74.149
flat angles P-C4'-P energy: -58.097
tors. eta vs tors. theta energy: -98.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1073.690146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.690146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.690146 (E_RNA)
where:
Base-Base interactions energy: -723.762
where: short stacking energy: -277.631
Base-Backbone interact. energy: -1.569
local terms energy: -348.359039
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -67.533
flat angles C4'-P-C4' energy: -73.188
flat angles P-C4'-P energy: -51.550
tors. eta vs tors. theta energy: -96.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -990.664341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.664341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.664341 (E_RNA)
where:
Base-Base interactions energy: -665.226
where: short stacking energy: -264.433
Base-Backbone interact. energy: 1.909
local terms energy: -327.346831
where:
bonds (distance) C4'-P energy: -59.750
bonds (distance) P-C4' energy: -65.594
flat angles C4'-P-C4' energy: -77.697
flat angles P-C4'-P energy: -44.147
tors. eta vs tors. theta energy: -80.159
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: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -877.146068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.146068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.146068 (E_RNA)
where:
Base-Base interactions energy: -562.977
where: short stacking energy: -224.565
Base-Backbone interact. energy: -1.021
local terms energy: -313.148743
where:
bonds (distance) C4'-P energy: -63.265
bonds (distance) P-C4' energy: -61.421
flat angles C4'-P-C4' energy: -66.401
flat angles P-C4'-P energy: -50.115
tors. eta vs tors. theta energy: -71.947
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: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -691.811631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.811631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.811631 (E_RNA)
where:
Base-Base interactions energy: -415.521
where: short stacking energy: -183.521
Base-Backbone interact. energy: 7.707
local terms energy: -283.997571
where:
bonds (distance) C4'-P energy: -62.932
bonds (distance) P-C4' energy: -61.212
flat angles C4'-P-C4' energy: -70.707
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -49.465
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: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -682.414736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.414736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.414736 (E_RNA)
where:
Base-Base interactions energy: -410.024
where: short stacking energy: -163.433
Base-Backbone interact. energy: 0.553
local terms energy: -273.009866
where:
bonds (distance) C4'-P energy: -65.723
bonds (distance) P-C4' energy: -62.158
flat angles C4'-P-C4' energy: -62.784
flat angles P-C4'-P energy: -42.203
tors. eta vs tors. theta energy: -40.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.066 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -359.635447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.635447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.635447 (E_RNA)
where:
Base-Base interactions energy: -157.083
where: short stacking energy: -94.557
Base-Backbone interact. energy: -0.386
local terms energy: -202.166748
where:
bonds (distance) C4'-P energy: -57.002
bonds (distance) P-C4' energy: -56.732
flat angles C4'-P-C4' energy: -38.870
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -325.389889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.389889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.389889 (E_RNA)
where:
Base-Base interactions energy: -126.482
where: short stacking energy: -73.074
Base-Backbone interact. energy: 0.095
local terms energy: -199.002808
where:
bonds (distance) C4'-P energy: -59.075
bonds (distance) P-C4' energy: -70.656
flat angles C4'-P-C4' energy: -62.457
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: 10.074
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: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -274.407035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.407035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.407035 (E_RNA)
where:
Base-Base interactions energy: -80.766
where: short stacking energy: -76.828
Base-Backbone interact. energy: 1.492
local terms energy: -195.133111
where:
bonds (distance) C4'-P energy: -53.712
bonds (distance) P-C4' energy: -65.348
flat angles C4'-P-C4' energy: -36.631
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -288.601761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.601761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.601761 (E_RNA)
where:
Base-Base interactions energy: -96.959
where: short stacking energy: -67.513
Base-Backbone interact. energy: 2.496
local terms energy: -194.139444
where:
bonds (distance) C4'-P energy: -58.797
bonds (distance) P-C4' energy: -52.388
flat angles C4'-P-C4' energy: -51.821
flat angles P-C4'-P energy: -31.051
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1075.379484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.379484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.379484 (E_RNA)
where:
Base-Base interactions energy: -727.103
where: short stacking energy: -334.057
Base-Backbone interact. energy: 1.952
local terms energy: -350.228235
where:
bonds (distance) C4'-P energy: -63.525
bonds (distance) P-C4' energy: -64.205
flat angles C4'-P-C4' energy: -80.013
flat angles P-C4'-P energy: -40.685
tors. eta vs tors. theta energy: -101.801
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: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1072.021043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.021043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.021043 (E_RNA)
where:
Base-Base interactions energy: -726.113
where: short stacking energy: -281.502
Base-Backbone interact. energy: 0.378
local terms energy: -346.285788
where:
bonds (distance) C4'-P energy: -67.086
bonds (distance) P-C4' energy: -63.976
flat angles C4'-P-C4' energy: -67.559
flat angles P-C4'-P energy: -57.596
tors. eta vs tors. theta energy: -90.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1007.031171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.031171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.031171 (E_RNA)
where:
Base-Base interactions energy: -672.153
where: short stacking energy: -280.762
Base-Backbone interact. energy: -1.215
local terms energy: -333.663103
where:
bonds (distance) C4'-P energy: -57.336
bonds (distance) P-C4' energy: -63.000
flat angles C4'-P-C4' energy: -71.477
flat angles P-C4'-P energy: -54.052
tors. eta vs tors. theta energy: -87.798
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: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -888.329627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.329627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.329627 (E_RNA)
where:
Base-Base interactions energy: -558.769
where: short stacking energy: -247.942
Base-Backbone interact. energy: -0.849
local terms energy: -328.712058
where:
bonds (distance) C4'-P energy: -61.574
bonds (distance) P-C4' energy: -66.459
flat angles C4'-P-C4' energy: -70.938
flat angles P-C4'-P energy: -54.269
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: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -701.356842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.356842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.356842 (E_RNA)
where:
Base-Base interactions energy: -408.970
where: short stacking energy: -197.345
Base-Backbone interact. energy: -0.980
local terms energy: -291.407050
where:
bonds (distance) C4'-P energy: -62.709
bonds (distance) P-C4' energy: -64.683
flat angles C4'-P-C4' energy: -68.492
flat angles P-C4'-P energy: -42.943
tors. eta vs tors. theta energy: -52.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -654.780362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.780362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.780362 (E_RNA)
where:
Base-Base interactions energy: -376.417
where: short stacking energy: -176.796
Base-Backbone interact. energy: -3.072
local terms energy: -275.291078
where:
bonds (distance) C4'-P energy: -62.271
bonds (distance) P-C4' energy: -55.664
flat angles C4'-P-C4' energy: -54.813
flat angles P-C4'-P energy: -47.844
tors. eta vs tors. theta energy: -54.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -330.927065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.927065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.927065 (E_RNA)
where:
Base-Base interactions energy: -137.125
where: short stacking energy: -82.150
Base-Backbone interact. energy: 0.559
local terms energy: -194.360393
where:
bonds (distance) C4'-P energy: -53.424
bonds (distance) P-C4' energy: -58.239
flat angles C4'-P-C4' energy: -50.735
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: 4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -344.666999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.666999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.666999 (E_RNA)
where:
Base-Base interactions energy: -153.721
where: short stacking energy: -97.726
Base-Backbone interact. energy: -1.186
local terms energy: -189.759514
where:
bonds (distance) C4'-P energy: -52.894
bonds (distance) P-C4' energy: -67.025
flat angles C4'-P-C4' energy: -51.769
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -295.769055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.769055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.769055 (E_RNA)
where:
Base-Base interactions energy: -105.734
where: short stacking energy: -78.764
Base-Backbone interact. energy: 3.564
local terms energy: -193.598576
where:
bonds (distance) C4'-P energy: -55.048
bonds (distance) P-C4' energy: -61.417
flat angles C4'-P-C4' energy: -47.298
flat angles P-C4'-P energy: -32.176
tors. eta vs tors. theta energy: 2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -291.612151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.612151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.612151 (E_RNA)
where:
Base-Base interactions energy: -103.032
where: short stacking energy: -69.932
Base-Backbone interact. energy: 1.513
local terms energy: -190.093481
where:
bonds (distance) C4'-P energy: -47.006
bonds (distance) P-C4' energy: -59.900
flat angles C4'-P-C4' energy: -48.607
flat angles P-C4'-P energy: -40.216
tors. eta vs tors. theta energy: 5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1061.295791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.295791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.295791 (E_RNA)
where:
Base-Base interactions energy: -694.414
where: short stacking energy: -305.589
Base-Backbone interact. energy: 0.105
local terms energy: -366.987037
where:
bonds (distance) C4'-P energy: -72.118
bonds (distance) P-C4' energy: -58.066
flat angles C4'-P-C4' energy: -74.418
flat angles P-C4'-P energy: -59.409
tors. eta vs tors. theta energy: -102.977
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: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1084.462398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.462398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.462398 (E_RNA)
where:
Base-Base interactions energy: -748.605
where: short stacking energy: -263.391
Base-Backbone interact. energy: -0.176
local terms energy: -335.681460
where:
bonds (distance) C4'-P energy: -66.787
bonds (distance) P-C4' energy: -67.303
flat angles C4'-P-C4' energy: -73.656
flat angles P-C4'-P energy: -40.949
tors. eta vs tors. theta energy: -86.986
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: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1001.650932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.650932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.650932 (E_RNA)
where:
Base-Base interactions energy: -663.313
where: short stacking energy: -277.192
Base-Backbone interact. energy: -1.153
local terms energy: -337.185360
where:
bonds (distance) C4'-P energy: -55.537
bonds (distance) P-C4' energy: -65.071
flat angles C4'-P-C4' energy: -74.706
flat angles P-C4'-P energy: -51.706
tors. eta vs tors. theta energy: -90.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -899.524861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.524861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.524861 (E_RNA)
where:
Base-Base interactions energy: -585.845
where: short stacking energy: -266.760
Base-Backbone interact. energy: -1.303
local terms energy: -312.376938
where:
bonds (distance) C4'-P energy: -65.081
bonds (distance) P-C4' energy: -47.213
flat angles C4'-P-C4' energy: -67.033
flat angles P-C4'-P energy: -49.250
tors. eta vs tors. theta energy: -83.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -716.343192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.343192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.343192 (E_RNA)
where:
Base-Base interactions energy: -433.490
where: short stacking energy: -201.408
Base-Backbone interact. energy: -1.036
local terms energy: -281.817154
where:
bonds (distance) C4'-P energy: -66.027
bonds (distance) P-C4' energy: -51.210
flat angles C4'-P-C4' energy: -55.168
flat angles P-C4'-P energy: -46.451
tors. eta vs tors. theta energy: -62.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -596.106974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.106974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.106974 (E_RNA)
where:
Base-Base interactions energy: -338.458
where: short stacking energy: -164.703
Base-Backbone interact. energy: -1.509
local terms energy: -256.140516
where:
bonds (distance) C4'-P energy: -64.008
bonds (distance) P-C4' energy: -61.703
flat angles C4'-P-C4' energy: -63.536
flat angles P-C4'-P energy: -33.949
tors. eta vs tors. theta energy: -32.945
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: 306
Temperature: 1.200000
Total energy: -342.353471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.353471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.353471 (E_RNA)
where:
Base-Base interactions energy: -127.668
where: short stacking energy: -87.064
Base-Backbone interact. energy: -2.174
local terms energy: -212.511820
where:
bonds (distance) C4'-P energy: -64.334
bonds (distance) P-C4' energy: -60.861
flat angles C4'-P-C4' energy: -49.484
flat angles P-C4'-P energy: -36.461
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -368.260647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.260647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.260647 (E_RNA)
where:
Base-Base interactions energy: -165.981
where: short stacking energy: -100.738
Base-Backbone interact. energy: 0.942
local terms energy: -203.221171
where:
bonds (distance) C4'-P energy: -39.087
bonds (distance) P-C4' energy: -65.753
flat angles C4'-P-C4' energy: -41.986
flat angles P-C4'-P energy: -45.020
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -271.840909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.840909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.840909 (E_RNA)
where:
Base-Base interactions energy: -68.639
where: short stacking energy: -57.709
Base-Backbone interact. energy: 1.857
local terms energy: -205.059707
where:
bonds (distance) C4'-P energy: -49.002
bonds (distance) P-C4' energy: -63.607
flat angles C4'-P-C4' energy: -55.591
flat angles P-C4'-P energy: -40.949
tors. eta vs tors. theta energy: 4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -252.087427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.087427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.087427 (E_RNA)
where:
Base-Base interactions energy: -85.600
where: short stacking energy: -52.158
Base-Backbone interact. energy: 0.536
local terms energy: -167.023469
where:
bonds (distance) C4'-P energy: -51.268
bonds (distance) P-C4' energy: -59.250
flat angles C4'-P-C4' energy: -44.951
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: 20.947
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: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1087.320943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.320943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.320943 (E_RNA)
where:
Base-Base interactions energy: -723.905
where: short stacking energy: -329.651
Base-Backbone interact. energy: 0.795
local terms energy: -364.210250
where:
bonds (distance) C4'-P energy: -68.814
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -73.648
flat angles P-C4'-P energy: -54.094
tors. eta vs tors. theta energy: -110.423
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: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1067.034531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.034531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.034531 (E_RNA)
where:
Base-Base interactions energy: -717.407
where: short stacking energy: -286.964
Base-Backbone interact. energy: -3.778
local terms energy: -345.848723
where:
bonds (distance) C4'-P energy: -64.164
bonds (distance) P-C4' energy: -64.469
flat angles C4'-P-C4' energy: -69.155
flat angles P-C4'-P energy: -49.733
tors. eta vs tors. theta energy: -98.327
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: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -985.765069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.765069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.765069 (E_RNA)
where:
Base-Base interactions energy: -675.339
where: short stacking energy: -280.080
Base-Backbone interact. energy: 2.259
local terms energy: -312.684364
where:
bonds (distance) C4'-P energy: -56.690
bonds (distance) P-C4' energy: -60.841
flat angles C4'-P-C4' energy: -70.908
flat angles P-C4'-P energy: -44.715
tors. eta vs tors. theta energy: -79.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -919.145921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.145921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.145921 (E_RNA)
where:
Base-Base interactions energy: -603.167
where: short stacking energy: -262.252
Base-Backbone interact. energy: -0.244
local terms energy: -315.734771
where:
bonds (distance) C4'-P energy: -45.943
bonds (distance) P-C4' energy: -62.620
flat angles C4'-P-C4' energy: -73.497
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -88.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -727.317916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.317916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.317916 (E_RNA)
where:
Base-Base interactions energy: -437.122
where: short stacking energy: -196.945
Base-Backbone interact. energy: -1.959
local terms energy: -288.237357
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -65.218
flat angles C4'-P-C4' energy: -59.462
flat angles P-C4'-P energy: -57.574
tors. eta vs tors. theta energy: -51.759
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: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -621.402840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.402840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.402840 (E_RNA)
where:
Base-Base interactions energy: -361.348
where: short stacking energy: -164.006
Base-Backbone interact. energy: 0.471
local terms energy: -260.525942
where:
bonds (distance) C4'-P energy: -53.863
bonds (distance) P-C4' energy: -63.697
flat angles C4'-P-C4' energy: -53.415
flat angles P-C4'-P energy: -51.875
tors. eta vs tors. theta energy: -37.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -325.166546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.166546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.166546 (E_RNA)
where:
Base-Base interactions energy: -107.191
where: short stacking energy: -69.744
Base-Backbone interact. energy: 0.813
local terms energy: -218.788272
where:
bonds (distance) C4'-P energy: -61.909
bonds (distance) P-C4' energy: -66.465
flat angles C4'-P-C4' energy: -57.077
flat angles P-C4'-P energy: -41.280
tors. eta vs tors. theta energy: 7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -354.030018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.030018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.030018 (E_RNA)
where:
Base-Base interactions energy: -179.878
where: short stacking energy: -99.228
Base-Backbone interact. energy: -1.829
local terms energy: -172.322429
where:
bonds (distance) C4'-P energy: -58.799
bonds (distance) P-C4' energy: -56.043
flat angles C4'-P-C4' energy: -30.665
flat angles P-C4'-P energy: -29.997
tors. eta vs tors. theta energy: 3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -284.096056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.096056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.096056 (E_RNA)
where:
Base-Base interactions energy: -79.084
where: short stacking energy: -70.613
Base-Backbone interact. energy: -0.521
local terms energy: -204.491456
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -64.197
flat angles C4'-P-C4' energy: -58.070
flat angles P-C4'-P energy: -39.645
tors. eta vs tors. theta energy: 9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -265.555737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.555737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.555737 (E_RNA)
where:
Base-Base interactions energy: -107.072
where: short stacking energy: -66.581
Base-Backbone interact. energy: 6.391
local terms energy: -164.874138
where:
bonds (distance) C4'-P energy: -43.456
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -43.761
flat angles P-C4'-P energy: -32.032
tors. eta vs tors. theta energy: 13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1074.420953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.420953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.420953 (E_RNA)
where:
Base-Base interactions energy: -711.338
where: short stacking energy: -314.714
Base-Backbone interact. energy: -0.254
local terms energy: -362.829149
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -69.425
flat angles C4'-P-C4' energy: -73.190
flat angles P-C4'-P energy: -53.422
tors. eta vs tors. theta energy: -102.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1064.572971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.572971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.572971 (E_RNA)
where:
Base-Base interactions energy: -721.765
where: short stacking energy: -274.967
Base-Backbone interact. energy: -0.360
local terms energy: -342.447889
where:
bonds (distance) C4'-P energy: -60.674
bonds (distance) P-C4' energy: -64.031
flat angles C4'-P-C4' energy: -73.721
flat angles P-C4'-P energy: -50.224
tors. eta vs tors. theta energy: -93.798
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: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -989.246663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.246663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.246663 (E_RNA)
where:
Base-Base interactions energy: -658.345
where: short stacking energy: -267.825
Base-Backbone interact. energy: 1.007
local terms energy: -331.908363
where:
bonds (distance) C4'-P energy: -63.842
bonds (distance) P-C4' energy: -70.997
flat angles C4'-P-C4' energy: -64.579
flat angles P-C4'-P energy: -40.670
tors. eta vs tors. theta energy: -91.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -922.751883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.751883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.751883 (E_RNA)
where:
Base-Base interactions energy: -574.316
where: short stacking energy: -259.397
Base-Backbone interact. energy: -1.600
local terms energy: -346.836080
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -71.746
flat angles C4'-P-C4' energy: -76.259
flat angles P-C4'-P energy: -53.562
tors. eta vs tors. theta energy: -90.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -721.285192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.285192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.285192 (E_RNA)
where:
Base-Base interactions energy: -458.356
where: short stacking energy: -212.242
Base-Backbone interact. energy: -0.415
local terms energy: -262.513832
where:
bonds (distance) C4'-P energy: -39.006
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -67.675
flat angles P-C4'-P energy: -41.319
tors. eta vs tors. theta energy: -58.771
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: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -672.058354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.058354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.058354 (E_RNA)
where:
Base-Base interactions energy: -398.806
where: short stacking energy: -174.063
Base-Backbone interact. energy: 0.636
local terms energy: -273.888136
where:
bonds (distance) C4'-P energy: -64.452
bonds (distance) P-C4' energy: -60.846
flat angles C4'-P-C4' energy: -62.366
flat angles P-C4'-P energy: -50.905
tors. eta vs tors. theta energy: -35.320
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: 308
Temperature: 1.200000
Total energy: -334.637941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.637941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.637941 (E_RNA)
where:
Base-Base interactions energy: -125.412
where: short stacking energy: -92.505
Base-Backbone interact. energy: -0.640
local terms energy: -208.586538
where:
bonds (distance) C4'-P energy: -60.365
bonds (distance) P-C4' energy: -45.430
flat angles C4'-P-C4' energy: -60.908
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -4.333
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: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -299.475791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.475791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.475791 (E_RNA)
where:
Base-Base interactions energy: -100.679
where: short stacking energy: -89.525
Base-Backbone interact. energy: 0.063
local terms energy: -198.860065
where:
bonds (distance) C4'-P energy: -63.396
bonds (distance) P-C4' energy: -57.029
flat angles C4'-P-C4' energy: -53.061
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -313.237637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.237637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.237637 (E_RNA)
where:
Base-Base interactions energy: -121.318
where: short stacking energy: -87.526
Base-Backbone interact. energy: 0.308
local terms energy: -192.227311
where:
bonds (distance) C4'-P energy: -63.551
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -45.137
flat angles P-C4'-P energy: -39.684
tors. eta vs tors. theta energy: 7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -253.939818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.939818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.939818 (E_RNA)
where:
Base-Base interactions energy: -84.318
where: short stacking energy: -53.136
Base-Backbone interact. energy: -1.100
local terms energy: -168.522260
where:
bonds (distance) C4'-P energy: -58.398
bonds (distance) P-C4' energy: -57.099
flat angles C4'-P-C4' energy: -42.171
flat angles P-C4'-P energy: -31.649
tors. eta vs tors. theta energy: 20.795
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: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1075.994336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.994336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.994336 (E_RNA)
where:
Base-Base interactions energy: -720.911
where: short stacking energy: -334.171
Base-Backbone interact. energy: 1.626
local terms energy: -356.709253
where:
bonds (distance) C4'-P energy: -66.171
bonds (distance) P-C4' energy: -65.445
flat angles C4'-P-C4' energy: -72.241
flat angles P-C4'-P energy: -43.132
tors. eta vs tors. theta energy: -109.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1078.002073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.002073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.002073 (E_RNA)
where:
Base-Base interactions energy: -727.944
where: short stacking energy: -289.918
Base-Backbone interact. energy: -1.569
local terms energy: -348.488658
where:
bonds (distance) C4'-P energy: -64.690
bonds (distance) P-C4' energy: -62.564
flat angles C4'-P-C4' energy: -73.357
flat angles P-C4'-P energy: -48.671
tors. eta vs tors. theta energy: -99.206
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: 309
Temperature: 1.000000
Total energy: -988.132715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.132715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.132715 (E_RNA)
where:
Base-Base interactions energy: -651.047
where: short stacking energy: -264.678
Base-Backbone interact. energy: -0.406
local terms energy: -336.680025
where:
bonds (distance) C4'-P energy: -67.041
bonds (distance) P-C4' energy: -73.764
flat angles C4'-P-C4' energy: -71.078
flat angles P-C4'-P energy: -46.841
tors. eta vs tors. theta energy: -77.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -933.324219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.324219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.324219 (E_RNA)
where:
Base-Base interactions energy: -587.284
where: short stacking energy: -251.423
Base-Backbone interact. energy: -0.705
local terms energy: -345.334372
where:
bonds (distance) C4'-P energy: -64.297
bonds (distance) P-C4' energy: -66.863
flat angles C4'-P-C4' energy: -74.293
flat angles P-C4'-P energy: -49.481
tors. eta vs tors. theta energy: -90.400
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: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -758.907741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.907741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.907741 (E_RNA)
where:
Base-Base interactions energy: -469.625
where: short stacking energy: -248.982
Base-Backbone interact. energy: -0.408
local terms energy: -288.874469
where:
bonds (distance) C4'-P energy: -41.907
bonds (distance) P-C4' energy: -67.809
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -42.088
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: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -694.333575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.333575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.333575 (E_RNA)
where:
Base-Base interactions energy: -411.018
where: short stacking energy: -213.531
Base-Backbone interact. energy: -0.058
local terms energy: -283.257565
where:
bonds (distance) C4'-P energy: -58.709
bonds (distance) P-C4' energy: -49.254
flat angles C4'-P-C4' energy: -70.324
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -60.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -337.921671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.921671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.921671 (E_RNA)
where:
Base-Base interactions energy: -127.771
where: short stacking energy: -104.334
Base-Backbone interact. energy: -0.997
local terms energy: -209.152974
where:
bonds (distance) C4'-P energy: -50.282
bonds (distance) P-C4' energy: -67.325
flat angles C4'-P-C4' energy: -48.373
flat angles P-C4'-P energy: -34.244
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -328.908583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.908583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.908583 (E_RNA)
where:
Base-Base interactions energy: -135.353
where: short stacking energy: -94.622
Base-Backbone interact. energy: -0.542
local terms energy: -193.014183
where:
bonds (distance) C4'-P energy: -53.009
bonds (distance) P-C4' energy: -58.993
flat angles C4'-P-C4' energy: -39.190
flat angles P-C4'-P energy: -26.430
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -289.181198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.181198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.181198 (E_RNA)
where:
Base-Base interactions energy: -95.010
where: short stacking energy: -65.138
Base-Backbone interact. energy: -0.697
local terms energy: -193.579181
where:
bonds (distance) C4'-P energy: -58.362
bonds (distance) P-C4' energy: -65.858
flat angles C4'-P-C4' energy: -56.955
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: 12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.104 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -271.194464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.194464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.194464 (E_RNA)
where:
Base-Base interactions energy: -79.038
where: short stacking energy: -56.269
Base-Backbone interact. energy: -1.640
local terms energy: -190.516263
where:
bonds (distance) C4'-P energy: -52.599
bonds (distance) P-C4' energy: -47.287
flat angles C4'-P-C4' energy: -56.610
flat angles P-C4'-P energy: -41.735
tors. eta vs tors. theta energy: 7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1080.922794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.922794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.922794 (E_RNA)
where:
Base-Base interactions energy: -715.834
where: short stacking energy: -285.551
Base-Backbone interact. energy: -1.940
local terms energy: -363.148630
where:
bonds (distance) C4'-P energy: -70.284
bonds (distance) P-C4' energy: -73.231
flat angles C4'-P-C4' energy: -74.760
flat angles P-C4'-P energy: -56.435
tors. eta vs tors. theta energy: -88.438
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: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1063.011777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.011777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.011777 (E_RNA)
where:
Base-Base interactions energy: -694.719
where: short stacking energy: -311.744
Base-Backbone interact. energy: 0.216
local terms energy: -368.508985
where:
bonds (distance) C4'-P energy: -59.976
bonds (distance) P-C4' energy: -73.375
flat angles C4'-P-C4' energy: -69.821
flat angles P-C4'-P energy: -54.022
tors. eta vs tors. theta energy: -111.316
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: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -982.224584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.224584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.224584 (E_RNA)
where:
Base-Base interactions energy: -658.468
where: short stacking energy: -278.561
Base-Backbone interact. energy: 3.162
local terms energy: -326.918234
where:
bonds (distance) C4'-P energy: -65.114
bonds (distance) P-C4' energy: -60.744
flat angles C4'-P-C4' energy: -66.691
flat angles P-C4'-P energy: -46.098
tors. eta vs tors. theta energy: -88.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -913.210067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.210067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.210067 (E_RNA)
where:
Base-Base interactions energy: -562.490
where: short stacking energy: -271.848
Base-Backbone interact. energy: -1.634
local terms energy: -349.085842
where:
bonds (distance) C4'-P energy: -65.169
bonds (distance) P-C4' energy: -61.573
flat angles C4'-P-C4' energy: -70.026
flat angles P-C4'-P energy: -51.272
tors. eta vs tors. theta energy: -101.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -709.665156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.665156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.665156 (E_RNA)
where:
Base-Base interactions energy: -428.514
where: short stacking energy: -205.957
Base-Backbone interact. energy: 1.310
local terms energy: -282.461508
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -69.961
flat angles C4'-P-C4' energy: -67.703
flat angles P-C4'-P energy: -31.973
tors. eta vs tors. theta energy: -60.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -633.594759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.594759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.594759 (E_RNA)
where:
Base-Base interactions energy: -374.564
where: short stacking energy: -172.876
Base-Backbone interact. energy: 0.983
local terms energy: -260.013684
where:
bonds (distance) C4'-P energy: -50.926
bonds (distance) P-C4' energy: -63.526
flat angles C4'-P-C4' energy: -64.937
flat angles P-C4'-P energy: -41.141
tors. eta vs tors. theta energy: -39.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -341.968822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.968822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.968822 (E_RNA)
where:
Base-Base interactions energy: -124.789
where: short stacking energy: -89.162
Base-Backbone interact. energy: -2.034
local terms energy: -215.145996
where:
bonds (distance) C4'-P energy: -62.938
bonds (distance) P-C4' energy: -64.706
flat angles C4'-P-C4' energy: -54.448
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -368.250622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.250622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.250622 (E_RNA)
where:
Base-Base interactions energy: -161.917
where: short stacking energy: -90.322
Base-Backbone interact. energy: 3.578
local terms energy: -209.911915
where:
bonds (distance) C4'-P energy: -64.469
bonds (distance) P-C4' energy: -60.273
flat angles C4'-P-C4' energy: -55.744
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: -0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -306.544783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.544783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.544783 (E_RNA)
where:
Base-Base interactions energy: -100.855
where: short stacking energy: -71.623
Base-Backbone interact. energy: 0.196
local terms energy: -205.885785
where:
bonds (distance) C4'-P energy: -51.397
bonds (distance) P-C4' energy: -68.993
flat angles C4'-P-C4' energy: -56.733
flat angles P-C4'-P energy: -33.415
tors. eta vs tors. theta energy: 4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -249.647520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.647520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.647520 (E_RNA)
where:
Base-Base interactions energy: -75.545
where: short stacking energy: -72.312
Base-Backbone interact. energy: 2.360
local terms energy: -176.462220
where:
bonds (distance) C4'-P energy: -57.351
bonds (distance) P-C4' energy: -59.144
flat angles C4'-P-C4' energy: -38.919
flat angles P-C4'-P energy: -29.346
tors. eta vs tors. theta energy: 8.298
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: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1080.893918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.893918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.893918 (E_RNA)
where:
Base-Base interactions energy: -735.512
where: short stacking energy: -299.539
Base-Backbone interact. energy: -1.787
local terms energy: -343.595499
where:
bonds (distance) C4'-P energy: -50.708
bonds (distance) P-C4' energy: -73.483
flat angles C4'-P-C4' energy: -73.547
flat angles P-C4'-P energy: -53.187
tors. eta vs tors. theta energy: -92.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1066.647853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.647853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.647853 (E_RNA)
where:
Base-Base interactions energy: -698.238
where: short stacking energy: -301.334
Base-Backbone interact. energy: 2.030
local terms energy: -370.440320
where:
bonds (distance) C4'-P energy: -62.357
bonds (distance) P-C4' energy: -70.618
flat angles C4'-P-C4' energy: -71.986
flat angles P-C4'-P energy: -57.386
tors. eta vs tors. theta energy: -108.093
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: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -971.107355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.107355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.107355 (E_RNA)
where:
Base-Base interactions energy: -663.829
where: short stacking energy: -269.505
Base-Backbone interact. energy: -1.273
local terms energy: -306.005678
where:
bonds (distance) C4'-P energy: -56.334
bonds (distance) P-C4' energy: -56.542
flat angles C4'-P-C4' energy: -58.369
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -88.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -911.367170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.367170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.367170 (E_RNA)
where:
Base-Base interactions energy: -580.100
where: short stacking energy: -286.297
Base-Backbone interact. energy: -0.306
local terms energy: -330.960924
where:
bonds (distance) C4'-P energy: -50.187
bonds (distance) P-C4' energy: -65.255
flat angles C4'-P-C4' energy: -71.190
flat angles P-C4'-P energy: -45.684
tors. eta vs tors. theta energy: -98.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -721.826258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.826258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.826258 (E_RNA)
where:
Base-Base interactions energy: -447.187
where: short stacking energy: -212.105
Base-Backbone interact. energy: 0.124
local terms energy: -274.762605
where:
bonds (distance) C4'-P energy: -48.568
bonds (distance) P-C4' energy: -59.678
flat angles C4'-P-C4' energy: -65.615
flat angles P-C4'-P energy: -42.405
tors. eta vs tors. theta energy: -58.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -654.688143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.688143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.688143 (E_RNA)
where:
Base-Base interactions energy: -392.091
where: short stacking energy: -159.548
Base-Backbone interact. energy: -1.797
local terms energy: -260.799935
where:
bonds (distance) C4'-P energy: -62.852
bonds (distance) P-C4' energy: -61.427
flat angles C4'-P-C4' energy: -60.592
flat angles P-C4'-P energy: -36.739
tors. eta vs tors. theta energy: -39.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -334.093837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.093837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.093837 (E_RNA)
where:
Base-Base interactions energy: -122.853
where: short stacking energy: -90.712
Base-Backbone interact. energy: -1.632
local terms energy: -209.608848
where:
bonds (distance) C4'-P energy: -65.836
bonds (distance) P-C4' energy: -64.025
flat angles C4'-P-C4' energy: -52.222
flat angles P-C4'-P energy: -34.833
tors. eta vs tors. theta energy: 7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -326.984332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.984332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.984332 (E_RNA)
where:
Base-Base interactions energy: -134.141
where: short stacking energy: -74.773
Base-Backbone interact. energy: -0.799
local terms energy: -192.044182
where:
bonds (distance) C4'-P energy: -55.861
bonds (distance) P-C4' energy: -55.221
flat angles C4'-P-C4' energy: -56.822
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -3.097
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: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -290.640067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.640067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.640067 (E_RNA)
where:
Base-Base interactions energy: -89.562
where: short stacking energy: -58.514
Base-Backbone interact. energy: 3.108
local terms energy: -204.186010
where:
bonds (distance) C4'-P energy: -53.240
bonds (distance) P-C4' energy: -65.632
flat angles C4'-P-C4' energy: -51.216
flat angles P-C4'-P energy: -36.636
tors. eta vs tors. theta energy: 2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -256.212874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.212874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.212874 (E_RNA)
where:
Base-Base interactions energy: -99.289
where: short stacking energy: -61.909
Base-Backbone interact. energy: -0.503
local terms energy: -156.420691
where:
bonds (distance) C4'-P energy: -49.617
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -37.876
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: 10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1091.251418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.251418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.251418 (E_RNA)
where:
Base-Base interactions energy: -747.711
where: short stacking energy: -298.894
Base-Backbone interact. energy: 0.301
local terms energy: -343.841772
where:
bonds (distance) C4'-P energy: -70.233
bonds (distance) P-C4' energy: -58.388
flat angles C4'-P-C4' energy: -64.947
flat angles P-C4'-P energy: -56.892
tors. eta vs tors. theta energy: -93.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1065.892642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.892642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.892642 (E_RNA)
where:
Base-Base interactions energy: -691.599
where: short stacking energy: -318.711
Base-Backbone interact. energy: -0.155
local terms energy: -374.138468
where:
bonds (distance) C4'-P energy: -53.068
bonds (distance) P-C4' energy: -79.385
flat angles C4'-P-C4' energy: -79.105
flat angles P-C4'-P energy: -55.160
tors. eta vs tors. theta energy: -107.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -962.746066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.746066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.746066 (E_RNA)
where:
Base-Base interactions energy: -641.662
where: short stacking energy: -261.023
Base-Backbone interact. energy: -0.194
local terms energy: -320.890217
where:
bonds (distance) C4'-P energy: -62.177
bonds (distance) P-C4' energy: -64.769
flat angles C4'-P-C4' energy: -62.988
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -87.526
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: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -886.641793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.641793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.641793 (E_RNA)
where:
Base-Base interactions energy: -561.330
where: short stacking energy: -258.815
Base-Backbone interact. energy: -0.584
local terms energy: -324.727961
where:
bonds (distance) C4'-P energy: -61.101
bonds (distance) P-C4' energy: -65.819
flat angles C4'-P-C4' energy: -64.676
flat angles P-C4'-P energy: -49.608
tors. eta vs tors. theta energy: -83.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -700.238354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.238354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.238354 (E_RNA)
where:
Base-Base interactions energy: -428.802
where: short stacking energy: -190.830
Base-Backbone interact. energy: -1.028
local terms energy: -270.408101
where:
bonds (distance) C4'-P energy: -61.408
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -69.879
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -46.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -713.461333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.461333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.461333 (E_RNA)
where:
Base-Base interactions energy: -452.268
where: short stacking energy: -209.754
Base-Backbone interact. energy: -0.403
local terms energy: -260.790367
where:
bonds (distance) C4'-P energy: -60.059
bonds (distance) P-C4' energy: -64.352
flat angles C4'-P-C4' energy: -45.952
flat angles P-C4'-P energy: -39.571
tors. eta vs tors. theta energy: -50.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -332.734354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.734354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.734354 (E_RNA)
where:
Base-Base interactions energy: -121.124
where: short stacking energy: -91.128
Base-Backbone interact. energy: -0.109
local terms energy: -211.501045
where:
bonds (distance) C4'-P energy: -61.698
bonds (distance) P-C4' energy: -66.070
flat angles C4'-P-C4' energy: -57.297
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -297.729274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.729274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.729274 (E_RNA)
where:
Base-Base interactions energy: -130.568
where: short stacking energy: -85.989
Base-Backbone interact. energy: -2.656
local terms energy: -164.504714
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -48.315
flat angles C4'-P-C4' energy: -44.923
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: 10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -262.523564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.523564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.523564 (E_RNA)
where:
Base-Base interactions energy: -71.385
where: short stacking energy: -51.851
Base-Backbone interact. energy: -3.058
local terms energy: -188.080738
where:
bonds (distance) C4'-P energy: -58.872
bonds (distance) P-C4' energy: -60.717
flat angles C4'-P-C4' energy: -46.624
flat angles P-C4'-P energy: -35.163
tors. eta vs tors. theta energy: 13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -280.566619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.566619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.566619 (E_RNA)
where:
Base-Base interactions energy: -103.667
where: short stacking energy: -74.269
Base-Backbone interact. energy: 0.847
local terms energy: -177.746739
where:
bonds (distance) C4'-P energy: -59.163
bonds (distance) P-C4' energy: -64.565
flat angles C4'-P-C4' energy: -41.854
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: 14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1096.648110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.648110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.648110 (E_RNA)
where:
Base-Base interactions energy: -765.318
where: short stacking energy: -300.305
Base-Backbone interact. energy: -1.757
local terms energy: -329.573262
where:
bonds (distance) C4'-P energy: -56.134
bonds (distance) P-C4' energy: -67.093
flat angles C4'-P-C4' energy: -73.469
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -98.568
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: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1032.554842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.554842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.554842 (E_RNA)
where:
Base-Base interactions energy: -682.370
where: short stacking energy: -290.199
Base-Backbone interact. energy: -0.982
local terms energy: -349.202812
where:
bonds (distance) C4'-P energy: -64.002
bonds (distance) P-C4' energy: -72.639
flat angles C4'-P-C4' energy: -69.482
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -103.508
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: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -995.097680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.097680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.097680 (E_RNA)
where:
Base-Base interactions energy: -667.455
where: short stacking energy: -264.834
Base-Backbone interact. energy: -0.295
local terms energy: -327.347145
where:
bonds (distance) C4'-P energy: -64.607
bonds (distance) P-C4' energy: -67.542
flat angles C4'-P-C4' energy: -67.521
flat angles P-C4'-P energy: -39.051
tors. eta vs tors. theta energy: -88.627
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: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -921.926301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.926301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.926301 (E_RNA)
where:
Base-Base interactions energy: -596.375
where: short stacking energy: -271.322
Base-Backbone interact. energy: 0.925
local terms energy: -326.476181
where:
bonds (distance) C4'-P energy: -70.316
bonds (distance) P-C4' energy: -66.500
flat angles C4'-P-C4' energy: -70.337
flat angles P-C4'-P energy: -44.299
tors. eta vs tors. theta energy: -75.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -744.386118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.386118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.386118 (E_RNA)
where:
Base-Base interactions energy: -469.144
where: short stacking energy: -203.718
Base-Backbone interact. energy: -0.245
local terms energy: -274.997319
where:
bonds (distance) C4'-P energy: -59.496
bonds (distance) P-C4' energy: -62.975
flat angles C4'-P-C4' energy: -62.979
flat angles P-C4'-P energy: -37.587
tors. eta vs tors. theta energy: -51.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -697.642327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.642327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.642327 (E_RNA)
where:
Base-Base interactions energy: -430.018
where: short stacking energy: -190.934
Base-Backbone interact. energy: 1.608
local terms energy: -269.231546
where:
bonds (distance) C4'-P energy: -50.389
bonds (distance) P-C4' energy: -64.673
flat angles C4'-P-C4' energy: -52.813
flat angles P-C4'-P energy: -47.633
tors. eta vs tors. theta energy: -53.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -346.682599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.682599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.682599 (E_RNA)
where:
Base-Base interactions energy: -128.818
where: short stacking energy: -82.341
Base-Backbone interact. energy: -0.207
local terms energy: -217.656612
where:
bonds (distance) C4'-P energy: -64.128
bonds (distance) P-C4' energy: -63.145
flat angles C4'-P-C4' energy: -62.586
flat angles P-C4'-P energy: -34.452
tors. eta vs tors. theta energy: 6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -324.131465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.131465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.131465 (E_RNA)
where:
Base-Base interactions energy: -131.239
where: short stacking energy: -76.141
Base-Backbone interact. energy: -0.826
local terms energy: -192.065673
where:
bonds (distance) C4'-P energy: -58.572
bonds (distance) P-C4' energy: -53.631
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -30.458
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -298.751926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.751926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.751926 (E_RNA)
where:
Base-Base interactions energy: -108.387
where: short stacking energy: -83.007
Base-Backbone interact. energy: 1.100
local terms energy: -191.465199
where:
bonds (distance) C4'-P energy: -51.833
bonds (distance) P-C4' energy: -63.594
flat angles C4'-P-C4' energy: -51.133
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: 1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -259.020255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.020255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.020255 (E_RNA)
where:
Base-Base interactions energy: -92.435
where: short stacking energy: -80.618
Base-Backbone interact. energy: -2.322
local terms energy: -164.262487
where:
bonds (distance) C4'-P energy: -48.974
bonds (distance) P-C4' energy: -51.423
flat angles C4'-P-C4' energy: -44.680
flat angles P-C4'-P energy: -29.040
tors. eta vs tors. theta energy: 9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1109.770175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.770175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.770175 (E_RNA)
where:
Base-Base interactions energy: -763.948
where: short stacking energy: -290.003
Base-Backbone interact. energy: -1.748
local terms energy: -344.073408
where:
bonds (distance) C4'-P energy: -67.012
bonds (distance) P-C4' energy: -65.373
flat angles C4'-P-C4' energy: -76.618
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -95.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1044.110795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.110795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.110795 (E_RNA)
where:
Base-Base interactions energy: -686.530
where: short stacking energy: -283.104
Base-Backbone interact. energy: 0.795
local terms energy: -358.375165
where:
bonds (distance) C4'-P energy: -68.371
bonds (distance) P-C4' energy: -68.253
flat angles C4'-P-C4' energy: -69.640
flat angles P-C4'-P energy: -51.487
tors. eta vs tors. theta energy: -100.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -996.082911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.082911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.082911 (E_RNA)
where:
Base-Base interactions energy: -676.281
where: short stacking energy: -265.865
Base-Backbone interact. energy: -1.226
local terms energy: -318.575234
where:
bonds (distance) C4'-P energy: -64.999
bonds (distance) P-C4' energy: -57.088
flat angles C4'-P-C4' energy: -59.807
flat angles P-C4'-P energy: -43.500
tors. eta vs tors. theta energy: -93.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -920.697341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.697341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.697341 (E_RNA)
where:
Base-Base interactions energy: -577.032
where: short stacking energy: -272.389
Base-Backbone interact. energy: 0.321
local terms energy: -343.986549
where:
bonds (distance) C4'-P energy: -65.536
bonds (distance) P-C4' energy: -65.186
flat angles C4'-P-C4' energy: -72.100
flat angles P-C4'-P energy: -49.659
tors. eta vs tors. theta energy: -91.506
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: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -716.462970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.462970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.462970 (E_RNA)
where:
Base-Base interactions energy: -445.752
where: short stacking energy: -197.767
Base-Backbone interact. energy: 2.348
local terms energy: -273.990092
where:
bonds (distance) C4'-P energy: -50.276
bonds (distance) P-C4' energy: -64.913
flat angles C4'-P-C4' energy: -64.601
flat angles P-C4'-P energy: -36.724
tors. eta vs tors. theta energy: -57.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.931 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -653.668524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.668524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.668524 (E_RNA)
where:
Base-Base interactions energy: -385.053
where: short stacking energy: -169.806
Base-Backbone interact. energy: -1.286
local terms energy: -267.329668
where:
bonds (distance) C4'-P energy: -67.023
bonds (distance) P-C4' energy: -62.154
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -43.780
tors. eta vs tors. theta energy: -35.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -328.027696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.027696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.027696 (E_RNA)
where:
Base-Base interactions energy: -110.684
where: short stacking energy: -77.561
Base-Backbone interact. energy: 2.410
local terms energy: -219.753845
where:
bonds (distance) C4'-P energy: -60.694
bonds (distance) P-C4' energy: -60.134
flat angles C4'-P-C4' energy: -50.775
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -5.635
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: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -314.617233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.617233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.617233 (E_RNA)
where:
Base-Base interactions energy: -125.617
where: short stacking energy: -104.524
Base-Backbone interact. energy: -1.385
local terms energy: -187.614814
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -52.894
flat angles C4'-P-C4' energy: -56.747
flat angles P-C4'-P energy: -25.438
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -291.529576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.529576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.529576 (E_RNA)
where:
Base-Base interactions energy: -97.696
where: short stacking energy: -69.493
Base-Backbone interact. energy: 1.380
local terms energy: -195.213358
where:
bonds (distance) C4'-P energy: -61.530
bonds (distance) P-C4' energy: -64.324
flat angles C4'-P-C4' energy: -49.100
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: 3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -270.031304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.031304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.031304 (E_RNA)
where:
Base-Base interactions energy: -71.682
where: short stacking energy: -46.803
Base-Backbone interact. energy: -2.050
local terms energy: -196.299291
where:
bonds (distance) C4'-P energy: -61.797
bonds (distance) P-C4' energy: -58.458
flat angles C4'-P-C4' energy: -56.516
flat angles P-C4'-P energy: -31.778
tors. eta vs tors. theta energy: 12.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1096.562950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.562950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.562950 (E_RNA)
where:
Base-Base interactions energy: -752.462
where: short stacking energy: -280.566
Base-Backbone interact. energy: -1.963
local terms energy: -342.137551
where:
bonds (distance) C4'-P energy: -71.752
bonds (distance) P-C4' energy: -67.647
flat angles C4'-P-C4' energy: -61.490
flat angles P-C4'-P energy: -48.443
tors. eta vs tors. theta energy: -92.806
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: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1018.223813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.223813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.223813 (E_RNA)
where:
Base-Base interactions energy: -665.827
where: short stacking energy: -296.762
Base-Backbone interact. energy: 1.997
local terms energy: -354.394364
where:
bonds (distance) C4'-P energy: -63.038
bonds (distance) P-C4' energy: -65.021
flat angles C4'-P-C4' energy: -75.013
flat angles P-C4'-P energy: -52.870
tors. eta vs tors. theta energy: -98.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -991.957914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.957914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.957914 (E_RNA)
where:
Base-Base interactions energy: -662.344
where: short stacking energy: -280.763
Base-Backbone interact. energy: 4.305
local terms energy: -333.919043
where:
bonds (distance) C4'-P energy: -74.166
bonds (distance) P-C4' energy: -59.236
flat angles C4'-P-C4' energy: -69.152
flat angles P-C4'-P energy: -46.804
tors. eta vs tors. theta energy: -84.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -921.525732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.525732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.525732 (E_RNA)
where:
Base-Base interactions energy: -624.458
where: short stacking energy: -261.280
Base-Backbone interact. energy: -0.374
local terms energy: -296.693863
where:
bonds (distance) C4'-P energy: -46.190
bonds (distance) P-C4' energy: -56.653
flat angles C4'-P-C4' energy: -68.806
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: -80.861
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: 315
Temperature: 1.100000
Total energy: -797.561983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.561983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.561983 (E_RNA)
where:
Base-Base interactions energy: -500.000
where: short stacking energy: -237.069
Base-Backbone interact. energy: 0.458
local terms energy: -298.020048
where:
bonds (distance) C4'-P energy: -57.346
bonds (distance) P-C4' energy: -57.703
flat angles C4'-P-C4' energy: -67.272
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -72.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -634.479987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.479987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.479987 (E_RNA)
where:
Base-Base interactions energy: -396.453
where: short stacking energy: -179.841
Base-Backbone interact. energy: -2.483
local terms energy: -235.543951
where:
bonds (distance) C4'-P energy: -52.090
bonds (distance) P-C4' energy: -53.940
flat angles C4'-P-C4' energy: -54.751
flat angles P-C4'-P energy: -30.619
tors. eta vs tors. theta energy: -44.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -333.356396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.356396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.356396 (E_RNA)
where:
Base-Base interactions energy: -104.559
where: short stacking energy: -92.144
Base-Backbone interact. energy: 0.641
local terms energy: -229.438385
where:
bonds (distance) C4'-P energy: -66.892
bonds (distance) P-C4' energy: -56.453
flat angles C4'-P-C4' energy: -60.091
flat angles P-C4'-P energy: -29.463
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -329.478892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.478892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.478892 (E_RNA)
where:
Base-Base interactions energy: -132.080
where: short stacking energy: -69.411
Base-Backbone interact. energy: -0.862
local terms energy: -196.537015
where:
bonds (distance) C4'-P energy: -50.509
bonds (distance) P-C4' energy: -54.493
flat angles C4'-P-C4' energy: -59.717
flat angles P-C4'-P energy: -39.216
tors. eta vs tors. theta energy: 7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -271.161151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.161151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.161151 (E_RNA)
where:
Base-Base interactions energy: -93.570
where: short stacking energy: -82.697
Base-Backbone interact. energy: -0.105
local terms energy: -177.485961
where:
bonds (distance) C4'-P energy: -59.580
bonds (distance) P-C4' energy: -63.637
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -31.251
tors. eta vs tors. theta energy: 7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -269.149531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.149531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.149531 (E_RNA)
where:
Base-Base interactions energy: -86.319
where: short stacking energy: -72.307
Base-Backbone interact. energy: -0.256
local terms energy: -182.574294
where:
bonds (distance) C4'-P energy: -61.156
bonds (distance) P-C4' energy: -68.020
flat angles C4'-P-C4' energy: -39.566
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: 11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1085.321851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.321851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.321851 (E_RNA)
where:
Base-Base interactions energy: -753.324
where: short stacking energy: -285.697
Base-Backbone interact. energy: -1.372
local terms energy: -330.626097
where:
bonds (distance) C4'-P energy: -60.066
bonds (distance) P-C4' energy: -69.797
flat angles C4'-P-C4' energy: -72.913
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -91.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1048.257480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.257480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.257480 (E_RNA)
where:
Base-Base interactions energy: -715.527
where: short stacking energy: -315.912
Base-Backbone interact. energy: -0.984
local terms energy: -331.746523
where:
bonds (distance) C4'-P energy: -64.873
bonds (distance) P-C4' energy: -56.816
flat angles C4'-P-C4' energy: -60.736
flat angles P-C4'-P energy: -51.819
tors. eta vs tors. theta energy: -97.503
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: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -990.203294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.203294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.203294 (E_RNA)
where:
Base-Base interactions energy: -667.441
where: short stacking energy: -284.187
Base-Backbone interact. energy: -1.526
local terms energy: -321.236515
where:
bonds (distance) C4'-P energy: -58.251
bonds (distance) P-C4' energy: -70.769
flat angles C4'-P-C4' energy: -64.461
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: -82.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -910.473655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.473655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.473655 (E_RNA)
where:
Base-Base interactions energy: -581.104
where: short stacking energy: -265.186
Base-Backbone interact. energy: -0.873
local terms energy: -328.496467
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -64.145
flat angles C4'-P-C4' energy: -69.837
flat angles P-C4'-P energy: -52.180
tors. eta vs tors. theta energy: -80.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -809.158388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.158388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.158388 (E_RNA)
where:
Base-Base interactions energy: -512.213
where: short stacking energy: -239.866
Base-Backbone interact. energy: -1.053
local terms energy: -295.891781
where:
bonds (distance) C4'-P energy: -61.475
bonds (distance) P-C4' energy: -64.335
flat angles C4'-P-C4' energy: -58.381
flat angles P-C4'-P energy: -39.979
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: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -630.814167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.814167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.814167 (E_RNA)
where:
Base-Base interactions energy: -372.203
where: short stacking energy: -169.150
Base-Backbone interact. energy: 5.161
local terms energy: -263.772153
where:
bonds (distance) C4'-P energy: -66.876
bonds (distance) P-C4' energy: -57.582
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -41.707
tors. eta vs tors. theta energy: -31.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -323.542079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.542079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.542079 (E_RNA)
where:
Base-Base interactions energy: -108.346
where: short stacking energy: -90.776
Base-Backbone interact. energy: -1.717
local terms energy: -213.752336
where:
bonds (distance) C4'-P energy: -60.917
bonds (distance) P-C4' energy: -62.007
flat angles C4'-P-C4' energy: -59.837
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.273 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -328.263589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.263589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.263589 (E_RNA)
where:
Base-Base interactions energy: -145.312
where: short stacking energy: -71.025
Base-Backbone interact. energy: 1.023
local terms energy: -183.974598
where:
bonds (distance) C4'-P energy: -52.776
bonds (distance) P-C4' energy: -60.558
flat angles C4'-P-C4' energy: -49.552
flat angles P-C4'-P energy: -30.540
tors. eta vs tors. theta energy: 9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -287.885601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.885601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.885601 (E_RNA)
where:
Base-Base interactions energy: -97.602
where: short stacking energy: -74.606
Base-Backbone interact. energy: -0.270
local terms energy: -190.013417
where:
bonds (distance) C4'-P energy: -66.740
bonds (distance) P-C4' energy: -53.825
flat angles C4'-P-C4' energy: -49.890
flat angles P-C4'-P energy: -28.356
tors. eta vs tors. theta energy: 8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -253.904151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.904151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.904151 (E_RNA)
where:
Base-Base interactions energy: -107.872
where: short stacking energy: -85.812
Base-Backbone interact. energy: -0.628
local terms energy: -145.404506
where:
bonds (distance) C4'-P energy: -43.242
bonds (distance) P-C4' energy: -47.026
flat angles C4'-P-C4' energy: -36.771
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: 6.771
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: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1102.698756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.698756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.698756 (E_RNA)
where:
Base-Base interactions energy: -753.561
where: short stacking energy: -301.129
Base-Backbone interact. energy: -0.843
local terms energy: -348.293883
where:
bonds (distance) C4'-P energy: -73.116
bonds (distance) P-C4' energy: -56.697
flat angles C4'-P-C4' energy: -73.125
flat angles P-C4'-P energy: -53.713
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: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1011.174289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.174289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.174289 (E_RNA)
where:
Base-Base interactions energy: -669.346
where: short stacking energy: -265.258
Base-Backbone interact. energy: -1.174
local terms energy: -340.654564
where:
bonds (distance) C4'-P energy: -73.819
bonds (distance) P-C4' energy: -71.004
flat angles C4'-P-C4' energy: -71.757
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -77.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1029.056897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.056897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.056897 (E_RNA)
where:
Base-Base interactions energy: -691.321
where: short stacking energy: -317.159
Base-Backbone interact. energy: -1.639
local terms energy: -336.097232
where:
bonds (distance) C4'-P energy: -57.745
bonds (distance) P-C4' energy: -65.534
flat angles C4'-P-C4' energy: -66.334
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -105.416
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: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -823.696848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.696848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.696848 (E_RNA)
where:
Base-Base interactions energy: -509.784
where: short stacking energy: -238.069
Base-Backbone interact. energy: 2.016
local terms energy: -315.928603
where:
bonds (distance) C4'-P energy: -63.444
bonds (distance) P-C4' energy: -65.462
flat angles C4'-P-C4' energy: -67.200
flat angles P-C4'-P energy: -45.429
tors. eta vs tors. theta energy: -74.394
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: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -838.458263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.458263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.458263 (E_RNA)
where:
Base-Base interactions energy: -527.783
where: short stacking energy: -237.774
Base-Backbone interact. energy: -0.678
local terms energy: -309.997399
where:
bonds (distance) C4'-P energy: -60.942
bonds (distance) P-C4' energy: -64.118
flat angles C4'-P-C4' energy: -63.359
flat angles P-C4'-P energy: -41.587
tors. eta vs tors. theta energy: -79.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -566.864686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.864686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.864686 (E_RNA)
where:
Base-Base interactions energy: -327.420
where: short stacking energy: -168.752
Base-Backbone interact. energy: -1.610
local terms energy: -237.834478
where:
bonds (distance) C4'-P energy: -54.968
bonds (distance) P-C4' energy: -62.455
flat angles C4'-P-C4' energy: -59.843
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: -31.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -329.002787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.002787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.002787 (E_RNA)
where:
Base-Base interactions energy: -124.472
where: short stacking energy: -91.134
Base-Backbone interact. energy: 4.147
local terms energy: -208.677863
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -57.776
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -390.815587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.815587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.815587 (E_RNA)
where:
Base-Base interactions energy: -189.269
where: short stacking energy: -102.244
Base-Backbone interact. energy: -2.056
local terms energy: -199.491140
where:
bonds (distance) C4'-P energy: -51.160
bonds (distance) P-C4' energy: -56.564
flat angles C4'-P-C4' energy: -58.104
flat angles P-C4'-P energy: -36.901
tors. eta vs tors. theta energy: 3.237
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: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -286.824986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.824986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.824986 (E_RNA)
where:
Base-Base interactions energy: -116.541
where: short stacking energy: -83.543
Base-Backbone interact. energy: 0.196
local terms energy: -170.479827
where:
bonds (distance) C4'-P energy: -58.563
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -50.193
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: 3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -254.629223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.629223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.629223 (E_RNA)
where:
Base-Base interactions energy: -94.548
where: short stacking energy: -67.208
Base-Backbone interact. energy: -1.876
local terms energy: -158.205786
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -52.369
flat angles C4'-P-C4' energy: -39.063
flat angles P-C4'-P energy: -30.417
tors. eta vs tors. theta energy: 17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1098.992271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.992271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.992271 (E_RNA)
where:
Base-Base interactions energy: -760.115
where: short stacking energy: -294.723
Base-Backbone interact. energy: -1.002
local terms energy: -337.875688
where:
bonds (distance) C4'-P energy: -65.211
bonds (distance) P-C4' energy: -66.092
flat angles C4'-P-C4' energy: -70.125
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -91.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -988.569013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.569013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.569013 (E_RNA)
where:
Base-Base interactions energy: -664.956
where: short stacking energy: -265.168
Base-Backbone interact. energy: -1.037
local terms energy: -322.576039
where:
bonds (distance) C4'-P energy: -68.166
bonds (distance) P-C4' energy: -63.147
flat angles C4'-P-C4' energy: -63.773
flat angles P-C4'-P energy: -45.131
tors. eta vs tors. theta energy: -82.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1036.175584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.175584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.175584 (E_RNA)
where:
Base-Base interactions energy: -690.096
where: short stacking energy: -300.416
Base-Backbone interact. energy: -0.559
local terms energy: -345.520042
where:
bonds (distance) C4'-P energy: -55.240
bonds (distance) P-C4' energy: -76.500
flat angles C4'-P-C4' energy: -63.469
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -105.165
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: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -812.425011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.425011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.425011 (E_RNA)
where:
Base-Base interactions energy: -525.954
where: short stacking energy: -246.399
Base-Backbone interact. energy: -1.332
local terms energy: -285.138650
where:
bonds (distance) C4'-P energy: -57.900
bonds (distance) P-C4' energy: -55.566
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -45.479
tors. eta vs tors. theta energy: -62.337
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: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -872.335560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.335560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.335560 (E_RNA)
where:
Base-Base interactions energy: -573.598
where: short stacking energy: -239.265
Base-Backbone interact. energy: -1.669
local terms energy: -297.068321
where:
bonds (distance) C4'-P energy: -52.295
bonds (distance) P-C4' energy: -63.423
flat angles C4'-P-C4' energy: -68.289
flat angles P-C4'-P energy: -45.251
tors. eta vs tors. theta energy: -67.810
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: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -636.365632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.365632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.365632 (E_RNA)
where:
Base-Base interactions energy: -368.394
where: short stacking energy: -186.475
Base-Backbone interact. energy: -0.842
local terms energy: -267.129592
where:
bonds (distance) C4'-P energy: -54.684
bonds (distance) P-C4' energy: -60.455
flat angles C4'-P-C4' energy: -69.019
flat angles P-C4'-P energy: -41.859
tors. eta vs tors. theta energy: -41.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -392.983859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.983859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.983859 (E_RNA)
where:
Base-Base interactions energy: -170.972
where: short stacking energy: -90.580
Base-Backbone interact. energy: -3.815
local terms energy: -218.197431
where:
bonds (distance) C4'-P energy: -59.211
bonds (distance) P-C4' energy: -65.718
flat angles C4'-P-C4' energy: -45.551
flat angles P-C4'-P energy: -48.082
tors. eta vs tors. theta energy: 0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -304.573948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.573948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.573948 (E_RNA)
where:
Base-Base interactions energy: -122.424
where: short stacking energy: -76.117
Base-Backbone interact. energy: -1.252
local terms energy: -180.897865
where:
bonds (distance) C4'-P energy: -57.445
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -50.693
flat angles P-C4'-P energy: -32.347
tors. eta vs tors. theta energy: 11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -299.331605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.331605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.331605 (E_RNA)
where:
Base-Base interactions energy: -124.188
where: short stacking energy: -59.981
Base-Backbone interact. energy: 1.303
local terms energy: -176.446833
where:
bonds (distance) C4'-P energy: -53.906
bonds (distance) P-C4' energy: -55.360
flat angles C4'-P-C4' energy: -57.767
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: 14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -276.797380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.797380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.797380 (E_RNA)
where:
Base-Base interactions energy: -95.680
where: short stacking energy: -69.268
Base-Backbone interact. energy: -1.371
local terms energy: -182.433436
where:
bonds (distance) C4'-P energy: -61.926
bonds (distance) P-C4' energy: -52.032
flat angles C4'-P-C4' energy: -48.852
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: 7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.687 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1115.204627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.204627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.204627 (E_RNA)
where:
Base-Base interactions energy: -774.523
where: short stacking energy: -303.784
Base-Backbone interact. energy: -0.012
local terms energy: -340.669761
where:
bonds (distance) C4'-P energy: -61.918
bonds (distance) P-C4' energy: -63.718
flat angles C4'-P-C4' energy: -69.451
flat angles P-C4'-P energy: -48.724
tors. eta vs tors. theta energy: -96.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1053.172950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.172950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.172950 (E_RNA)
where:
Base-Base interactions energy: -686.563
where: short stacking energy: -302.625
Base-Backbone interact. energy: -0.967
local terms energy: -365.642957
where:
bonds (distance) C4'-P energy: -67.651
bonds (distance) P-C4' energy: -72.687
flat angles C4'-P-C4' energy: -71.509
flat angles P-C4'-P energy: -49.990
tors. eta vs tors. theta energy: -103.806
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: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -973.697636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.697636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.697636 (E_RNA)
where:
Base-Base interactions energy: -648.827
where: short stacking energy: -276.148
Base-Backbone interact. energy: 0.778
local terms energy: -325.648779
where:
bonds (distance) C4'-P energy: -47.281
bonds (distance) P-C4' energy: -67.913
flat angles C4'-P-C4' energy: -69.154
flat angles P-C4'-P energy: -50.703
tors. eta vs tors. theta energy: -90.598
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: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -940.694681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.694681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.694681 (E_RNA)
where:
Base-Base interactions energy: -617.725
where: short stacking energy: -272.358
Base-Backbone interact. energy: -1.189
local terms energy: -321.780617
where:
bonds (distance) C4'-P energy: -51.084
bonds (distance) P-C4' energy: -71.440
flat angles C4'-P-C4' energy: -70.418
flat angles P-C4'-P energy: -46.106
tors. eta vs tors. theta energy: -82.731
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: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -804.736007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.736007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.736007 (E_RNA)
where:
Base-Base interactions energy: -538.954
where: short stacking energy: -228.671
Base-Backbone interact. energy: -0.737
local terms energy: -265.045557
where:
bonds (distance) C4'-P energy: -53.139
bonds (distance) P-C4' energy: -51.619
flat angles C4'-P-C4' energy: -60.861
flat angles P-C4'-P energy: -42.844
tors. eta vs tors. theta energy: -56.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -600.383523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.383523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.383523 (E_RNA)
where:
Base-Base interactions energy: -368.481
where: short stacking energy: -166.873
Base-Backbone interact. energy: 1.402
local terms energy: -233.305151
where:
bonds (distance) C4'-P energy: -47.750
bonds (distance) P-C4' energy: -58.687
flat angles C4'-P-C4' energy: -54.312
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -35.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -383.274987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.274987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.274987 (E_RNA)
where:
Base-Base interactions energy: -195.055
where: short stacking energy: -104.504
Base-Backbone interact. energy: 1.183
local terms energy: -189.403373
where:
bonds (distance) C4'-P energy: -62.140
bonds (distance) P-C4' energy: -65.103
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -21.234
tors. eta vs tors. theta energy: 9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -325.118889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.118889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.118889 (E_RNA)
where:
Base-Base interactions energy: -139.170
where: short stacking energy: -98.529
Base-Backbone interact. energy: -0.214
local terms energy: -185.734660
where:
bonds (distance) C4'-P energy: -57.492
bonds (distance) P-C4' energy: -56.979
flat angles C4'-P-C4' energy: -35.133
flat angles P-C4'-P energy: -32.022
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -309.685041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.685041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.685041 (E_RNA)
where:
Base-Base interactions energy: -149.437
where: short stacking energy: -92.472
Base-Backbone interact. energy: -1.093
local terms energy: -159.155027
where:
bonds (distance) C4'-P energy: -40.146
bonds (distance) P-C4' energy: -61.347
flat angles C4'-P-C4' energy: -50.446
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: 5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -283.853637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.853637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.853637 (E_RNA)
where:
Base-Base interactions energy: -139.269
where: short stacking energy: -79.755
Base-Backbone interact. energy: -1.196
local terms energy: -143.388173
where:
bonds (distance) C4'-P energy: -39.885
bonds (distance) P-C4' energy: -48.686
flat angles C4'-P-C4' energy: -41.000
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: 10.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1121.039908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.039908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.039908 (E_RNA)
where:
Base-Base interactions energy: -778.293
where: short stacking energy: -309.881
Base-Backbone interact. energy: 0.859
local terms energy: -343.605498
where:
bonds (distance) C4'-P energy: -62.687
bonds (distance) P-C4' energy: -62.037
flat angles C4'-P-C4' energy: -72.618
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -99.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1078.455619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.455619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.455619 (E_RNA)
where:
Base-Base interactions energy: -715.874
where: short stacking energy: -332.476
Base-Backbone interact. energy: -0.552
local terms energy: -362.029416
where:
bonds (distance) C4'-P energy: -66.819
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -71.409
flat angles P-C4'-P energy: -53.113
tors. eta vs tors. theta energy: -110.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -971.957089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.957089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.957089 (E_RNA)
where:
Base-Base interactions energy: -638.591
where: short stacking energy: -272.268
Base-Backbone interact. energy: -1.603
local terms energy: -331.763657
where:
bonds (distance) C4'-P energy: -60.328
bonds (distance) P-C4' energy: -73.842
flat angles C4'-P-C4' energy: -63.636
flat angles P-C4'-P energy: -46.843
tors. eta vs tors. theta energy: -87.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -919.718584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.718584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.718584 (E_RNA)
where:
Base-Base interactions energy: -586.297
where: short stacking energy: -273.689
Base-Backbone interact. energy: -1.303
local terms energy: -332.118379
where:
bonds (distance) C4'-P energy: -61.397
bonds (distance) P-C4' energy: -67.417
flat angles C4'-P-C4' energy: -72.034
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -86.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -820.475360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.475360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.475360 (E_RNA)
where:
Base-Base interactions energy: -526.554
where: short stacking energy: -242.154
Base-Backbone interact. energy: -1.119
local terms energy: -292.802077
where:
bonds (distance) C4'-P energy: -57.159
bonds (distance) P-C4' energy: -59.120
flat angles C4'-P-C4' energy: -69.321
flat angles P-C4'-P energy: -35.440
tors. eta vs tors. theta energy: -71.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -581.709516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.709516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.709516 (E_RNA)
where:
Base-Base interactions energy: -331.499
where: short stacking energy: -146.590
Base-Backbone interact. energy: -1.235
local terms energy: -248.976420
where:
bonds (distance) C4'-P energy: -62.014
bonds (distance) P-C4' energy: -55.000
flat angles C4'-P-C4' energy: -63.567
flat angles P-C4'-P energy: -36.378
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: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -341.797347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.797347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.797347 (E_RNA)
where:
Base-Base interactions energy: -137.919
where: short stacking energy: -85.347
Base-Backbone interact. energy: 0.088
local terms energy: -203.966247
where:
bonds (distance) C4'-P energy: -57.803
bonds (distance) P-C4' energy: -63.668
flat angles C4'-P-C4' energy: -62.765
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: 3.563
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: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -361.866581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.866581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.866581 (E_RNA)
where:
Base-Base interactions energy: -166.573
where: short stacking energy: -75.945
Base-Backbone interact. energy: -0.807
local terms energy: -194.486315
where:
bonds (distance) C4'-P energy: -47.952
bonds (distance) P-C4' energy: -58.595
flat angles C4'-P-C4' energy: -54.724
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -2.606
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: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -280.040976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.040976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.040976 (E_RNA)
where:
Base-Base interactions energy: -94.340
where: short stacking energy: -77.089
Base-Backbone interact. energy: -2.038
local terms energy: -183.662820
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -62.938
flat angles C4'-P-C4' energy: -36.912
flat angles P-C4'-P energy: -31.851
tors. eta vs tors. theta energy: 7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -275.950367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.950367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.950367 (E_RNA)
where:
Base-Base interactions energy: -100.478
where: short stacking energy: -46.684
Base-Backbone interact. energy: -2.103
local terms energy: -174.393163
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -59.574
flat angles C4'-P-C4' energy: -46.458
flat angles P-C4'-P energy: -32.133
tors. eta vs tors. theta energy: 16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.024 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1116.647909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.647909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.647909 (E_RNA)
where:
Base-Base interactions energy: -775.169
where: short stacking energy: -305.194
Base-Backbone interact. energy: -0.658
local terms energy: -340.820928
where:
bonds (distance) C4'-P energy: -59.238
bonds (distance) P-C4' energy: -65.611
flat angles C4'-P-C4' energy: -68.080
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: -104.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1058.186360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.186360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.186360 (E_RNA)
where:
Base-Base interactions energy: -696.195
where: short stacking energy: -315.755
Base-Backbone interact. energy: -0.365
local terms energy: -361.626393
where:
bonds (distance) C4'-P energy: -68.194
bonds (distance) P-C4' energy: -68.716
flat angles C4'-P-C4' energy: -65.873
flat angles P-C4'-P energy: -49.880
tors. eta vs tors. theta energy: -108.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1007.416087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.416087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.416087 (E_RNA)
where:
Base-Base interactions energy: -656.378
where: short stacking energy: -264.731
Base-Backbone interact. energy: -0.658
local terms energy: -350.380476
where:
bonds (distance) C4'-P energy: -66.622
bonds (distance) P-C4' energy: -70.702
flat angles C4'-P-C4' energy: -72.388
flat angles P-C4'-P energy: -49.382
tors. eta vs tors. theta energy: -91.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -919.406645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.406645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.406645 (E_RNA)
where:
Base-Base interactions energy: -603.174
where: short stacking energy: -265.088
Base-Backbone interact. energy: -1.784
local terms energy: -314.448132
where:
bonds (distance) C4'-P energy: -65.026
bonds (distance) P-C4' energy: -55.991
flat angles C4'-P-C4' energy: -63.312
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -81.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -868.277259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.277259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.277259 (E_RNA)
where:
Base-Base interactions energy: -543.280
where: short stacking energy: -247.865
Base-Backbone interact. energy: -0.869
local terms energy: -324.128399
where:
bonds (distance) C4'-P energy: -63.715
bonds (distance) P-C4' energy: -71.124
flat angles C4'-P-C4' energy: -71.128
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -86.413
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: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -586.373745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.373745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.373745 (E_RNA)
where:
Base-Base interactions energy: -336.021
where: short stacking energy: -156.993
Base-Backbone interact. energy: -1.751
local terms energy: -248.602174
where:
bonds (distance) C4'-P energy: -58.145
bonds (distance) P-C4' energy: -64.613
flat angles C4'-P-C4' energy: -52.505
flat angles P-C4'-P energy: -43.334
tors. eta vs tors. theta energy: -30.005
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: 321
Temperature: 1.200000
Total energy: -344.536224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.536224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.536224 (E_RNA)
where:
Base-Base interactions energy: -135.489
where: short stacking energy: -98.874
Base-Backbone interact. energy: -1.786
local terms energy: -207.261914
where:
bonds (distance) C4'-P energy: -61.163
bonds (distance) P-C4' energy: -64.452
flat angles C4'-P-C4' energy: -45.368
flat angles P-C4'-P energy: -35.997
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -371.934565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.934565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.934565 (E_RNA)
where:
Base-Base interactions energy: -170.783
where: short stacking energy: -97.654
Base-Backbone interact. energy: 0.338
local terms energy: -201.489686
where:
bonds (distance) C4'-P energy: -63.714
bonds (distance) P-C4' energy: -62.118
flat angles C4'-P-C4' energy: -40.076
flat angles P-C4'-P energy: -34.264
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -275.685605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.685605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.685605 (E_RNA)
where:
Base-Base interactions energy: -95.722
where: short stacking energy: -71.579
Base-Backbone interact. energy: -1.242
local terms energy: -178.721202
where:
bonds (distance) C4'-P energy: -57.443
bonds (distance) P-C4' energy: -53.470
flat angles C4'-P-C4' energy: -59.479
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: 7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -246.620331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.620331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.620331 (E_RNA)
where:
Base-Base interactions energy: -70.851
where: short stacking energy: -63.013
Base-Backbone interact. energy: 4.310
local terms energy: -180.079639
where:
bonds (distance) C4'-P energy: -50.196
bonds (distance) P-C4' energy: -62.595
flat angles C4'-P-C4' energy: -46.921
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: 6.434
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: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1139.959498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.959498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.959498 (E_RNA)
where:
Base-Base interactions energy: -779.272
where: short stacking energy: -320.329
Base-Backbone interact. energy: -3.309
local terms energy: -357.378559
where:
bonds (distance) C4'-P energy: -61.139
bonds (distance) P-C4' energy: -66.310
flat angles C4'-P-C4' energy: -79.681
flat angles P-C4'-P energy: -45.505
tors. eta vs tors. theta energy: -104.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1075.281596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.281596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.281596 (E_RNA)
where:
Base-Base interactions energy: -710.966
where: short stacking energy: -329.219
Base-Backbone interact. energy: 0.722
local terms energy: -365.037760
where:
bonds (distance) C4'-P energy: -72.834
bonds (distance) P-C4' energy: -70.630
flat angles C4'-P-C4' energy: -63.097
flat angles P-C4'-P energy: -43.096
tors. eta vs tors. theta energy: -115.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -989.487801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.487801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.487801 (E_RNA)
where:
Base-Base interactions energy: -645.257
where: short stacking energy: -260.248
Base-Backbone interact. energy: -1.769
local terms energy: -342.462322
where:
bonds (distance) C4'-P energy: -62.827
bonds (distance) P-C4' energy: -77.821
flat angles C4'-P-C4' energy: -73.155
flat angles P-C4'-P energy: -46.228
tors. eta vs tors. theta energy: -82.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -885.357242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.357242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.357242 (E_RNA)
where:
Base-Base interactions energy: -569.666
where: short stacking energy: -249.130
Base-Backbone interact. energy: -0.347
local terms energy: -315.344289
where:
bonds (distance) C4'-P energy: -62.469
bonds (distance) P-C4' energy: -66.198
flat angles C4'-P-C4' energy: -66.907
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -76.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -822.541580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.541580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.541580 (E_RNA)
where:
Base-Base interactions energy: -531.634
where: short stacking energy: -240.030
Base-Backbone interact. energy: 0.523
local terms energy: -291.430631
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -66.855
flat angles C4'-P-C4' energy: -54.225
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -70.559
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: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -557.030248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.030248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.030248 (E_RNA)
where:
Base-Base interactions energy: -322.371
where: short stacking energy: -155.666
Base-Backbone interact. energy: -1.671
local terms energy: -232.987491
where:
bonds (distance) C4'-P energy: -69.689
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -56.355
flat angles P-C4'-P energy: -30.110
tors. eta vs tors. theta energy: -30.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -361.680600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.680600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.680600 (E_RNA)
where:
Base-Base interactions energy: -160.818
where: short stacking energy: -104.216
Base-Backbone interact. energy: -0.919
local terms energy: -199.943288
where:
bonds (distance) C4'-P energy: -38.771
bonds (distance) P-C4' energy: -62.342
flat angles C4'-P-C4' energy: -54.716
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -292.767352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.767352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.767352 (E_RNA)
where:
Base-Base interactions energy: -91.843
where: short stacking energy: -77.696
Base-Backbone interact. energy: -2.442
local terms energy: -198.482345
where:
bonds (distance) C4'-P energy: -52.539
bonds (distance) P-C4' energy: -62.026
flat angles C4'-P-C4' energy: -52.171
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -308.096111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.096111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.096111 (E_RNA)
where:
Base-Base interactions energy: -123.280
where: short stacking energy: -77.642
Base-Backbone interact. energy: 2.546
local terms energy: -188.603440
where:
bonds (distance) C4'-P energy: -57.053
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -43.934
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: 2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.242 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -262.238908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.238908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.238908 (E_RNA)
where:
Base-Base interactions energy: -97.011
where: short stacking energy: -61.198
Base-Backbone interact. energy: -2.716
local terms energy: -162.511348
where:
bonds (distance) C4'-P energy: -46.775
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -40.797
flat angles P-C4'-P energy: -35.716
tors. eta vs tors. theta energy: 21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1121.736536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.736536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.736536 (E_RNA)
where:
Base-Base interactions energy: -761.778
where: short stacking energy: -301.458
Base-Backbone interact. energy: 1.847
local terms energy: -361.805638
where:
bonds (distance) C4'-P energy: -70.678
bonds (distance) P-C4' energy: -68.825
flat angles C4'-P-C4' energy: -66.848
flat angles P-C4'-P energy: -55.286
tors. eta vs tors. theta energy: -100.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1067.815050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.815050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.815050 (E_RNA)
where:
Base-Base interactions energy: -686.448
where: short stacking energy: -336.446
Base-Backbone interact. energy: -0.878
local terms energy: -380.489367
where:
bonds (distance) C4'-P energy: -69.134
bonds (distance) P-C4' energy: -67.185
flat angles C4'-P-C4' energy: -79.932
flat angles P-C4'-P energy: -48.130
tors. eta vs tors. theta energy: -116.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1012.027632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.027632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.027632 (E_RNA)
where:
Base-Base interactions energy: -678.629
where: short stacking energy: -285.354
Base-Backbone interact. energy: -0.708
local terms energy: -332.690850
where:
bonds (distance) C4'-P energy: -55.118
bonds (distance) P-C4' energy: -66.597
flat angles C4'-P-C4' energy: -75.717
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -90.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -879.936924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.936924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.936924 (E_RNA)
where:
Base-Base interactions energy: -573.842
where: short stacking energy: -253.719
Base-Backbone interact. energy: -0.486
local terms energy: -305.609119
where:
bonds (distance) C4'-P energy: -68.092
bonds (distance) P-C4' energy: -51.155
flat angles C4'-P-C4' energy: -63.300
flat angles P-C4'-P energy: -47.490
tors. eta vs tors. theta energy: -75.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -794.605085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.605085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.605085 (E_RNA)
where:
Base-Base interactions energy: -499.318
where: short stacking energy: -233.745
Base-Backbone interact. energy: -0.333
local terms energy: -294.954006
where:
bonds (distance) C4'-P energy: -52.897
bonds (distance) P-C4' energy: -58.399
flat angles C4'-P-C4' energy: -72.402
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -68.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -560.266667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.266667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.266667 (E_RNA)
where:
Base-Base interactions energy: -321.955
where: short stacking energy: -152.071
Base-Backbone interact. energy: -1.912
local terms energy: -236.399971
where:
bonds (distance) C4'-P energy: -64.219
bonds (distance) P-C4' energy: -69.115
flat angles C4'-P-C4' energy: -43.926
flat angles P-C4'-P energy: -40.159
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -331.113793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.113793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.113793 (E_RNA)
where:
Base-Base interactions energy: -158.718
where: short stacking energy: -74.800
Base-Backbone interact. energy: 1.928
local terms energy: -174.323966
where:
bonds (distance) C4'-P energy: -55.943
bonds (distance) P-C4' energy: -54.330
flat angles C4'-P-C4' energy: -44.819
flat angles P-C4'-P energy: -35.245
tors. eta vs tors. theta energy: 16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -374.430015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.430015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.430015 (E_RNA)
where:
Base-Base interactions energy: -167.683
where: short stacking energy: -96.660
Base-Backbone interact. energy: 2.262
local terms energy: -209.008179
where:
bonds (distance) C4'-P energy: -57.521
bonds (distance) P-C4' energy: -61.210
flat angles C4'-P-C4' energy: -54.171
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -279.164457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.164457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.164457 (E_RNA)
where:
Base-Base interactions energy: -103.475
where: short stacking energy: -59.726
Base-Backbone interact. energy: 0.308
local terms energy: -175.997892
where:
bonds (distance) C4'-P energy: -58.305
bonds (distance) P-C4' energy: -54.643
flat angles C4'-P-C4' energy: -47.095
flat angles P-C4'-P energy: -31.123
tors. eta vs tors. theta energy: 15.168
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: 323
Temperature: 1.350000
Total energy: -261.707623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.707623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.707623 (E_RNA)
where:
Base-Base interactions energy: -92.194
where: short stacking energy: -78.992
Base-Backbone interact. energy: -0.857
local terms energy: -168.655957
where:
bonds (distance) C4'-P energy: -60.853
bonds (distance) P-C4' energy: -62.143
flat angles C4'-P-C4' energy: -45.660
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: 13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1136.016378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.016378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.016378 (E_RNA)
where:
Base-Base interactions energy: -769.625
where: short stacking energy: -291.922
Base-Backbone interact. energy: -1.546
local terms energy: -364.845247
where:
bonds (distance) C4'-P energy: -68.254
bonds (distance) P-C4' energy: -72.830
flat angles C4'-P-C4' energy: -78.070
flat angles P-C4'-P energy: -50.672
tors. eta vs tors. theta energy: -95.019
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: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1073.225561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.225561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.225561 (E_RNA)
where:
Base-Base interactions energy: -692.593
where: short stacking energy: -329.297
Base-Backbone interact. energy: -1.016
local terms energy: -379.615962
where:
bonds (distance) C4'-P energy: -62.071
bonds (distance) P-C4' energy: -69.728
flat angles C4'-P-C4' energy: -81.772
flat angles P-C4'-P energy: -53.305
tors. eta vs tors. theta energy: -112.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -942.627047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.627047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.627047 (E_RNA)
where:
Base-Base interactions energy: -604.675
where: short stacking energy: -264.305
Base-Backbone interact. energy: -0.007
local terms energy: -337.944572
where:
bonds (distance) C4'-P energy: -65.459
bonds (distance) P-C4' energy: -66.948
flat angles C4'-P-C4' energy: -79.415
flat angles P-C4'-P energy: -48.636
tors. eta vs tors. theta energy: -77.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -973.184711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.184711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.184711 (E_RNA)
where:
Base-Base interactions energy: -663.485
where: short stacking energy: -260.636
Base-Backbone interact. energy: -2.548
local terms energy: -307.151855
where:
bonds (distance) C4'-P energy: -57.245
bonds (distance) P-C4' energy: -59.130
flat angles C4'-P-C4' energy: -72.632
flat angles P-C4'-P energy: -37.622
tors. eta vs tors. theta energy: -80.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -824.196924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.196924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.196924 (E_RNA)
where:
Base-Base interactions energy: -541.452
where: short stacking energy: -251.390
Base-Backbone interact. energy: -0.064
local terms energy: -282.681628
where:
bonds (distance) C4'-P energy: -53.630
bonds (distance) P-C4' energy: -56.921
flat angles C4'-P-C4' energy: -66.721
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -68.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -586.849556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.849556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.849556 (E_RNA)
where:
Base-Base interactions energy: -342.304
where: short stacking energy: -168.103
Base-Backbone interact. energy: -1.430
local terms energy: -243.114776
where:
bonds (distance) C4'-P energy: -64.730
bonds (distance) P-C4' energy: -54.785
flat angles C4'-P-C4' energy: -57.885
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: -20.923
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: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -343.188145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.188145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.188145 (E_RNA)
where:
Base-Base interactions energy: -140.424
where: short stacking energy: -104.032
Base-Backbone interact. energy: 1.062
local terms energy: -203.826191
where:
bonds (distance) C4'-P energy: -61.301
bonds (distance) P-C4' energy: -62.541
flat angles C4'-P-C4' energy: -36.474
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -10.150
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: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -288.660151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.660151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.660151 (E_RNA)
where:
Base-Base interactions energy: -99.821
where: short stacking energy: -92.643
Base-Backbone interact. energy: 0.610
local terms energy: -189.448800
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -63.826
flat angles C4'-P-C4' energy: -48.225
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: 2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -267.457289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.457289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.457289 (E_RNA)
where:
Base-Base interactions energy: -79.733
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.335
local terms energy: -187.390222
where:
bonds (distance) C4'-P energy: -51.748
bonds (distance) P-C4' energy: -50.174
flat angles C4'-P-C4' energy: -59.390
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: 3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -249.644221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.644221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.644221 (E_RNA)
where:
Base-Base interactions energy: -82.734
where: short stacking energy: -78.407
Base-Backbone interact. energy: 0.744
local terms energy: -167.654038
where:
bonds (distance) C4'-P energy: -44.502
bonds (distance) P-C4' energy: -57.280
flat angles C4'-P-C4' energy: -48.158
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: 17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1132.452603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.452603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.452603 (E_RNA)
where:
Base-Base interactions energy: -783.934
where: short stacking energy: -295.060
Base-Backbone interact. energy: 3.981
local terms energy: -352.499339
where:
bonds (distance) C4'-P energy: -68.731
bonds (distance) P-C4' energy: -66.163
flat angles C4'-P-C4' energy: -66.758
flat angles P-C4'-P energy: -48.938
tors. eta vs tors. theta energy: -101.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1057.393048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.393048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.393048 (E_RNA)
where:
Base-Base interactions energy: -695.455
where: short stacking energy: -314.851
Base-Backbone interact. energy: -1.095
local terms energy: -360.842931
where:
bonds (distance) C4'-P energy: -66.990
bonds (distance) P-C4' energy: -66.177
flat angles C4'-P-C4' energy: -67.254
flat angles P-C4'-P energy: -55.320
tors. eta vs tors. theta energy: -105.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -957.778944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.778944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.778944 (E_RNA)
where:
Base-Base interactions energy: -622.871
where: short stacking energy: -264.692
Base-Backbone interact. energy: 0.446
local terms energy: -335.805819
where:
bonds (distance) C4'-P energy: -66.626
bonds (distance) P-C4' energy: -68.636
flat angles C4'-P-C4' energy: -70.721
flat angles P-C4'-P energy: -44.915
tors. eta vs tors. theta energy: -84.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.452 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -954.761969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.761969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.761969 (E_RNA)
where:
Base-Base interactions energy: -624.067
where: short stacking energy: -270.966
Base-Backbone interact. energy: -0.890
local terms energy: -329.805021
where:
bonds (distance) C4'-P energy: -57.930
bonds (distance) P-C4' energy: -61.228
flat angles C4'-P-C4' energy: -71.305
flat angles P-C4'-P energy: -49.995
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: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -792.924872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.924872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.924872 (E_RNA)
where:
Base-Base interactions energy: -498.418
where: short stacking energy: -251.352
Base-Backbone interact. energy: -1.065
local terms energy: -293.441301
where:
bonds (distance) C4'-P energy: -60.080
bonds (distance) P-C4' energy: -67.097
flat angles C4'-P-C4' energy: -58.219
flat angles P-C4'-P energy: -35.689
tors. eta vs tors. theta energy: -72.357
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: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -570.830813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.830813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.830813 (E_RNA)
where:
Base-Base interactions energy: -328.027
where: short stacking energy: -156.384
Base-Backbone interact. energy: -0.473
local terms energy: -242.330074
where:
bonds (distance) C4'-P energy: -52.802
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -51.591
flat angles P-C4'-P energy: -46.709
tors. eta vs tors. theta energy: -37.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -353.265509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.265509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.265509 (E_RNA)
where:
Base-Base interactions energy: -140.249
where: short stacking energy: -100.400
Base-Backbone interact. energy: 1.104
local terms energy: -214.120045
where:
bonds (distance) C4'-P energy: -67.607
bonds (distance) P-C4' energy: -57.259
flat angles C4'-P-C4' energy: -43.291
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -306.342598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.342598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.342598 (E_RNA)
where:
Base-Base interactions energy: -103.073
where: short stacking energy: -77.498
Base-Backbone interact. energy: -0.447
local terms energy: -202.822486
where:
bonds (distance) C4'-P energy: -58.656
bonds (distance) P-C4' energy: -54.698
flat angles C4'-P-C4' energy: -61.675
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: 9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -278.612504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.612504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.612504 (E_RNA)
where:
Base-Base interactions energy: -108.062
where: short stacking energy: -72.843
Base-Backbone interact. energy: -0.917
local terms energy: -169.634000
where:
bonds (distance) C4'-P energy: -62.444
bonds (distance) P-C4' energy: -47.270
flat angles C4'-P-C4' energy: -48.635
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: 13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -269.278530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.278530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.278530 (E_RNA)
where:
Base-Base interactions energy: -93.722
where: short stacking energy: -68.922
Base-Backbone interact. energy: -1.301
local terms energy: -174.255592
where:
bonds (distance) C4'-P energy: -49.868
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -43.342
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: 7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1131.126557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.126557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.126557 (E_RNA)
where:
Base-Base interactions energy: -799.923
where: short stacking energy: -303.444
Base-Backbone interact. energy: -0.123
local terms energy: -331.080335
where:
bonds (distance) C4'-P energy: -58.045
bonds (distance) P-C4' energy: -51.848
flat angles C4'-P-C4' energy: -75.488
flat angles P-C4'-P energy: -42.966
tors. eta vs tors. theta energy: -102.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1062.262061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.262061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.262061 (E_RNA)
where:
Base-Base interactions energy: -708.322
where: short stacking energy: -283.244
Base-Backbone interact. energy: -0.059
local terms energy: -353.880925
where:
bonds (distance) C4'-P energy: -64.860
bonds (distance) P-C4' energy: -62.790
flat angles C4'-P-C4' energy: -66.741
flat angles P-C4'-P energy: -51.116
tors. eta vs tors. theta energy: -108.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1028.567333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.567333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.567333 (E_RNA)
where:
Base-Base interactions energy: -668.873
where: short stacking energy: -294.531
Base-Backbone interact. energy: -1.272
local terms energy: -358.422670
where:
bonds (distance) C4'-P energy: -71.941
bonds (distance) P-C4' energy: -69.715
flat angles C4'-P-C4' energy: -72.873
flat angles P-C4'-P energy: -42.734
tors. eta vs tors. theta energy: -101.160
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: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -930.831225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.831225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.831225 (E_RNA)
where:
Base-Base interactions energy: -616.026
where: short stacking energy: -259.717
Base-Backbone interact. energy: -2.098
local terms energy: -314.066885
where:
bonds (distance) C4'-P energy: -55.727
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -74.867
flat angles P-C4'-P energy: -41.362
tors. eta vs tors. theta energy: -83.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.360 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -790.138425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.138425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.138425 (E_RNA)
where:
Base-Base interactions energy: -509.582
where: short stacking energy: -242.295
Base-Backbone interact. energy: -0.482
local terms energy: -280.075042
where:
bonds (distance) C4'-P energy: -56.113
bonds (distance) P-C4' energy: -46.350
flat angles C4'-P-C4' energy: -67.748
flat angles P-C4'-P energy: -47.235
tors. eta vs tors. theta energy: -62.630
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: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -614.487252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.487252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.487252 (E_RNA)
where:
Base-Base interactions energy: -361.330
where: short stacking energy: -166.656
Base-Backbone interact. energy: 3.041
local terms energy: -256.391279
where:
bonds (distance) C4'-P energy: -61.040
bonds (distance) P-C4' energy: -57.574
flat angles C4'-P-C4' energy: -59.209
flat angles P-C4'-P energy: -34.572
tors. eta vs tors. theta energy: -43.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.193 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -355.276484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.276484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.276484 (E_RNA)
where:
Base-Base interactions energy: -144.020
where: short stacking energy: -105.138
Base-Backbone interact. energy: -1.368
local terms energy: -209.888885
where:
bonds (distance) C4'-P energy: -48.406
bonds (distance) P-C4' energy: -69.170
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -311.899702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.899702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.899702 (E_RNA)
where:
Base-Base interactions energy: -129.149
where: short stacking energy: -82.023
Base-Backbone interact. energy: 0.283
local terms energy: -183.033298
where:
bonds (distance) C4'-P energy: -52.930
bonds (distance) P-C4' energy: -55.534
flat angles C4'-P-C4' energy: -55.164
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: 8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -295.312855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.312855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.312855 (E_RNA)
where:
Base-Base interactions energy: -91.318
where: short stacking energy: -67.151
Base-Backbone interact. energy: 1.794
local terms energy: -205.788560
where:
bonds (distance) C4'-P energy: -50.344
bonds (distance) P-C4' energy: -65.246
flat angles C4'-P-C4' energy: -48.042
flat angles P-C4'-P energy: -42.544
tors. eta vs tors. theta energy: 0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -267.358527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.358527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.358527 (E_RNA)
where:
Base-Base interactions energy: -106.608
where: short stacking energy: -75.716
Base-Backbone interact. energy: 1.096
local terms energy: -161.846648
where:
bonds (distance) C4'-P energy: -52.338
bonds (distance) P-C4' energy: -63.436
flat angles C4'-P-C4' energy: -35.057
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: 9.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1127.732425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.732425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.732425 (E_RNA)
where:
Base-Base interactions energy: -785.268
where: short stacking energy: -302.673
Base-Backbone interact. energy: -2.112
local terms energy: -340.352826
where:
bonds (distance) C4'-P energy: -71.145
bonds (distance) P-C4' energy: -62.628
flat angles C4'-P-C4' energy: -66.246
flat angles P-C4'-P energy: -48.267
tors. eta vs tors. theta energy: -92.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1057.423598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.423598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.423598 (E_RNA)
where:
Base-Base interactions energy: -698.724
where: short stacking energy: -313.534
Base-Backbone interact. energy: -0.634
local terms energy: -358.066075
where:
bonds (distance) C4'-P energy: -66.895
bonds (distance) P-C4' energy: -61.900
flat angles C4'-P-C4' energy: -70.619
flat angles P-C4'-P energy: -48.760
tors. eta vs tors. theta energy: -109.891
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: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -998.006416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.006416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.006416 (E_RNA)
where:
Base-Base interactions energy: -663.967
where: short stacking energy: -269.377
Base-Backbone interact. energy: 4.889
local terms energy: -339.386493
where:
bonds (distance) C4'-P energy: -69.956
bonds (distance) P-C4' energy: -65.576
flat angles C4'-P-C4' energy: -70.768
flat angles P-C4'-P energy: -47.638
tors. eta vs tors. theta energy: -85.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.458 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -941.769481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.769481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.769481 (E_RNA)
where:
Base-Base interactions energy: -614.233
where: short stacking energy: -250.051
Base-Backbone interact. energy: -1.338
local terms energy: -326.197793
where:
bonds (distance) C4'-P energy: -65.930
bonds (distance) P-C4' energy: -62.660
flat angles C4'-P-C4' energy: -68.123
flat angles P-C4'-P energy: -44.149
tors. eta vs tors. theta energy: -85.336
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: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -802.119816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.119816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.119816 (E_RNA)
where:
Base-Base interactions energy: -505.844
where: short stacking energy: -225.198
Base-Backbone interact. energy: -0.601
local terms energy: -295.674920
where:
bonds (distance) C4'-P energy: -60.629
bonds (distance) P-C4' energy: -69.783
flat angles C4'-P-C4' energy: -54.639
flat angles P-C4'-P energy: -44.850
tors. eta vs tors. theta energy: -65.773
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: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -606.319009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.319009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.319009 (E_RNA)
where:
Base-Base interactions energy: -351.918
where: short stacking energy: -163.274
Base-Backbone interact. energy: -1.106
local terms energy: -253.294475
where:
bonds (distance) C4'-P energy: -59.220
bonds (distance) P-C4' energy: -58.703
flat angles C4'-P-C4' energy: -64.993
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: -40.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -377.332348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.332348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.332348 (E_RNA)
where:
Base-Base interactions energy: -168.533
where: short stacking energy: -95.585
Base-Backbone interact. energy: -0.937
local terms energy: -207.862970
where:
bonds (distance) C4'-P energy: -64.680
bonds (distance) P-C4' energy: -60.514
flat angles C4'-P-C4' energy: -54.351
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: 4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -325.767378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.767378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.767378 (E_RNA)
where:
Base-Base interactions energy: -124.449
where: short stacking energy: -80.042
Base-Backbone interact. energy: -1.220
local terms energy: -200.098067
where:
bonds (distance) C4'-P energy: -59.062
bonds (distance) P-C4' energy: -66.780
flat angles C4'-P-C4' energy: -48.328
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: 6.567
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: 327
Temperature: 1.300000
Total energy: -270.958600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.958600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.958600 (E_RNA)
where:
Base-Base interactions energy: -90.008
where: short stacking energy: -72.232
Base-Backbone interact. energy: -1.425
local terms energy: -179.525343
where:
bonds (distance) C4'-P energy: -55.461
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -34.961
tors. eta vs tors. theta energy: -0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -270.314170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.314170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.314170 (E_RNA)
where:
Base-Base interactions energy: -119.636
where: short stacking energy: -55.354
Base-Backbone interact. energy: 1.634
local terms energy: -156.080040
where:
bonds (distance) C4'-P energy: -53.014
bonds (distance) P-C4' energy: -53.065
flat angles C4'-P-C4' energy: -43.813
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: 13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.768 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1144.466993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.466993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.466993 (E_RNA)
where:
Base-Base interactions energy: -795.081
where: short stacking energy: -311.829
Base-Backbone interact. energy: 0.733
local terms energy: -350.119701
where:
bonds (distance) C4'-P energy: -60.022
bonds (distance) P-C4' energy: -69.558
flat angles C4'-P-C4' energy: -64.556
flat angles P-C4'-P energy: -53.272
tors. eta vs tors. theta energy: -102.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1076.059613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.059613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.059613 (E_RNA)
where:
Base-Base interactions energy: -701.837
where: short stacking energy: -325.775
Base-Backbone interact. energy: -0.819
local terms energy: -373.403966
where:
bonds (distance) C4'-P energy: -67.050
bonds (distance) P-C4' energy: -64.135
flat angles C4'-P-C4' energy: -78.693
flat angles P-C4'-P energy: -53.280
tors. eta vs tors. theta energy: -110.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1019.848523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.848523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.848523 (E_RNA)
where:
Base-Base interactions energy: -695.200
where: short stacking energy: -279.005
Base-Backbone interact. energy: 2.165
local terms energy: -327.255777
where:
bonds (distance) C4'-P energy: -63.867
bonds (distance) P-C4' energy: -57.954
flat angles C4'-P-C4' energy: -62.317
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -97.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.442 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -964.754742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.754742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.754742 (E_RNA)
where:
Base-Base interactions energy: -655.998
where: short stacking energy: -282.698
Base-Backbone interact. energy: -1.192
local terms energy: -307.564473
where:
bonds (distance) C4'-P energy: -60.126
bonds (distance) P-C4' energy: -49.855
flat angles C4'-P-C4' energy: -65.037
flat angles P-C4'-P energy: -42.841
tors. eta vs tors. theta energy: -89.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -741.358880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.358880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.358880 (E_RNA)
where:
Base-Base interactions energy: -462.199
where: short stacking energy: -205.281
Base-Backbone interact. energy: -1.716
local terms energy: -277.443792
where:
bonds (distance) C4'-P energy: -57.426
bonds (distance) P-C4' energy: -62.105
flat angles C4'-P-C4' energy: -58.189
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -62.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -628.744574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.744574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.744574 (E_RNA)
where:
Base-Base interactions energy: -373.034
where: short stacking energy: -185.044
Base-Backbone interact. energy: -0.762
local terms energy: -254.948694
where:
bonds (distance) C4'-P energy: -64.078
bonds (distance) P-C4' energy: -49.567
flat angles C4'-P-C4' energy: -60.185
flat angles P-C4'-P energy: -37.603
tors. eta vs tors. theta energy: -43.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -405.809976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.809976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.809976 (E_RNA)
where:
Base-Base interactions energy: -187.959
where: short stacking energy: -108.246
Base-Backbone interact. energy: 0.253
local terms energy: -218.104553
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -68.165
flat angles C4'-P-C4' energy: -53.090
flat angles P-C4'-P energy: -36.889
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -297.840145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.840145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.840145 (E_RNA)
where:
Base-Base interactions energy: -109.673
where: short stacking energy: -70.189
Base-Backbone interact. energy: 2.194
local terms energy: -190.361421
where:
bonds (distance) C4'-P energy: -56.490
bonds (distance) P-C4' energy: -60.343
flat angles C4'-P-C4' energy: -51.887
flat angles P-C4'-P energy: -30.614
tors. eta vs tors. theta energy: 8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -286.025347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.025347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.025347 (E_RNA)
where:
Base-Base interactions energy: -111.836
where: short stacking energy: -61.666
Base-Backbone interact. energy: -2.464
local terms energy: -172.436398
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -61.986
flat angles C4'-P-C4' energy: -57.213
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: 23.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.711 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -264.340062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.340062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.340062 (E_RNA)
where:
Base-Base interactions energy: -76.632
where: short stacking energy: -59.369
Base-Backbone interact. energy: -0.675
local terms energy: -187.033221
where:
bonds (distance) C4'-P energy: -50.386
bonds (distance) P-C4' energy: -60.716
flat angles C4'-P-C4' energy: -47.470
flat angles P-C4'-P energy: -36.938
tors. eta vs tors. theta energy: 8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1127.658560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.658560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.658560 (E_RNA)
where:
Base-Base interactions energy: -776.648
where: short stacking energy: -298.734
Base-Backbone interact. energy: -2.662
local terms energy: -348.349080
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -71.818
flat angles C4'-P-C4' energy: -72.877
flat angles P-C4'-P energy: -45.866
tors. eta vs tors. theta energy: -98.865
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: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1065.483423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.483423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.483423 (E_RNA)
where:
Base-Base interactions energy: -701.517
where: short stacking energy: -316.496
Base-Backbone interact. energy: -0.876
local terms energy: -363.090584
where:
bonds (distance) C4'-P energy: -69.020
bonds (distance) P-C4' energy: -60.072
flat angles C4'-P-C4' energy: -74.423
flat angles P-C4'-P energy: -56.580
tors. eta vs tors. theta energy: -102.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1001.454673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.454673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.454673 (E_RNA)
where:
Base-Base interactions energy: -671.142
where: short stacking energy: -263.937
Base-Backbone interact. energy: -1.447
local terms energy: -328.865501
where:
bonds (distance) C4'-P energy: -65.647
bonds (distance) P-C4' energy: -67.399
flat angles C4'-P-C4' energy: -64.793
flat angles P-C4'-P energy: -44.764
tors. eta vs tors. theta energy: -86.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -947.851375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.851375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.851375 (E_RNA)
where:
Base-Base interactions energy: -618.933
where: short stacking energy: -268.200
Base-Backbone interact. energy: -0.468
local terms energy: -328.450311
where:
bonds (distance) C4'-P energy: -56.183
bonds (distance) P-C4' energy: -69.428
flat angles C4'-P-C4' energy: -67.345
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -89.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -742.237429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.237429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.237429 (E_RNA)
where:
Base-Base interactions energy: -446.987
where: short stacking energy: -201.918
Base-Backbone interact. energy: -1.908
local terms energy: -293.342252
where:
bonds (distance) C4'-P energy: -65.212
bonds (distance) P-C4' energy: -71.138
flat angles C4'-P-C4' energy: -57.563
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -59.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -602.955749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.955749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.955749 (E_RNA)
where:
Base-Base interactions energy: -358.612
where: short stacking energy: -146.597
Base-Backbone interact. energy: -0.074
local terms energy: -244.269610
where:
bonds (distance) C4'-P energy: -61.526
bonds (distance) P-C4' energy: -49.865
flat angles C4'-P-C4' energy: -63.239
flat angles P-C4'-P energy: -39.592
tors. eta vs tors. theta energy: -30.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -399.680860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.680860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.680860 (E_RNA)
where:
Base-Base interactions energy: -173.926
where: short stacking energy: -90.791
Base-Backbone interact. energy: 0.072
local terms energy: -225.826824
where:
bonds (distance) C4'-P energy: -52.215
bonds (distance) P-C4' energy: -60.843
flat angles C4'-P-C4' energy: -58.284
flat angles P-C4'-P energy: -44.961
tors. eta vs tors. theta energy: -9.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -315.251016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.251016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.251016 (E_RNA)
where:
Base-Base interactions energy: -108.034
where: short stacking energy: -78.540
Base-Backbone interact. energy: 3.455
local terms energy: -210.672164
where:
bonds (distance) C4'-P energy: -57.477
bonds (distance) P-C4' energy: -63.315
flat angles C4'-P-C4' energy: -59.034
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: 4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -284.681525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.681525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.681525 (E_RNA)
where:
Base-Base interactions energy: -97.167
where: short stacking energy: -59.838
Base-Backbone interact. energy: -1.015
local terms energy: -186.499912
where:
bonds (distance) C4'-P energy: -54.259
bonds (distance) P-C4' energy: -66.327
flat angles C4'-P-C4' energy: -56.128
flat angles P-C4'-P energy: -27.957
tors. eta vs tors. theta energy: 18.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -246.016764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.016764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.016764 (E_RNA)
where:
Base-Base interactions energy: -74.340
where: short stacking energy: -62.608
Base-Backbone interact. energy: 1.232
local terms energy: -172.908854
where:
bonds (distance) C4'-P energy: -53.842
bonds (distance) P-C4' energy: -65.151
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -35.710
tors. eta vs tors. theta energy: 10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1135.622915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.622915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.622915 (E_RNA)
where:
Base-Base interactions energy: -790.766
where: short stacking energy: -309.954
Base-Backbone interact. energy: 0.475
local terms energy: -345.331852
where:
bonds (distance) C4'-P energy: -60.981
bonds (distance) P-C4' energy: -74.490
flat angles C4'-P-C4' energy: -72.080
flat angles P-C4'-P energy: -38.218
tors. eta vs tors. theta energy: -99.561
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: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1076.657486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.657486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.657486 (E_RNA)
where:
Base-Base interactions energy: -711.178
where: short stacking energy: -311.954
Base-Backbone interact. energy: -0.425
local terms energy: -365.053960
where:
bonds (distance) C4'-P energy: -68.676
bonds (distance) P-C4' energy: -69.995
flat angles C4'-P-C4' energy: -71.083
flat angles P-C4'-P energy: -49.367
tors. eta vs tors. theta energy: -105.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -954.366966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.366966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.366966 (E_RNA)
where:
Base-Base interactions energy: -613.650
where: short stacking energy: -264.599
Base-Backbone interact. energy: -0.746
local terms energy: -339.970630
where:
bonds (distance) C4'-P energy: -69.477
bonds (distance) P-C4' energy: -69.713
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -45.994
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: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -952.249817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.249817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.249817 (E_RNA)
where:
Base-Base interactions energy: -630.942
where: short stacking energy: -247.892
Base-Backbone interact. energy: 1.227
local terms energy: -322.534926
where:
bonds (distance) C4'-P energy: -58.523
bonds (distance) P-C4' energy: -58.420
flat angles C4'-P-C4' energy: -67.674
flat angles P-C4'-P energy: -49.294
tors. eta vs tors. theta energy: -88.624
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: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -788.809052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.809052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.809052 (E_RNA)
where:
Base-Base interactions energy: -506.385
where: short stacking energy: -229.943
Base-Backbone interact. energy: 0.044
local terms energy: -282.467726
where:
bonds (distance) C4'-P energy: -49.251
bonds (distance) P-C4' energy: -55.989
flat angles C4'-P-C4' energy: -63.077
flat angles P-C4'-P energy: -46.491
tors. eta vs tors. theta energy: -67.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -649.322201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.322201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.322201 (E_RNA)
where:
Base-Base interactions energy: -368.856
where: short stacking energy: -174.291
Base-Backbone interact. energy: -1.216
local terms energy: -279.250810
where:
bonds (distance) C4'-P energy: -63.085
bonds (distance) P-C4' energy: -71.553
flat angles C4'-P-C4' energy: -61.617
flat angles P-C4'-P energy: -43.356
tors. eta vs tors. theta energy: -39.640
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: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -385.234059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.234059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.234059 (E_RNA)
where:
Base-Base interactions energy: -153.005
where: short stacking energy: -95.249
Base-Backbone interact. energy: -2.975
local terms energy: -229.253359
where:
bonds (distance) C4'-P energy: -55.483
bonds (distance) P-C4' energy: -69.776
flat angles C4'-P-C4' energy: -69.611
flat angles P-C4'-P energy: -29.482
tors. eta vs tors. theta energy: -4.901
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: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -308.484082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.484082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.484082 (E_RNA)
where:
Base-Base interactions energy: -101.569
where: short stacking energy: -85.848
Base-Backbone interact. energy: 2.879
local terms energy: -209.793660
where:
bonds (distance) C4'-P energy: -58.801
bonds (distance) P-C4' energy: -60.654
flat angles C4'-P-C4' energy: -52.817
flat angles P-C4'-P energy: -28.115
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -293.896366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.896366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.896366 (E_RNA)
where:
Base-Base interactions energy: -87.324
where: short stacking energy: -70.704
Base-Backbone interact. energy: 0.041
local terms energy: -206.612970
where:
bonds (distance) C4'-P energy: -64.734
bonds (distance) P-C4' energy: -60.589
flat angles C4'-P-C4' energy: -44.581
flat angles P-C4'-P energy: -34.181
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -277.749869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.749869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.749869 (E_RNA)
where:
Base-Base interactions energy: -109.721
where: short stacking energy: -79.187
Base-Backbone interact. energy: 0.270
local terms energy: -168.299289
where:
bonds (distance) C4'-P energy: -65.179
bonds (distance) P-C4' energy: -44.717
flat angles C4'-P-C4' energy: -28.646
flat angles P-C4'-P energy: -30.960
tors. eta vs tors. theta energy: 1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1120.790854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.790854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.790854 (E_RNA)
where:
Base-Base interactions energy: -767.759
where: short stacking energy: -298.471
Base-Backbone interact. energy: 2.698
local terms energy: -355.728956
where:
bonds (distance) C4'-P energy: -69.240
bonds (distance) P-C4' energy: -77.829
flat angles C4'-P-C4' energy: -67.442
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: -94.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1072.260938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.260938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.260938 (E_RNA)
where:
Base-Base interactions energy: -726.552
where: short stacking energy: -318.857
Base-Backbone interact. energy: -0.811
local terms energy: -344.897923
where:
bonds (distance) C4'-P energy: -63.932
bonds (distance) P-C4' energy: -60.988
flat angles C4'-P-C4' energy: -74.024
flat angles P-C4'-P energy: -48.423
tors. eta vs tors. theta energy: -97.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -968.099489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.099489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.099489 (E_RNA)
where:
Base-Base interactions energy: -624.994
where: short stacking energy: -256.888
Base-Backbone interact. energy: -1.561
local terms energy: -341.545094
where:
bonds (distance) C4'-P energy: -63.232
bonds (distance) P-C4' energy: -66.203
flat angles C4'-P-C4' energy: -75.323
flat angles P-C4'-P energy: -48.885
tors. eta vs tors. theta energy: -87.902
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: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -958.837369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.837369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.837369 (E_RNA)
where:
Base-Base interactions energy: -664.065
where: short stacking energy: -262.554
Base-Backbone interact. energy: 0.473
local terms energy: -295.245278
where:
bonds (distance) C4'-P energy: -66.309
bonds (distance) P-C4' energy: -50.247
flat angles C4'-P-C4' energy: -64.482
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: -71.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -800.466105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.466105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.466105 (E_RNA)
where:
Base-Base interactions energy: -499.532
where: short stacking energy: -226.463
Base-Backbone interact. energy: -1.780
local terms energy: -299.153784
where:
bonds (distance) C4'-P energy: -62.394
bonds (distance) P-C4' energy: -68.219
flat angles C4'-P-C4' energy: -62.940
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -76.090
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: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -651.442692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.442692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.442692 (E_RNA)
where:
Base-Base interactions energy: -407.088
where: short stacking energy: -184.509
Base-Backbone interact. energy: -0.312
local terms energy: -244.043275
where:
bonds (distance) C4'-P energy: -53.185
bonds (distance) P-C4' energy: -56.149
flat angles C4'-P-C4' energy: -65.840
flat angles P-C4'-P energy: -25.980
tors. eta vs tors. theta energy: -42.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -333.904651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.904651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.904651 (E_RNA)
where:
Base-Base interactions energy: -139.393
where: short stacking energy: -91.396
Base-Backbone interact. energy: -0.436
local terms energy: -194.076429
where:
bonds (distance) C4'-P energy: -48.322
bonds (distance) P-C4' energy: -61.887
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -30.773
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -295.094392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.094392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.094392 (E_RNA)
where:
Base-Base interactions energy: -83.756
where: short stacking energy: -77.091
Base-Backbone interact. energy: -1.537
local terms energy: -209.801424
where:
bonds (distance) C4'-P energy: -51.353
bonds (distance) P-C4' energy: -67.650
flat angles C4'-P-C4' energy: -54.645
flat angles P-C4'-P energy: -35.780
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -261.273388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.273388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.273388 (E_RNA)
where:
Base-Base interactions energy: -104.435
where: short stacking energy: -87.405
Base-Backbone interact. energy: 3.428
local terms energy: -160.266037
where:
bonds (distance) C4'-P energy: -49.372
bonds (distance) P-C4' energy: -55.010
flat angles C4'-P-C4' energy: -42.423
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: 5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -258.886739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.886739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.886739 (E_RNA)
where:
Base-Base interactions energy: -72.051
where: short stacking energy: -62.022
Base-Backbone interact. energy: 0.555
local terms energy: -187.391026
where:
bonds (distance) C4'-P energy: -52.432
bonds (distance) P-C4' energy: -60.316
flat angles C4'-P-C4' energy: -53.157
flat angles P-C4'-P energy: -28.855
tors. eta vs tors. theta energy: 7.368
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: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1133.612717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.612717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.612717 (E_RNA)
where:
Base-Base interactions energy: -773.301
where: short stacking energy: -310.474
Base-Backbone interact. energy: -2.284
local terms energy: -358.027360
where:
bonds (distance) C4'-P energy: -76.503
bonds (distance) P-C4' energy: -58.978
flat angles C4'-P-C4' energy: -75.761
flat angles P-C4'-P energy: -43.888
tors. eta vs tors. theta energy: -102.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1083.165546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.165546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.165546 (E_RNA)
where:
Base-Base interactions energy: -721.245
where: short stacking energy: -311.303
Base-Backbone interact. energy: 2.744
local terms energy: -364.664818
where:
bonds (distance) C4'-P energy: -72.316
bonds (distance) P-C4' energy: -65.987
flat angles C4'-P-C4' energy: -66.244
flat angles P-C4'-P energy: -55.240
tors. eta vs tors. theta energy: -104.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -982.253026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.253026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.253026 (E_RNA)
where:
Base-Base interactions energy: -666.620
where: short stacking energy: -290.358
Base-Backbone interact. energy: -0.147
local terms energy: -315.486034
where:
bonds (distance) C4'-P energy: -54.631
bonds (distance) P-C4' energy: -57.271
flat angles C4'-P-C4' energy: -70.817
flat angles P-C4'-P energy: -50.612
tors. eta vs tors. theta energy: -82.155
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: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -961.805944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.805944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.805944 (E_RNA)
where:
Base-Base interactions energy: -633.607
where: short stacking energy: -279.516
Base-Backbone interact. energy: -0.071
local terms energy: -328.127117
where:
bonds (distance) C4'-P energy: -66.773
bonds (distance) P-C4' energy: -67.750
flat angles C4'-P-C4' energy: -69.998
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -85.514
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: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -788.184679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.184679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.184679 (E_RNA)
where:
Base-Base interactions energy: -503.531
where: short stacking energy: -230.169
Base-Backbone interact. energy: -0.164
local terms energy: -284.489736
where:
bonds (distance) C4'-P energy: -60.841
bonds (distance) P-C4' energy: -65.457
flat angles C4'-P-C4' energy: -68.294
flat angles P-C4'-P energy: -34.379
tors. eta vs tors. theta energy: -55.519
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: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -683.091317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.091317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.091317 (E_RNA)
where:
Base-Base interactions energy: -427.406
where: short stacking energy: -197.596
Base-Backbone interact. energy: 1.390
local terms energy: -257.939194
where:
bonds (distance) C4'-P energy: -59.745
bonds (distance) P-C4' energy: -63.562
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -48.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.864 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -356.175337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.175337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.175337 (E_RNA)
where:
Base-Base interactions energy: -148.632
where: short stacking energy: -106.547
Base-Backbone interact. energy: -1.180
local terms energy: -206.363115
where:
bonds (distance) C4'-P energy: -53.237
bonds (distance) P-C4' energy: -67.071
flat angles C4'-P-C4' energy: -36.663
flat angles P-C4'-P energy: -41.210
tors. eta vs tors. theta energy: -8.182
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: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -312.495464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.495464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.495464 (E_RNA)
where:
Base-Base interactions energy: -133.033
where: short stacking energy: -94.970
Base-Backbone interact. energy: -0.155
local terms energy: -179.307946
where:
bonds (distance) C4'-P energy: -53.905
bonds (distance) P-C4' energy: -56.464
flat angles C4'-P-C4' energy: -49.904
flat angles P-C4'-P energy: -35.005
tors. eta vs tors. theta energy: 15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -311.251002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.251002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.251002 (E_RNA)
where:
Base-Base interactions energy: -130.332
where: short stacking energy: -96.176
Base-Backbone interact. energy: -2.726
local terms energy: -178.192796
where:
bonds (distance) C4'-P energy: -59.643
bonds (distance) P-C4' energy: -61.846
flat angles C4'-P-C4' energy: -41.080
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: 12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -244.693421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.693421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.693421 (E_RNA)
where:
Base-Base interactions energy: -74.520
where: short stacking energy: -39.353
Base-Backbone interact. energy: 0.367
local terms energy: -170.540972
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -66.827
flat angles C4'-P-C4' energy: -54.587
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: 26.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1105.542641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.542641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.542641 (E_RNA)
where:
Base-Base interactions energy: -749.849
where: short stacking energy: -290.072
Base-Backbone interact. energy: -2.193
local terms energy: -353.500313
where:
bonds (distance) C4'-P energy: -73.026
bonds (distance) P-C4' energy: -77.100
flat angles C4'-P-C4' energy: -70.061
flat angles P-C4'-P energy: -31.989
tors. eta vs tors. theta energy: -101.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1015.205840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.205840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.205840 (E_RNA)
where:
Base-Base interactions energy: -686.303
where: short stacking energy: -280.358
Base-Backbone interact. energy: -1.400
local terms energy: -327.502984
where:
bonds (distance) C4'-P energy: -57.215
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -74.048
flat angles P-C4'-P energy: -48.116
tors. eta vs tors. theta energy: -87.271
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: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1032.229045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.229045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.229045 (E_RNA)
where:
Base-Base interactions energy: -687.040
where: short stacking energy: -312.319
Base-Backbone interact. energy: 0.383
local terms energy: -345.572327
where:
bonds (distance) C4'-P energy: -63.248
bonds (distance) P-C4' energy: -54.886
flat angles C4'-P-C4' energy: -67.361
flat angles P-C4'-P energy: -50.939
tors. eta vs tors. theta energy: -109.139
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: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -953.999326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.999326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.999326 (E_RNA)
where:
Base-Base interactions energy: -628.435
where: short stacking energy: -282.971
Base-Backbone interact. energy: -0.423
local terms energy: -325.140635
where:
bonds (distance) C4'-P energy: -66.906
bonds (distance) P-C4' energy: -65.539
flat angles C4'-P-C4' energy: -69.473
flat angles P-C4'-P energy: -38.027
tors. eta vs tors. theta energy: -85.196
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: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -785.863436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.863436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.863436 (E_RNA)
where:
Base-Base interactions energy: -483.402
where: short stacking energy: -224.626
Base-Backbone interact. energy: -1.827
local terms energy: -300.634388
where:
bonds (distance) C4'-P energy: -60.178
bonds (distance) P-C4' energy: -54.713
flat angles C4'-P-C4' energy: -66.952
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -74.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -663.967373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.967373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.967373 (E_RNA)
where:
Base-Base interactions energy: -416.137
where: short stacking energy: -170.853
Base-Backbone interact. energy: -1.246
local terms energy: -246.583803
where:
bonds (distance) C4'-P energy: -55.223
bonds (distance) P-C4' energy: -72.468
flat angles C4'-P-C4' energy: -45.944
flat angles P-C4'-P energy: -34.479
tors. eta vs tors. theta energy: -38.470
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: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -332.923615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.923615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.923615 (E_RNA)
where:
Base-Base interactions energy: -112.884
where: short stacking energy: -77.002
Base-Backbone interact. energy: 3.780
local terms energy: -223.819187
where:
bonds (distance) C4'-P energy: -57.588
bonds (distance) P-C4' energy: -62.984
flat angles C4'-P-C4' energy: -60.398
flat angles P-C4'-P energy: -32.568
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -289.056342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.056342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.056342 (E_RNA)
where:
Base-Base interactions energy: -103.073
where: short stacking energy: -70.846
Base-Backbone interact. energy: -1.285
local terms energy: -184.698578
where:
bonds (distance) C4'-P energy: -60.076
bonds (distance) P-C4' energy: -60.889
flat angles C4'-P-C4' energy: -40.557
flat angles P-C4'-P energy: -27.665
tors. eta vs tors. theta energy: 4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -293.060748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.060748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.060748 (E_RNA)
where:
Base-Base interactions energy: -117.212
where: short stacking energy: -80.554
Base-Backbone interact. energy: 0.746
local terms energy: -176.595437
where:
bonds (distance) C4'-P energy: -55.913
bonds (distance) P-C4' energy: -64.592
flat angles C4'-P-C4' energy: -38.756
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: 6.973
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: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -260.911996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.911996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.911996 (E_RNA)
where:
Base-Base interactions energy: -82.755
where: short stacking energy: -71.489
Base-Backbone interact. energy: 3.570
local terms energy: -181.726656
where:
bonds (distance) C4'-P energy: -53.165
bonds (distance) P-C4' energy: -61.546
flat angles C4'-P-C4' energy: -57.536
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: 13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1131.626485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.626485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.626485 (E_RNA)
where:
Base-Base interactions energy: -766.965
where: short stacking energy: -328.767
Base-Backbone interact. energy: -2.003
local terms energy: -362.658270
where:
bonds (distance) C4'-P energy: -67.872
bonds (distance) P-C4' energy: -66.035
flat angles C4'-P-C4' energy: -77.264
flat angles P-C4'-P energy: -48.712
tors. eta vs tors. theta energy: -102.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1028.364601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.364601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.364601 (E_RNA)
where:
Base-Base interactions energy: -711.132
where: short stacking energy: -291.359
Base-Backbone interact. energy: -0.304
local terms energy: -316.928508
where:
bonds (distance) C4'-P energy: -65.075
bonds (distance) P-C4' energy: -49.357
flat angles C4'-P-C4' energy: -66.641
flat angles P-C4'-P energy: -47.664
tors. eta vs tors. theta energy: -88.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1056.826270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.826270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.826270 (E_RNA)
where:
Base-Base interactions energy: -696.589
where: short stacking energy: -323.035
Base-Backbone interact. energy: -0.255
local terms energy: -359.982399
where:
bonds (distance) C4'-P energy: -57.537
bonds (distance) P-C4' energy: -64.254
flat angles C4'-P-C4' energy: -76.041
flat angles P-C4'-P energy: -51.993
tors. eta vs tors. theta energy: -110.158
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: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -945.204850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.204850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.204850 (E_RNA)
where:
Base-Base interactions energy: -633.696
where: short stacking energy: -279.428
Base-Backbone interact. energy: -0.239
local terms energy: -311.269700
where:
bonds (distance) C4'-P energy: -60.993
bonds (distance) P-C4' energy: -52.088
flat angles C4'-P-C4' energy: -69.831
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: -89.653
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: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -797.902960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.902960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.902960 (E_RNA)
where:
Base-Base interactions energy: -523.326
where: short stacking energy: -204.847
Base-Backbone interact. energy: 0.358
local terms energy: -274.935226
where:
bonds (distance) C4'-P energy: -62.761
bonds (distance) P-C4' energy: -54.257
flat angles C4'-P-C4' energy: -63.816
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -50.269
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: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -691.480437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.480437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.480437 (E_RNA)
where:
Base-Base interactions energy: -430.239
where: short stacking energy: -200.372
Base-Backbone interact. energy: -0.754
local terms energy: -260.487487
where:
bonds (distance) C4'-P energy: -52.736
bonds (distance) P-C4' energy: -53.761
flat angles C4'-P-C4' energy: -56.390
flat angles P-C4'-P energy: -41.752
tors. eta vs tors. theta energy: -55.849
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: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -317.717009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.717009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.717009 (E_RNA)
where:
Base-Base interactions energy: -122.696
where: short stacking energy: -79.651
Base-Backbone interact. energy: -1.216
local terms energy: -193.805424
where:
bonds (distance) C4'-P energy: -64.354
bonds (distance) P-C4' energy: -66.943
flat angles C4'-P-C4' energy: -39.915
flat angles P-C4'-P energy: -30.785
tors. eta vs tors. theta energy: 8.191
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: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -309.243725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.243725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.243725 (E_RNA)
where:
Base-Base interactions energy: -107.413
where: short stacking energy: -102.086
Base-Backbone interact. energy: 2.520
local terms energy: -204.350632
where:
bonds (distance) C4'-P energy: -62.136
bonds (distance) P-C4' energy: -64.597
flat angles C4'-P-C4' energy: -41.064
flat angles P-C4'-P energy: -30.977
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: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -284.221704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.221704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.221704 (E_RNA)
where:
Base-Base interactions energy: -93.953
where: short stacking energy: -72.409
Base-Backbone interact. energy: -1.195
local terms energy: -189.073257
where:
bonds (distance) C4'-P energy: -60.513
bonds (distance) P-C4' energy: -56.142
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: 11.423
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: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -260.694892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.694892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.694892 (E_RNA)
where:
Base-Base interactions energy: -87.533
where: short stacking energy: -60.490
Base-Backbone interact. energy: 3.636
local terms energy: -176.797948
where:
bonds (distance) C4'-P energy: -51.347
bonds (distance) P-C4' energy: -60.981
flat angles C4'-P-C4' energy: -42.805
flat angles P-C4'-P energy: -34.769
tors. eta vs tors. theta energy: 13.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1107.332962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.332962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.332962 (E_RNA)
where:
Base-Base interactions energy: -753.927
where: short stacking energy: -313.881
Base-Backbone interact. energy: -0.192
local terms energy: -353.214762
where:
bonds (distance) C4'-P energy: -67.666
bonds (distance) P-C4' energy: -61.338
flat angles C4'-P-C4' energy: -70.962
flat angles P-C4'-P energy: -51.019
tors. eta vs tors. theta energy: -102.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1072.903406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.903406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.903406 (E_RNA)
where:
Base-Base interactions energy: -710.815
where: short stacking energy: -325.043
Base-Backbone interact. energy: 1.379
local terms energy: -363.467952
where:
bonds (distance) C4'-P energy: -55.713
bonds (distance) P-C4' energy: -71.882
flat angles C4'-P-C4' energy: -78.793
flat angles P-C4'-P energy: -49.183
tors. eta vs tors. theta energy: -107.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1029.117160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.117160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.117160 (E_RNA)
where:
Base-Base interactions energy: -688.300
where: short stacking energy: -283.067
Base-Backbone interact. energy: -1.191
local terms energy: -339.625971
where:
bonds (distance) C4'-P energy: -64.869
bonds (distance) P-C4' energy: -66.586
flat angles C4'-P-C4' energy: -72.187
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -88.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -948.465349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.465349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.465349 (E_RNA)
where:
Base-Base interactions energy: -625.001
where: short stacking energy: -264.944
Base-Backbone interact. energy: 0.656
local terms energy: -324.120870
where:
bonds (distance) C4'-P energy: -62.341
bonds (distance) P-C4' energy: -65.381
flat angles C4'-P-C4' energy: -71.066
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -77.953
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: 335
Temperature: 1.100000
Total energy: -798.632847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.632847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.632847 (E_RNA)
where:
Base-Base interactions energy: -506.430
where: short stacking energy: -224.337
Base-Backbone interact. energy: 1.322
local terms energy: -293.525582
where:
bonds (distance) C4'-P energy: -56.615
bonds (distance) P-C4' energy: -58.590
flat angles C4'-P-C4' energy: -66.689
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: -60.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -681.251015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.251015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.251015 (E_RNA)
where:
Base-Base interactions energy: -401.382
where: short stacking energy: -184.469
Base-Backbone interact. energy: -0.941
local terms energy: -278.927325
where:
bonds (distance) C4'-P energy: -66.292
bonds (distance) P-C4' energy: -65.115
flat angles C4'-P-C4' energy: -55.458
flat angles P-C4'-P energy: -45.114
tors. eta vs tors. theta energy: -46.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -384.088419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.088419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.088419 (E_RNA)
where:
Base-Base interactions energy: -185.034
where: short stacking energy: -94.603
Base-Backbone interact. energy: -0.898
local terms energy: -198.156454
where:
bonds (distance) C4'-P energy: -60.717
bonds (distance) P-C4' energy: -63.559
flat angles C4'-P-C4' energy: -49.979
flat angles P-C4'-P energy: -30.025
tors. eta vs tors. theta energy: 6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -324.070550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.070550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.070550 (E_RNA)
where:
Base-Base interactions energy: -136.486
where: short stacking energy: -79.881
Base-Backbone interact. energy: 0.727
local terms energy: -188.311588
where:
bonds (distance) C4'-P energy: -57.818
bonds (distance) P-C4' energy: -62.953
flat angles C4'-P-C4' energy: -43.035
flat angles P-C4'-P energy: -34.842
tors. eta vs tors. theta energy: 10.337
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: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -266.475770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.475770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.475770 (E_RNA)
where:
Base-Base interactions energy: -65.812
where: short stacking energy: -40.453
Base-Backbone interact. energy: -1.738
local terms energy: -198.925455
where:
bonds (distance) C4'-P energy: -63.053
bonds (distance) P-C4' energy: -64.796
flat angles C4'-P-C4' energy: -57.136
flat angles P-C4'-P energy: -32.655
tors. eta vs tors. theta energy: 18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -271.645410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.645410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.645410 (E_RNA)
where:
Base-Base interactions energy: -98.214
where: short stacking energy: -79.612
Base-Backbone interact. energy: 3.492
local terms energy: -176.923442
where:
bonds (distance) C4'-P energy: -46.195
bonds (distance) P-C4' energy: -64.949
flat angles C4'-P-C4' energy: -37.687
flat angles P-C4'-P energy: -31.243
tors. eta vs tors. theta energy: 3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1141.892620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.892620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.892620 (E_RNA)
where:
Base-Base interactions energy: -785.812
where: short stacking energy: -301.475
Base-Backbone interact. energy: -1.420
local terms energy: -354.660918
where:
bonds (distance) C4'-P energy: -71.768
bonds (distance) P-C4' energy: -61.442
flat angles C4'-P-C4' energy: -75.695
flat angles P-C4'-P energy: -42.326
tors. eta vs tors. theta energy: -103.430
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: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1072.133338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.133338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.133338 (E_RNA)
where:
Base-Base interactions energy: -719.000
where: short stacking energy: -323.914
Base-Backbone interact. energy: -0.464
local terms energy: -352.669063
where:
bonds (distance) C4'-P energy: -64.031
bonds (distance) P-C4' energy: -61.655
flat angles C4'-P-C4' energy: -65.817
flat angles P-C4'-P energy: -51.638
tors. eta vs tors. theta energy: -109.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1021.607672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.607672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.607672 (E_RNA)
where:
Base-Base interactions energy: -687.951
where: short stacking energy: -266.129
Base-Backbone interact. energy: -0.866
local terms energy: -332.790806
where:
bonds (distance) C4'-P energy: -55.173
bonds (distance) P-C4' energy: -73.929
flat angles C4'-P-C4' energy: -71.217
flat angles P-C4'-P energy: -49.399
tors. eta vs tors. theta energy: -83.073
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: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -935.174851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.174851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.174851 (E_RNA)
where:
Base-Base interactions energy: -609.931
where: short stacking energy: -254.989
Base-Backbone interact. energy: -1.297
local terms energy: -323.947202
where:
bonds (distance) C4'-P energy: -67.708
bonds (distance) P-C4' energy: -56.206
flat angles C4'-P-C4' energy: -74.879
flat angles P-C4'-P energy: -40.456
tors. eta vs tors. theta energy: -84.698
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: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -847.515757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.515757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.515757 (E_RNA)
where:
Base-Base interactions energy: -542.438
where: short stacking energy: -234.177
Base-Backbone interact. energy: -0.582
local terms energy: -304.495722
where:
bonds (distance) C4'-P energy: -56.824
bonds (distance) P-C4' energy: -57.698
flat angles C4'-P-C4' energy: -66.516
flat angles P-C4'-P energy: -46.435
tors. eta vs tors. theta energy: -77.023
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: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -635.164679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.164679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.164679 (E_RNA)
where:
Base-Base interactions energy: -380.180
where: short stacking energy: -176.919
Base-Backbone interact. energy: 0.457
local terms energy: -255.442336
where:
bonds (distance) C4'-P energy: -58.822
bonds (distance) P-C4' energy: -56.787
flat angles C4'-P-C4' energy: -57.658
flat angles P-C4'-P energy: -42.157
tors. eta vs tors. theta energy: -40.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -371.543890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.543890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.543890 (E_RNA)
where:
Base-Base interactions energy: -168.842
where: short stacking energy: -104.378
Base-Backbone interact. energy: -2.585
local terms energy: -200.116969
where:
bonds (distance) C4'-P energy: -57.393
bonds (distance) P-C4' energy: -63.334
flat angles C4'-P-C4' energy: -49.762
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -339.154297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.154297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.154297 (E_RNA)
where:
Base-Base interactions energy: -140.615
where: short stacking energy: -80.691
Base-Backbone interact. energy: 1.719
local terms energy: -200.257891
where:
bonds (distance) C4'-P energy: -47.058
bonds (distance) P-C4' energy: -62.839
flat angles C4'-P-C4' energy: -55.485
flat angles P-C4'-P energy: -37.438
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: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -275.439185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.439185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.439185 (E_RNA)
where:
Base-Base interactions energy: -76.183
where: short stacking energy: -68.226
Base-Backbone interact. energy: 0.372
local terms energy: -199.628791
where:
bonds (distance) C4'-P energy: -66.674
bonds (distance) P-C4' energy: -59.419
flat angles C4'-P-C4' energy: -55.117
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: 14.225
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: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -257.956897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.956897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.956897 (E_RNA)
where:
Base-Base interactions energy: -80.521
where: short stacking energy: -69.022
Base-Backbone interact. energy: -0.632
local terms energy: -176.803842
where:
bonds (distance) C4'-P energy: -52.168
bonds (distance) P-C4' energy: -55.141
flat angles C4'-P-C4' energy: -44.371
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: 8.570
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: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1116.605130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.605130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.605130 (E_RNA)
where:
Base-Base interactions energy: -779.152
where: short stacking energy: -303.810
Base-Backbone interact. energy: -1.371
local terms energy: -336.082049
where:
bonds (distance) C4'-P energy: -63.860
bonds (distance) P-C4' energy: -64.120
flat angles C4'-P-C4' energy: -74.097
flat angles P-C4'-P energy: -41.553
tors. eta vs tors. theta energy: -92.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1045.175666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.175666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.175666 (E_RNA)
where:
Base-Base interactions energy: -710.633
where: short stacking energy: -306.903
Base-Backbone interact. energy: -0.520
local terms energy: -334.022458
where:
bonds (distance) C4'-P energy: -62.343
bonds (distance) P-C4' energy: -65.255
flat angles C4'-P-C4' energy: -64.056
flat angles P-C4'-P energy: -39.281
tors. eta vs tors. theta energy: -103.087
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: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -993.959488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.959488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.959488 (E_RNA)
where:
Base-Base interactions energy: -678.355
where: short stacking energy: -285.720
Base-Backbone interact. energy: -1.276
local terms energy: -314.328668
where:
bonds (distance) C4'-P energy: -69.397
bonds (distance) P-C4' energy: -54.244
flat angles C4'-P-C4' energy: -56.098
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -83.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -930.665669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.665669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.665669 (E_RNA)
where:
Base-Base interactions energy: -598.200
where: short stacking energy: -241.440
Base-Backbone interact. energy: 1.124
local terms energy: -333.590120
where:
bonds (distance) C4'-P energy: -61.598
bonds (distance) P-C4' energy: -72.882
flat angles C4'-P-C4' energy: -72.253
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -77.254
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: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -830.053476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.053476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.053476 (E_RNA)
where:
Base-Base interactions energy: -532.763
where: short stacking energy: -212.303
Base-Backbone interact. energy: -0.811
local terms energy: -296.478721
where:
bonds (distance) C4'-P energy: -62.453
bonds (distance) P-C4' energy: -67.922
flat angles C4'-P-C4' energy: -62.447
flat angles P-C4'-P energy: -46.556
tors. eta vs tors. theta energy: -57.100
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: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -688.879445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.879445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.879445 (E_RNA)
where:
Base-Base interactions energy: -427.816
where: short stacking energy: -172.935
Base-Backbone interact. energy: -1.234
local terms energy: -260.715623
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -59.269
flat angles C4'-P-C4' energy: -68.673
flat angles P-C4'-P energy: -35.809
tors. eta vs tors. theta energy: -41.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.885 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -407.279633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.279633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.279633 (E_RNA)
where:
Base-Base interactions energy: -194.337
where: short stacking energy: -102.880
Base-Backbone interact. energy: -1.266
local terms energy: -211.855110
where:
bonds (distance) C4'-P energy: -58.295
bonds (distance) P-C4' energy: -58.256
flat angles C4'-P-C4' energy: -52.547
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.179 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -350.196421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.196421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.196421 (E_RNA)
where:
Base-Base interactions energy: -148.550
where: short stacking energy: -103.701
Base-Backbone interact. energy: -1.434
local terms energy: -200.212273
where:
bonds (distance) C4'-P energy: -54.267
bonds (distance) P-C4' energy: -65.278
flat angles C4'-P-C4' energy: -61.757
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -267.257567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.257567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.257567 (E_RNA)
where:
Base-Base interactions energy: -93.771
where: short stacking energy: -64.965
Base-Backbone interact. energy: -1.936
local terms energy: -171.550661
where:
bonds (distance) C4'-P energy: -54.955
bonds (distance) P-C4' energy: -62.342
flat angles C4'-P-C4' energy: -46.237
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: 20.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -257.896899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.896899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.896899 (E_RNA)
where:
Base-Base interactions energy: -70.569
where: short stacking energy: -53.558
Base-Backbone interact. energy: -0.373
local terms energy: -186.954640
where:
bonds (distance) C4'-P energy: -62.322
bonds (distance) P-C4' energy: -54.670
flat angles C4'-P-C4' energy: -56.312
flat angles P-C4'-P energy: -25.468
tors. eta vs tors. theta energy: 11.817
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: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1122.308134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.308134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.308134 (E_RNA)
where:
Base-Base interactions energy: -772.568
where: short stacking energy: -291.865
Base-Backbone interact. energy: -1.148
local terms energy: -348.592592
where:
bonds (distance) C4'-P energy: -71.117
bonds (distance) P-C4' energy: -67.990
flat angles C4'-P-C4' energy: -70.125
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -97.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1060.501771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.501771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.501771 (E_RNA)
where:
Base-Base interactions energy: -703.955
where: short stacking energy: -307.638
Base-Backbone interact. energy: -1.300
local terms energy: -355.246712
where:
bonds (distance) C4'-P energy: -50.004
bonds (distance) P-C4' energy: -68.380
flat angles C4'-P-C4' energy: -78.057
flat angles P-C4'-P energy: -56.134
tors. eta vs tors. theta energy: -102.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1041.190487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.190487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.190487 (E_RNA)
where:
Base-Base interactions energy: -695.334
where: short stacking energy: -276.132
Base-Backbone interact. energy: -0.833
local terms energy: -345.024082
where:
bonds (distance) C4'-P energy: -66.583
bonds (distance) P-C4' energy: -64.278
flat angles C4'-P-C4' energy: -72.312
flat angles P-C4'-P energy: -49.723
tors. eta vs tors. theta energy: -92.129
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: 338
Temperature: 1.050000
Total energy: -948.757541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.757541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.757541 (E_RNA)
where:
Base-Base interactions energy: -625.787
where: short stacking energy: -276.560
Base-Backbone interact. energy: -1.832
local terms energy: -321.137997
where:
bonds (distance) C4'-P energy: -58.769
bonds (distance) P-C4' energy: -61.941
flat angles C4'-P-C4' energy: -73.894
flat angles P-C4'-P energy: -44.491
tors. eta vs tors. theta energy: -82.042
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: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -827.843943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.843943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.843943 (E_RNA)
where:
Base-Base interactions energy: -528.116
where: short stacking energy: -244.683
Base-Backbone interact. energy: 0.669
local terms energy: -300.396985
where:
bonds (distance) C4'-P energy: -62.890
bonds (distance) P-C4' energy: -54.018
flat angles C4'-P-C4' energy: -73.369
flat angles P-C4'-P energy: -38.025
tors. eta vs tors. theta energy: -72.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -680.912839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.912839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.912839 (E_RNA)
where:
Base-Base interactions energy: -424.397
where: short stacking energy: -192.281
Base-Backbone interact. energy: -0.624
local terms energy: -255.891941
where:
bonds (distance) C4'-P energy: -60.942
bonds (distance) P-C4' energy: -64.418
flat angles C4'-P-C4' energy: -62.114
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -38.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -405.219121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.219121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.219121 (E_RNA)
where:
Base-Base interactions energy: -180.919
where: short stacking energy: -105.973
Base-Backbone interact. energy: 2.600
local terms energy: -226.900125
where:
bonds (distance) C4'-P energy: -57.460
bonds (distance) P-C4' energy: -62.952
flat angles C4'-P-C4' energy: -54.669
flat angles P-C4'-P energy: -29.719
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: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -314.639755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.639755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.639755 (E_RNA)
where:
Base-Base interactions energy: -125.559
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.995
local terms energy: -188.086058
where:
bonds (distance) C4'-P energy: -57.656
bonds (distance) P-C4' energy: -62.114
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -25.331
tors. eta vs tors. theta energy: 13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -286.473909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.473909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.473909 (E_RNA)
where:
Base-Base interactions energy: -99.064
where: short stacking energy: -55.641
Base-Backbone interact. energy: 1.452
local terms energy: -188.862794
where:
bonds (distance) C4'-P energy: -60.120
bonds (distance) P-C4' energy: -50.739
flat angles C4'-P-C4' energy: -50.384
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: 6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -274.018764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.018764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.018764 (E_RNA)
where:
Base-Base interactions energy: -80.675
where: short stacking energy: -69.242
Base-Backbone interact. energy: -1.502
local terms energy: -191.841288
where:
bonds (distance) C4'-P energy: -56.447
bonds (distance) P-C4' energy: -64.885
flat angles C4'-P-C4' energy: -51.812
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: 2.706
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: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1124.646367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.646367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.646367 (E_RNA)
where:
Base-Base interactions energy: -770.700
where: short stacking energy: -298.773
Base-Backbone interact. energy: -0.802
local terms energy: -353.144206
where:
bonds (distance) C4'-P energy: -65.987
bonds (distance) P-C4' energy: -61.545
flat angles C4'-P-C4' energy: -73.453
flat angles P-C4'-P energy: -48.163
tors. eta vs tors. theta energy: -103.995
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: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1051.204009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.204009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.204009 (E_RNA)
where:
Base-Base interactions energy: -696.896
where: short stacking energy: -286.242
Base-Backbone interact. energy: -0.412
local terms energy: -355.985339
where:
bonds (distance) C4'-P energy: -78.821
bonds (distance) P-C4' energy: -61.804
flat angles C4'-P-C4' energy: -72.064
flat angles P-C4'-P energy: -53.661
tors. eta vs tors. theta energy: -89.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.089 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1002.953589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.953589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.953589 (E_RNA)
where:
Base-Base interactions energy: -667.148
where: short stacking energy: -293.990
Base-Backbone interact. energy: -0.470
local terms energy: -335.335201
where:
bonds (distance) C4'-P energy: -48.546
bonds (distance) P-C4' energy: -64.024
flat angles C4'-P-C4' energy: -72.234
flat angles P-C4'-P energy: -50.603
tors. eta vs tors. theta energy: -99.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -928.488389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.488389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.488389 (E_RNA)
where:
Base-Base interactions energy: -605.072
where: short stacking energy: -271.824
Base-Backbone interact. energy: 1.438
local terms energy: -324.854315
where:
bonds (distance) C4'-P energy: -57.051
bonds (distance) P-C4' energy: -68.049
flat angles C4'-P-C4' energy: -71.493
flat angles P-C4'-P energy: -48.122
tors. eta vs tors. theta energy: -80.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -784.982403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.982403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.982403 (E_RNA)
where:
Base-Base interactions energy: -492.502
where: short stacking energy: -221.731
Base-Backbone interact. energy: -0.381
local terms energy: -292.099009
where:
bonds (distance) C4'-P energy: -67.101
bonds (distance) P-C4' energy: -61.011
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -26.281
tors. eta vs tors. theta energy: -67.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -687.903445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.903445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.903445 (E_RNA)
where:
Base-Base interactions energy: -438.525
where: short stacking energy: -197.755
Base-Backbone interact. energy: -0.590
local terms energy: -248.789270
where:
bonds (distance) C4'-P energy: -48.275
bonds (distance) P-C4' energy: -59.457
flat angles C4'-P-C4' energy: -66.198
flat angles P-C4'-P energy: -32.039
tors. eta vs tors. theta energy: -42.821
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: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -444.335736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.335736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.335736 (E_RNA)
where:
Base-Base interactions energy: -226.572
where: short stacking energy: -137.187
Base-Backbone interact. energy: -1.302
local terms energy: -216.461962
where:
bonds (distance) C4'-P energy: -44.691
bonds (distance) P-C4' energy: -58.838
flat angles C4'-P-C4' energy: -52.656
flat angles P-C4'-P energy: -34.552
tors. eta vs tors. theta energy: -25.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -341.485084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.485084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.485084 (E_RNA)
where:
Base-Base interactions energy: -155.198
where: short stacking energy: -72.237
Base-Backbone interact. energy: -2.623
local terms energy: -183.664343
where:
bonds (distance) C4'-P energy: -64.255
bonds (distance) P-C4' energy: -52.865
flat angles C4'-P-C4' energy: -51.821
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: 12.391
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: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -287.361494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.361494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.361494 (E_RNA)
where:
Base-Base interactions energy: -97.736
where: short stacking energy: -61.858
Base-Backbone interact. energy: 4.071
local terms energy: -193.696066
where:
bonds (distance) C4'-P energy: -59.733
bonds (distance) P-C4' energy: -62.233
flat angles C4'-P-C4' energy: -59.996
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: 17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -255.433368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.433368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.433368 (E_RNA)
where:
Base-Base interactions energy: -89.881
where: short stacking energy: -64.478
Base-Backbone interact. energy: -1.060
local terms energy: -164.492471
where:
bonds (distance) C4'-P energy: -63.403
bonds (distance) P-C4' energy: -54.810
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -29.126
tors. eta vs tors. theta energy: 17.296
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: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1107.900379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.900379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.900379 (E_RNA)
where:
Base-Base interactions energy: -757.169
where: short stacking energy: -294.429
Base-Backbone interact. energy: -0.800
local terms energy: -349.931358
where:
bonds (distance) C4'-P energy: -61.077
bonds (distance) P-C4' energy: -69.262
flat angles C4'-P-C4' energy: -67.333
flat angles P-C4'-P energy: -52.376
tors. eta vs tors. theta energy: -99.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1054.594444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.594444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.594444 (E_RNA)
where:
Base-Base interactions energy: -700.791
where: short stacking energy: -285.128
Base-Backbone interact. energy: 3.131
local terms energy: -357.636783
where:
bonds (distance) C4'-P energy: -64.345
bonds (distance) P-C4' energy: -75.139
flat angles C4'-P-C4' energy: -76.501
flat angles P-C4'-P energy: -49.023
tors. eta vs tors. theta energy: -92.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.702 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1003.074171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.074171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.074171 (E_RNA)
where:
Base-Base interactions energy: -659.769
where: short stacking energy: -292.392
Base-Backbone interact. energy: -0.279
local terms energy: -343.025338
where:
bonds (distance) C4'-P energy: -68.445
bonds (distance) P-C4' energy: -67.235
flat angles C4'-P-C4' energy: -64.463
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -101.099
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: 340
Temperature: 1.050000
Total energy: -950.272877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.272877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.272877 (E_RNA)
where:
Base-Base interactions energy: -633.605
where: short stacking energy: -274.051
Base-Backbone interact. energy: -0.757
local terms energy: -315.910923
where:
bonds (distance) C4'-P energy: -55.506
bonds (distance) P-C4' energy: -70.230
flat angles C4'-P-C4' energy: -66.650
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -79.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -812.706932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.706932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.706932 (E_RNA)
where:
Base-Base interactions energy: -523.738
where: short stacking energy: -245.917
Base-Backbone interact. energy: -0.429
local terms energy: -288.539253
where:
bonds (distance) C4'-P energy: -50.123
bonds (distance) P-C4' energy: -61.502
flat angles C4'-P-C4' energy: -65.330
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -73.756
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: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -688.651035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.651035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.651035 (E_RNA)
where:
Base-Base interactions energy: -414.857
where: short stacking energy: -192.306
Base-Backbone interact. energy: -1.598
local terms energy: -272.195764
where:
bonds (distance) C4'-P energy: -53.022
bonds (distance) P-C4' energy: -66.957
flat angles C4'-P-C4' energy: -66.258
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -51.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -416.198284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.198284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.198284 (E_RNA)
where:
Base-Base interactions energy: -174.624
where: short stacking energy: -97.093
Base-Backbone interact. energy: -0.871
local terms energy: -240.703996
where:
bonds (distance) C4'-P energy: -63.152
bonds (distance) P-C4' energy: -68.711
flat angles C4'-P-C4' energy: -54.257
flat angles P-C4'-P energy: -39.564
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -312.234606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.234606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.234606 (E_RNA)
where:
Base-Base interactions energy: -93.450
where: short stacking energy: -87.294
Base-Backbone interact. energy: -0.048
local terms energy: -218.737013
where:
bonds (distance) C4'-P energy: -55.117
bonds (distance) P-C4' energy: -74.030
flat angles C4'-P-C4' energy: -62.028
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -327.406765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.406765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.406765 (E_RNA)
where:
Base-Base interactions energy: -130.340
where: short stacking energy: -84.501
Base-Backbone interact. energy: 0.181
local terms energy: -197.247586
where:
bonds (distance) C4'-P energy: -51.308
bonds (distance) P-C4' energy: -64.872
flat angles C4'-P-C4' energy: -55.355
flat angles P-C4'-P energy: -30.577
tors. eta vs tors. theta energy: 4.865
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: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -263.212794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.212794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.212794 (E_RNA)
where:
Base-Base interactions energy: -101.762
where: short stacking energy: -84.276
Base-Backbone interact. energy: -1.044
local terms energy: -160.407057
where:
bonds (distance) C4'-P energy: -56.312
bonds (distance) P-C4' energy: -50.163
flat angles C4'-P-C4' energy: -37.312
flat angles P-C4'-P energy: -31.084
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: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1104.493879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.493879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.493879 (E_RNA)
where:
Base-Base interactions energy: -778.305
where: short stacking energy: -300.610
Base-Backbone interact. energy: -1.423
local terms energy: -324.765899
where:
bonds (distance) C4'-P energy: -69.241
bonds (distance) P-C4' energy: -52.282
flat angles C4'-P-C4' energy: -68.828
flat angles P-C4'-P energy: -47.987
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: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1060.464457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.464457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.464457 (E_RNA)
where:
Base-Base interactions energy: -686.123
where: short stacking energy: -290.414
Base-Backbone interact. energy: -0.794
local terms energy: -373.548061
where:
bonds (distance) C4'-P energy: -68.865
bonds (distance) P-C4' energy: -71.387
flat angles C4'-P-C4' energy: -75.957
flat angles P-C4'-P energy: -54.295
tors. eta vs tors. theta energy: -103.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1015.028201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.028201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.028201 (E_RNA)
where:
Base-Base interactions energy: -653.793
where: short stacking energy: -276.668
Base-Backbone interact. energy: -0.020
local terms energy: -361.215232
where:
bonds (distance) C4'-P energy: -61.196
bonds (distance) P-C4' energy: -70.983
flat angles C4'-P-C4' energy: -72.860
flat angles P-C4'-P energy: -54.291
tors. eta vs tors. theta energy: -101.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -897.857482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.857482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.857482 (E_RNA)
where:
Base-Base interactions energy: -589.175
where: short stacking energy: -233.801
Base-Backbone interact. energy: -0.711
local terms energy: -307.971927
where:
bonds (distance) C4'-P energy: -69.684
bonds (distance) P-C4' energy: -63.252
flat angles C4'-P-C4' energy: -61.591
flat angles P-C4'-P energy: -44.886
tors. eta vs tors. theta energy: -68.559
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: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -771.751242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.751242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.751242 (E_RNA)
where:
Base-Base interactions energy: -478.172
where: short stacking energy: -209.813
Base-Backbone interact. energy: -1.514
local terms energy: -292.065292
where:
bonds (distance) C4'-P energy: -55.563
bonds (distance) P-C4' energy: -62.851
flat angles C4'-P-C4' energy: -70.216
flat angles P-C4'-P energy: -35.277
tors. eta vs tors. theta energy: -68.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -653.381537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.381537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.381537 (E_RNA)
where:
Base-Base interactions energy: -417.415
where: short stacking energy: -175.652
Base-Backbone interact. energy: -4.544
local terms energy: -231.422113
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -59.357
flat angles C4'-P-C4' energy: -51.880
flat angles P-C4'-P energy: -44.508
tors. eta vs tors. theta energy: -33.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -336.760766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.760766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.760766 (E_RNA)
where:
Base-Base interactions energy: -120.872
where: short stacking energy: -77.330
Base-Backbone interact. energy: -0.314
local terms energy: -215.574135
where:
bonds (distance) C4'-P energy: -63.350
bonds (distance) P-C4' energy: -70.042
flat angles C4'-P-C4' energy: -44.316
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -307.997234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.997234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.997234 (E_RNA)
where:
Base-Base interactions energy: -113.269
where: short stacking energy: -66.570
Base-Backbone interact. energy: -2.095
local terms energy: -193.442909
where:
bonds (distance) C4'-P energy: -56.051
bonds (distance) P-C4' energy: -57.008
flat angles C4'-P-C4' energy: -49.163
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.810 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -299.024069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.024069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.024069 (E_RNA)
where:
Base-Base interactions energy: -113.424
where: short stacking energy: -64.966
Base-Backbone interact. energy: 0.293
local terms energy: -185.893031
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -63.228
flat angles C4'-P-C4' energy: -55.230
flat angles P-C4'-P energy: -27.184
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: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -261.516532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.516532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.516532 (E_RNA)
where:
Base-Base interactions energy: -63.728
where: short stacking energy: -55.928
Base-Backbone interact. energy: -2.760
local terms energy: -195.028749
where:
bonds (distance) C4'-P energy: -60.831
bonds (distance) P-C4' energy: -62.007
flat angles C4'-P-C4' energy: -47.910
flat angles P-C4'-P energy: -27.521
tors. eta vs tors. theta energy: 3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1097.319229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.319229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.319229 (E_RNA)
where:
Base-Base interactions energy: -750.483
where: short stacking energy: -295.250
Base-Backbone interact. energy: -1.094
local terms energy: -345.742121
where:
bonds (distance) C4'-P energy: -63.483
bonds (distance) P-C4' energy: -70.420
flat angles C4'-P-C4' energy: -68.653
flat angles P-C4'-P energy: -51.189
tors. eta vs tors. theta energy: -91.997
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: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1057.085347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.085347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.085347 (E_RNA)
where:
Base-Base interactions energy: -694.453
where: short stacking energy: -293.298
Base-Backbone interact. energy: -1.397
local terms energy: -361.235533
where:
bonds (distance) C4'-P energy: -70.069
bonds (distance) P-C4' energy: -67.937
flat angles C4'-P-C4' energy: -71.303
flat angles P-C4'-P energy: -51.799
tors. eta vs tors. theta energy: -100.127
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: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1021.036253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.036253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.036253 (E_RNA)
where:
Base-Base interactions energy: -677.389
where: short stacking energy: -308.055
Base-Backbone interact. energy: -0.429
local terms energy: -343.217700
where:
bonds (distance) C4'-P energy: -65.408
bonds (distance) P-C4' energy: -63.593
flat angles C4'-P-C4' energy: -71.129
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: -103.423
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: 342
Temperature: 1.050000
Total energy: -936.561640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.561640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.561640 (E_RNA)
where:
Base-Base interactions energy: -624.963
where: short stacking energy: -286.501
Base-Backbone interact. energy: -0.431
local terms energy: -311.167888
where:
bonds (distance) C4'-P energy: -53.106
bonds (distance) P-C4' energy: -59.841
flat angles C4'-P-C4' energy: -65.941
flat angles P-C4'-P energy: -47.483
tors. eta vs tors. theta energy: -84.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -771.143058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.143058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.143058 (E_RNA)
where:
Base-Base interactions energy: -464.319
where: short stacking energy: -229.739
Base-Backbone interact. energy: -0.321
local terms energy: -306.502878
where:
bonds (distance) C4'-P energy: -63.843
bonds (distance) P-C4' energy: -69.795
flat angles C4'-P-C4' energy: -59.702
flat angles P-C4'-P energy: -48.780
tors. eta vs tors. theta energy: -64.382
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: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -672.807934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.807934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.807934 (E_RNA)
where:
Base-Base interactions energy: -413.105
where: short stacking energy: -185.345
Base-Backbone interact. energy: -2.752
local terms energy: -256.950127
where:
bonds (distance) C4'-P energy: -58.718
bonds (distance) P-C4' energy: -60.425
flat angles C4'-P-C4' energy: -65.442
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -40.087
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: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -345.055241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.055241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.055241 (E_RNA)
where:
Base-Base interactions energy: -125.989
where: short stacking energy: -95.756
Base-Backbone interact. energy: -1.107
local terms energy: -217.959459
where:
bonds (distance) C4'-P energy: -61.985
bonds (distance) P-C4' energy: -58.389
flat angles C4'-P-C4' energy: -55.994
flat angles P-C4'-P energy: -28.356
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -294.649062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.649062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.649062 (E_RNA)
where:
Base-Base interactions energy: -92.754
where: short stacking energy: -75.966
Base-Backbone interact. energy: 2.197
local terms energy: -204.091559
where:
bonds (distance) C4'-P energy: -63.559
bonds (distance) P-C4' energy: -67.920
flat angles C4'-P-C4' energy: -52.995
flat angles P-C4'-P energy: -29.726
tors. eta vs tors. theta energy: 10.109
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: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -284.334027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.334027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.334027 (E_RNA)
where:
Base-Base interactions energy: -99.369
where: short stacking energy: -74.386
Base-Backbone interact. energy: -1.269
local terms energy: -183.695379
where:
bonds (distance) C4'-P energy: -54.456
bonds (distance) P-C4' energy: -59.796
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: 7.463
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: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -264.633807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.633807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.633807 (E_RNA)
where:
Base-Base interactions energy: -75.372
where: short stacking energy: -59.055
Base-Backbone interact. energy: -2.420
local terms energy: -186.841684
where:
bonds (distance) C4'-P energy: -60.604
bonds (distance) P-C4' energy: -61.902
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: 10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1091.552377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.552377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.552377 (E_RNA)
where:
Base-Base interactions energy: -741.399
where: short stacking energy: -299.566
Base-Backbone interact. energy: 0.845
local terms energy: -350.998167
where:
bonds (distance) C4'-P energy: -58.967
bonds (distance) P-C4' energy: -61.729
flat angles C4'-P-C4' energy: -72.859
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -102.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1030.270115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.270115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.270115 (E_RNA)
where:
Base-Base interactions energy: -685.620
where: short stacking energy: -294.705
Base-Backbone interact. energy: -0.507
local terms energy: -344.142554
where:
bonds (distance) C4'-P energy: -67.902
bonds (distance) P-C4' energy: -63.411
flat angles C4'-P-C4' energy: -70.338
flat angles P-C4'-P energy: -45.349
tors. eta vs tors. theta energy: -97.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -998.441768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.441768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.441768 (E_RNA)
where:
Base-Base interactions energy: -649.841
where: short stacking energy: -290.891
Base-Backbone interact. energy: 0.577
local terms energy: -349.177159
where:
bonds (distance) C4'-P energy: -65.194
bonds (distance) P-C4' energy: -72.404
flat angles C4'-P-C4' energy: -71.260
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -96.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -924.006381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.006381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.006381 (E_RNA)
where:
Base-Base interactions energy: -597.169
where: short stacking energy: -243.607
Base-Backbone interact. energy: -0.852
local terms energy: -325.985335
where:
bonds (distance) C4'-P energy: -63.389
bonds (distance) P-C4' energy: -58.461
flat angles C4'-P-C4' energy: -76.161
flat angles P-C4'-P energy: -48.358
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: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -797.134271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.134271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.134271 (E_RNA)
where:
Base-Base interactions energy: -523.369
where: short stacking energy: -233.171
Base-Backbone interact. energy: -0.326
local terms energy: -273.439823
where:
bonds (distance) C4'-P energy: -56.853
bonds (distance) P-C4' energy: -62.171
flat angles C4'-P-C4' energy: -52.412
flat angles P-C4'-P energy: -32.245
tors. eta vs tors. theta energy: -69.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -646.623942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.623942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.623942 (E_RNA)
where:
Base-Base interactions energy: -371.697
where: short stacking energy: -173.694
Base-Backbone interact. energy: -1.842
local terms energy: -273.084920
where:
bonds (distance) C4'-P energy: -58.817
bonds (distance) P-C4' energy: -65.210
flat angles C4'-P-C4' energy: -56.263
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -50.329
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: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -334.475970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.475970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.475970 (E_RNA)
where:
Base-Base interactions energy: -141.515
where: short stacking energy: -91.997
Base-Backbone interact. energy: 0.739
local terms energy: -193.700153
where:
bonds (distance) C4'-P energy: -56.168
bonds (distance) P-C4' energy: -59.528
flat angles C4'-P-C4' energy: -54.075
flat angles P-C4'-P energy: -30.950
tors. eta vs tors. theta energy: 7.022
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: 343
Temperature: 1.250000
Total energy: -373.206404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.206404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.206404 (E_RNA)
where:
Base-Base interactions energy: -165.720
where: short stacking energy: -105.867
Base-Backbone interact. energy: -0.024
local terms energy: -207.462922
where:
bonds (distance) C4'-P energy: -44.954
bonds (distance) P-C4' energy: -70.859
flat angles C4'-P-C4' energy: -46.589
flat angles P-C4'-P energy: -35.972
tors. eta vs tors. theta energy: -9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -298.675579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.675579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.675579 (E_RNA)
where:
Base-Base interactions energy: -130.989
where: short stacking energy: -92.183
Base-Backbone interact. energy: 0.849
local terms energy: -168.886392
where:
bonds (distance) C4'-P energy: -52.573
bonds (distance) P-C4' energy: -53.621
flat angles C4'-P-C4' energy: -49.591
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: 4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.351 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -291.901570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.901570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.901570 (E_RNA)
where:
Base-Base interactions energy: -126.392
where: short stacking energy: -64.251
Base-Backbone interact. energy: 0.114
local terms energy: -165.623144
where:
bonds (distance) C4'-P energy: -55.999
bonds (distance) P-C4' energy: -62.438
flat angles C4'-P-C4' energy: -32.383
flat angles P-C4'-P energy: -35.469
tors. eta vs tors. theta energy: 20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1095.018446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.018446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.018446 (E_RNA)
where:
Base-Base interactions energy: -742.183
where: short stacking energy: -279.796
Base-Backbone interact. energy: 0.404
local terms energy: -353.239453
where:
bonds (distance) C4'-P energy: -61.114
bonds (distance) P-C4' energy: -75.536
flat angles C4'-P-C4' energy: -77.081
flat angles P-C4'-P energy: -49.178
tors. eta vs tors. theta energy: -90.330
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: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1035.879867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.879867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.879867 (E_RNA)
where:
Base-Base interactions energy: -684.386
where: short stacking energy: -298.967
Base-Backbone interact. energy: -1.678
local terms energy: -349.815923
where:
bonds (distance) C4'-P energy: -60.047
bonds (distance) P-C4' energy: -70.486
flat angles C4'-P-C4' energy: -72.301
flat angles P-C4'-P energy: -51.952
tors. eta vs tors. theta energy: -95.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1036.530179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.530179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.530179 (E_RNA)
where:
Base-Base interactions energy: -693.305
where: short stacking energy: -283.300
Base-Backbone interact. energy: 0.374
local terms energy: -343.598981
where:
bonds (distance) C4'-P energy: -61.777
bonds (distance) P-C4' energy: -66.279
flat angles C4'-P-C4' energy: -70.599
flat angles P-C4'-P energy: -47.703
tors. eta vs tors. theta energy: -97.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -935.147112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.147112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.147112 (E_RNA)
where:
Base-Base interactions energy: -614.784
where: short stacking energy: -261.395
Base-Backbone interact. energy: 0.639
local terms energy: -321.003066
where:
bonds (distance) C4'-P energy: -64.802
bonds (distance) P-C4' energy: -65.782
flat angles C4'-P-C4' energy: -72.342
flat angles P-C4'-P energy: -36.821
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: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -801.615864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.615864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.615864 (E_RNA)
where:
Base-Base interactions energy: -502.562
where: short stacking energy: -216.630
Base-Backbone interact. energy: -0.649
local terms energy: -298.404670
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -57.889
flat angles C4'-P-C4' energy: -68.200
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -75.371
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: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -616.617489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.617489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.617489 (E_RNA)
where:
Base-Base interactions energy: -376.077
where: short stacking energy: -167.598
Base-Backbone interact. energy: -1.753
local terms energy: -238.787674
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -61.157
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -39.177
tors. eta vs tors. theta energy: -31.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -347.696855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.696855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.696855 (E_RNA)
where:
Base-Base interactions energy: -122.121
where: short stacking energy: -93.106
Base-Backbone interact. energy: -0.704
local terms energy: -224.871875
where:
bonds (distance) C4'-P energy: -61.226
bonds (distance) P-C4' energy: -61.025
flat angles C4'-P-C4' energy: -56.570
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -323.707439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.707439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.707439 (E_RNA)
where:
Base-Base interactions energy: -127.222
where: short stacking energy: -69.177
Base-Backbone interact. energy: 1.812
local terms energy: -198.297547
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -66.946
flat angles C4'-P-C4' energy: -44.730
flat angles P-C4'-P energy: -43.351
tors. eta vs tors. theta energy: 16.354
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: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -318.347659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.347659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.347659 (E_RNA)
where:
Base-Base interactions energy: -145.744
where: short stacking energy: -88.414
Base-Backbone interact. energy: -1.898
local terms energy: -170.705368
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -53.716
flat angles C4'-P-C4' energy: -50.767
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: 5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -257.533302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.533302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.533302 (E_RNA)
where:
Base-Base interactions energy: -87.790
where: short stacking energy: -62.835
Base-Backbone interact. energy: 1.388
local terms energy: -171.131609
where:
bonds (distance) C4'-P energy: -56.302
bonds (distance) P-C4' energy: -51.820
flat angles C4'-P-C4' energy: -45.700
flat angles P-C4'-P energy: -25.500
tors. eta vs tors. theta energy: 8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1111.484426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.484426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.484426 (E_RNA)
where:
Base-Base interactions energy: -768.411
where: short stacking energy: -288.350
Base-Backbone interact. energy: -0.382
local terms energy: -342.691021
where:
bonds (distance) C4'-P energy: -65.362
bonds (distance) P-C4' energy: -63.482
flat angles C4'-P-C4' energy: -79.474
flat angles P-C4'-P energy: -44.786
tors. eta vs tors. theta energy: -89.587
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: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1043.079004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.079004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.079004 (E_RNA)
where:
Base-Base interactions energy: -696.415
where: short stacking energy: -293.226
Base-Backbone interact. energy: 1.153
local terms energy: -347.816999
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -72.068
flat angles C4'-P-C4' energy: -68.872
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: -102.757
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: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1048.940173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.940173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.940173 (E_RNA)
where:
Base-Base interactions energy: -709.659
where: short stacking energy: -317.865
Base-Backbone interact. energy: -0.391
local terms energy: -338.889606
where:
bonds (distance) C4'-P energy: -56.367
bonds (distance) P-C4' energy: -59.254
flat angles C4'-P-C4' energy: -65.221
flat angles P-C4'-P energy: -51.550
tors. eta vs tors. theta energy: -106.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -903.087179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.087179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.087179 (E_RNA)
where:
Base-Base interactions energy: -586.650
where: short stacking energy: -270.187
Base-Backbone interact. energy: -0.325
local terms energy: -316.111769
where:
bonds (distance) C4'-P energy: -56.799
bonds (distance) P-C4' energy: -62.928
flat angles C4'-P-C4' energy: -74.693
flat angles P-C4'-P energy: -39.306
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: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -820.861698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.861698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.861698 (E_RNA)
where:
Base-Base interactions energy: -533.811
where: short stacking energy: -243.811
Base-Backbone interact. energy: -1.754
local terms energy: -285.296341
where:
bonds (distance) C4'-P energy: -54.290
bonds (distance) P-C4' energy: -60.184
flat angles C4'-P-C4' energy: -63.658
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -66.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -676.915597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.915597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.915597 (E_RNA)
where:
Base-Base interactions energy: -395.544
where: short stacking energy: -186.791
Base-Backbone interact. energy: -0.394
local terms energy: -280.977807
where:
bonds (distance) C4'-P energy: -52.388
bonds (distance) P-C4' energy: -70.136
flat angles C4'-P-C4' energy: -69.110
flat angles P-C4'-P energy: -36.745
tors. eta vs tors. theta energy: -52.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -325.807145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.807145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.807145 (E_RNA)
where:
Base-Base interactions energy: -105.097
where: short stacking energy: -82.627
Base-Backbone interact. energy: -1.070
local terms energy: -219.640082
where:
bonds (distance) C4'-P energy: -70.970
bonds (distance) P-C4' energy: -66.433
flat angles C4'-P-C4' energy: -55.331
flat angles P-C4'-P energy: -26.922
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -289.132756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.132756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.132756 (E_RNA)
where:
Base-Base interactions energy: -107.538
where: short stacking energy: -82.494
Base-Backbone interact. energy: 3.759
local terms energy: -185.353870
where:
bonds (distance) C4'-P energy: -48.339
bonds (distance) P-C4' energy: -54.517
flat angles C4'-P-C4' energy: -53.274
flat angles P-C4'-P energy: -36.658
tors. eta vs tors. theta energy: 7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -272.237127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.237127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.237127 (E_RNA)
where:
Base-Base interactions energy: -93.085
where: short stacking energy: -62.014
Base-Backbone interact. energy: -1.875
local terms energy: -177.276697
where:
bonds (distance) C4'-P energy: -49.927
bonds (distance) P-C4' energy: -58.166
flat angles C4'-P-C4' energy: -51.658
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: 12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -255.656423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.656423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.656423 (E_RNA)
where:
Base-Base interactions energy: -85.862
where: short stacking energy: -58.931
Base-Backbone interact. energy: -0.578
local terms energy: -169.215925
where:
bonds (distance) C4'-P energy: -50.722
bonds (distance) P-C4' energy: -65.044
flat angles C4'-P-C4' energy: -51.743
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: 25.667
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: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1103.656303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.656303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.656303 (E_RNA)
where:
Base-Base interactions energy: -749.715
where: short stacking energy: -300.129
Base-Backbone interact. energy: -3.329
local terms energy: -350.612748
where:
bonds (distance) C4'-P energy: -67.350
bonds (distance) P-C4' energy: -62.365
flat angles C4'-P-C4' energy: -74.081
flat angles P-C4'-P energy: -50.972
tors. eta vs tors. theta energy: -95.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1049.963326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.963326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.963326 (E_RNA)
where:
Base-Base interactions energy: -707.269
where: short stacking energy: -283.193
Base-Backbone interact. energy: -1.026
local terms energy: -341.668135
where:
bonds (distance) C4'-P energy: -71.253
bonds (distance) P-C4' energy: -57.150
flat angles C4'-P-C4' energy: -66.883
flat angles P-C4'-P energy: -46.841
tors. eta vs tors. theta energy: -99.540
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: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1042.791277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.791277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.791277 (E_RNA)
where:
Base-Base interactions energy: -684.973
where: short stacking energy: -297.628
Base-Backbone interact. energy: 0.748
local terms energy: -358.566193
where:
bonds (distance) C4'-P energy: -70.767
bonds (distance) P-C4' energy: -67.418
flat angles C4'-P-C4' energy: -75.717
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -101.349
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: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -955.021849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.021849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.021849 (E_RNA)
where:
Base-Base interactions energy: -609.178
where: short stacking energy: -268.625
Base-Backbone interact. energy: 0.951
local terms energy: -346.794370
where:
bonds (distance) C4'-P energy: -76.517
bonds (distance) P-C4' energy: -67.926
flat angles C4'-P-C4' energy: -74.982
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -84.383
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: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -825.152842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.152842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.152842 (E_RNA)
where:
Base-Base interactions energy: -527.594
where: short stacking energy: -217.462
Base-Backbone interact. energy: -1.166
local terms energy: -296.393102
where:
bonds (distance) C4'-P energy: -60.323
bonds (distance) P-C4' energy: -64.679
flat angles C4'-P-C4' energy: -52.032
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -70.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -607.696288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.696288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.696288 (E_RNA)
where:
Base-Base interactions energy: -352.927
where: short stacking energy: -158.489
Base-Backbone interact. energy: 3.092
local terms energy: -257.861115
where:
bonds (distance) C4'-P energy: -55.889
bonds (distance) P-C4' energy: -63.718
flat angles C4'-P-C4' energy: -55.248
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -36.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -351.409782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.409782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.409782 (E_RNA)
where:
Base-Base interactions energy: -143.028
where: short stacking energy: -118.401
Base-Backbone interact. energy: 0.806
local terms energy: -209.188208
where:
bonds (distance) C4'-P energy: -47.092
bonds (distance) P-C4' energy: -63.302
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -28.587
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -283.749673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.749673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.749673 (E_RNA)
where:
Base-Base interactions energy: -106.320
where: short stacking energy: -61.426
Base-Backbone interact. energy: -2.380
local terms energy: -175.049765
where:
bonds (distance) C4'-P energy: -61.619
bonds (distance) P-C4' energy: -55.793
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -26.373
tors. eta vs tors. theta energy: 8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -300.775024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.775024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.775024 (E_RNA)
where:
Base-Base interactions energy: -127.129
where: short stacking energy: -59.436
Base-Backbone interact. energy: -2.527
local terms energy: -171.119221
where:
bonds (distance) C4'-P energy: -53.599
bonds (distance) P-C4' energy: -54.389
flat angles C4'-P-C4' energy: -62.120
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: 17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -295.492407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.492407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.492407 (E_RNA)
where:
Base-Base interactions energy: -100.735
where: short stacking energy: -63.980
Base-Backbone interact. energy: 0.351
local terms energy: -195.108644
where:
bonds (distance) C4'-P energy: -57.403
bonds (distance) P-C4' energy: -59.632
flat angles C4'-P-C4' energy: -54.628
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: 10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1115.093113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.093113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.093113 (E_RNA)
where:
Base-Base interactions energy: -755.263
where: short stacking energy: -295.528
Base-Backbone interact. energy: -2.541
local terms energy: -357.289288
where:
bonds (distance) C4'-P energy: -69.805
bonds (distance) P-C4' energy: -76.649
flat angles C4'-P-C4' energy: -72.602
flat angles P-C4'-P energy: -52.086
tors. eta vs tors. theta energy: -86.146
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: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1051.251801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.251801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.251801 (E_RNA)
where:
Base-Base interactions energy: -694.553
where: short stacking energy: -294.789
Base-Backbone interact. energy: -1.008
local terms energy: -355.690973
where:
bonds (distance) C4'-P energy: -69.732
bonds (distance) P-C4' energy: -73.929
flat angles C4'-P-C4' energy: -70.449
flat angles P-C4'-P energy: -52.772
tors. eta vs tors. theta energy: -88.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1026.020142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.020142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.020142 (E_RNA)
where:
Base-Base interactions energy: -676.329
where: short stacking energy: -283.361
Base-Backbone interact. energy: -1.362
local terms energy: -348.328746
where:
bonds (distance) C4'-P energy: -69.012
bonds (distance) P-C4' energy: -68.957
flat angles C4'-P-C4' energy: -75.224
flat angles P-C4'-P energy: -42.686
tors. eta vs tors. theta energy: -92.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -944.571078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.571078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.571078 (E_RNA)
where:
Base-Base interactions energy: -608.184
where: short stacking energy: -273.973
Base-Backbone interact. energy: -1.045
local terms energy: -335.342267
where:
bonds (distance) C4'-P energy: -65.337
bonds (distance) P-C4' energy: -65.915
flat angles C4'-P-C4' energy: -67.128
flat angles P-C4'-P energy: -40.833
tors. eta vs tors. theta energy: -96.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -801.956986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.956986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.956986 (E_RNA)
where:
Base-Base interactions energy: -500.485
where: short stacking energy: -210.415
Base-Backbone interact. energy: -1.197
local terms energy: -302.033980
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -63.733
flat angles C4'-P-C4' energy: -62.809
flat angles P-C4'-P energy: -48.753
tors. eta vs tors. theta energy: -64.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.759 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -700.757251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.757251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.757251 (E_RNA)
where:
Base-Base interactions energy: -425.256
where: short stacking energy: -187.641
Base-Backbone interact. energy: 3.434
local terms energy: -278.935970
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -59.247
flat angles C4'-P-C4' energy: -78.401
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -51.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -329.473749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.473749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.473749 (E_RNA)
where:
Base-Base interactions energy: -131.168
where: short stacking energy: -84.644
Base-Backbone interact. energy: 0.081
local terms energy: -198.386554
where:
bonds (distance) C4'-P energy: -45.987
bonds (distance) P-C4' energy: -63.605
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: 1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -313.492557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.492557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.492557 (E_RNA)
where:
Base-Base interactions energy: -129.488
where: short stacking energy: -85.375
Base-Backbone interact. energy: 0.104
local terms energy: -184.108888
where:
bonds (distance) C4'-P energy: -63.328
bonds (distance) P-C4' energy: -53.842
flat angles C4'-P-C4' energy: -44.113
flat angles P-C4'-P energy: -30.516
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: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -267.919140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.919140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.919140 (E_RNA)
where:
Base-Base interactions energy: -121.643
where: short stacking energy: -79.573
Base-Backbone interact. energy: -2.256
local terms energy: -144.020436
where:
bonds (distance) C4'-P energy: -52.065
bonds (distance) P-C4' energy: -61.426
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: 19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -319.305142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.305142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.305142 (E_RNA)
where:
Base-Base interactions energy: -126.238
where: short stacking energy: -77.578
Base-Backbone interact. energy: -1.813
local terms energy: -191.254303
where:
bonds (distance) C4'-P energy: -55.853
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -55.829
flat angles P-C4'-P energy: -26.837
tors. eta vs tors. theta energy: 1.675
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: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1120.989022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.989022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.989022 (E_RNA)
where:
Base-Base interactions energy: -778.179
where: short stacking energy: -304.883
Base-Backbone interact. energy: -3.807
local terms energy: -339.002878
where:
bonds (distance) C4'-P energy: -65.997
bonds (distance) P-C4' energy: -63.846
flat angles C4'-P-C4' energy: -79.731
flat angles P-C4'-P energy: -38.685
tors. eta vs tors. theta energy: -90.744
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: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1057.602699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.602699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.602699 (E_RNA)
where:
Base-Base interactions energy: -708.609
where: short stacking energy: -295.588
Base-Backbone interact. energy: -0.285
local terms energy: -348.708343
where:
bonds (distance) C4'-P energy: -59.389
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -78.696
flat angles P-C4'-P energy: -49.338
tors. eta vs tors. theta energy: -98.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -944.305993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.305993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.305993 (E_RNA)
where:
Base-Base interactions energy: -613.261
where: short stacking energy: -274.268
Base-Backbone interact. energy: 1.109
local terms energy: -332.154051
where:
bonds (distance) C4'-P energy: -59.875
bonds (distance) P-C4' energy: -62.515
flat angles C4'-P-C4' energy: -67.111
flat angles P-C4'-P energy: -52.959
tors. eta vs tors. theta energy: -89.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -983.556901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.556901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.556901 (E_RNA)
where:
Base-Base interactions energy: -655.044
where: short stacking energy: -274.668
Base-Backbone interact. energy: 1.118
local terms energy: -329.630311
where:
bonds (distance) C4'-P energy: -58.162
bonds (distance) P-C4' energy: -61.501
flat angles C4'-P-C4' energy: -72.575
flat angles P-C4'-P energy: -48.462
tors. eta vs tors. theta energy: -88.930
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: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -830.159899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.159899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.159899 (E_RNA)
where:
Base-Base interactions energy: -518.663
where: short stacking energy: -227.906
Base-Backbone interact. energy: 3.454
local terms energy: -314.950712
where:
bonds (distance) C4'-P energy: -63.167
bonds (distance) P-C4' energy: -65.498
flat angles C4'-P-C4' energy: -66.933
flat angles P-C4'-P energy: -39.901
tors. eta vs tors. theta energy: -79.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -693.490592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.490592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.490592 (E_RNA)
where:
Base-Base interactions energy: -426.004
where: short stacking energy: -185.344
Base-Backbone interact. energy: 1.526
local terms energy: -269.012855
where:
bonds (distance) C4'-P energy: -57.188
bonds (distance) P-C4' energy: -57.785
flat angles C4'-P-C4' energy: -64.655
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -49.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -326.255267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.255267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.255267 (E_RNA)
where:
Base-Base interactions energy: -119.553
where: short stacking energy: -79.266
Base-Backbone interact. energy: -0.514
local terms energy: -207.491938
where:
bonds (distance) C4'-P energy: -62.072
bonds (distance) P-C4' energy: -70.115
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -33.848
tors. eta vs tors. theta energy: 3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.304 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -307.394085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.394085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.394085 (E_RNA)
where:
Base-Base interactions energy: -132.808
where: short stacking energy: -79.760
Base-Backbone interact. energy: -0.921
local terms energy: -173.665559
where:
bonds (distance) C4'-P energy: -48.865
bonds (distance) P-C4' energy: -52.749
flat angles C4'-P-C4' energy: -54.347
flat angles P-C4'-P energy: -28.297
tors. eta vs tors. theta energy: 10.592
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: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -285.180511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.180511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.180511 (E_RNA)
where:
Base-Base interactions energy: -94.822
where: short stacking energy: -59.743
Base-Backbone interact. energy: -0.395
local terms energy: -191.607987
where:
bonds (distance) C4'-P energy: -56.039
bonds (distance) P-C4' energy: -69.535
flat angles C4'-P-C4' energy: -47.015
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: 23.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.644 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -259.570474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.570474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.570474 (E_RNA)
where:
Base-Base interactions energy: -94.591
where: short stacking energy: -68.808
Base-Backbone interact. energy: 0.219
local terms energy: -165.198702
where:
bonds (distance) C4'-P energy: -50.014
bonds (distance) P-C4' energy: -59.432
flat angles C4'-P-C4' energy: -38.586
flat angles P-C4'-P energy: -36.968
tors. eta vs tors. theta energy: 19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1124.367114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.367114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.367114 (E_RNA)
where:
Base-Base interactions energy: -764.102
where: short stacking energy: -305.457
Base-Backbone interact. energy: -0.992
local terms energy: -359.273452
where:
bonds (distance) C4'-P energy: -67.098
bonds (distance) P-C4' energy: -66.347
flat angles C4'-P-C4' energy: -71.245
flat angles P-C4'-P energy: -47.965
tors. eta vs tors. theta energy: -106.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1049.774596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.774596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.774596 (E_RNA)
where:
Base-Base interactions energy: -693.639
where: short stacking energy: -289.709
Base-Backbone interact. energy: -0.729
local terms energy: -355.407441
where:
bonds (distance) C4'-P energy: -56.661
bonds (distance) P-C4' energy: -73.056
flat angles C4'-P-C4' energy: -76.839
flat angles P-C4'-P energy: -49.423
tors. eta vs tors. theta energy: -99.429
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: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -963.392577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.392577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.392577 (E_RNA)
where:
Base-Base interactions energy: -644.514
where: short stacking energy: -297.825
Base-Backbone interact. energy: -1.403
local terms energy: -317.475856
where:
bonds (distance) C4'-P energy: -53.583
bonds (distance) P-C4' energy: -57.656
flat angles C4'-P-C4' energy: -69.943
flat angles P-C4'-P energy: -43.744
tors. eta vs tors. theta energy: -92.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1011.741550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.741550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.741550 (E_RNA)
where:
Base-Base interactions energy: -662.985
where: short stacking energy: -308.597
Base-Backbone interact. energy: -0.845
local terms energy: -347.911407
where:
bonds (distance) C4'-P energy: -61.193
bonds (distance) P-C4' energy: -64.157
flat angles C4'-P-C4' energy: -82.142
flat angles P-C4'-P energy: -42.456
tors. eta vs tors. theta energy: -97.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -796.735354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.735354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.735354 (E_RNA)
where:
Base-Base interactions energy: -514.643
where: short stacking energy: -223.185
Base-Backbone interact. energy: -1.755
local terms energy: -280.337277
where:
bonds (distance) C4'-P energy: -52.766
bonds (distance) P-C4' energy: -68.240
flat angles C4'-P-C4' energy: -61.686
flat angles P-C4'-P energy: -41.721
tors. eta vs tors. theta energy: -55.924
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: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -676.604737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.604737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.604737 (E_RNA)
where:
Base-Base interactions energy: -414.360
where: short stacking energy: -196.704
Base-Backbone interact. energy: 0.342
local terms energy: -262.587172
where:
bonds (distance) C4'-P energy: -52.793
bonds (distance) P-C4' energy: -61.432
flat angles C4'-P-C4' energy: -66.075
flat angles P-C4'-P energy: -35.584
tors. eta vs tors. theta energy: -46.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -336.556675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.556675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.556675 (E_RNA)
where:
Base-Base interactions energy: -147.492
where: short stacking energy: -81.816
Base-Backbone interact. energy: 2.107
local terms energy: -191.171454
where:
bonds (distance) C4'-P energy: -50.799
bonds (distance) P-C4' energy: -65.287
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -34.085
tors. eta vs tors. theta energy: 10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -301.014719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.014719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.014719 (E_RNA)
where:
Base-Base interactions energy: -116.637
where: short stacking energy: -86.137
Base-Backbone interact. energy: 0.582
local terms energy: -184.960583
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -60.958
flat angles C4'-P-C4' energy: -48.203
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: 8.041
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: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -282.804263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.804263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.804263 (E_RNA)
where:
Base-Base interactions energy: -78.179
where: short stacking energy: -63.830
Base-Backbone interact. energy: 5.057
local terms energy: -209.683225
where:
bonds (distance) C4'-P energy: -62.026
bonds (distance) P-C4' energy: -56.624
flat angles C4'-P-C4' energy: -56.590
flat angles P-C4'-P energy: -33.227
tors. eta vs tors. theta energy: -1.216
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: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -272.764078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.764078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.764078 (E_RNA)
where:
Base-Base interactions energy: -87.353
where: short stacking energy: -67.233
Base-Backbone interact. energy: -1.685
local terms energy: -183.726400
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -58.673
flat angles C4'-P-C4' energy: -54.105
flat angles P-C4'-P energy: -26.268
tors. eta vs tors. theta energy: 12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1137.967961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.967961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.967961 (E_RNA)
where:
Base-Base interactions energy: -763.119
where: short stacking energy: -295.865
Base-Backbone interact. energy: -2.725
local terms energy: -372.123414
where:
bonds (distance) C4'-P energy: -67.656
bonds (distance) P-C4' energy: -66.839
flat angles C4'-P-C4' energy: -77.022
flat angles P-C4'-P energy: -53.459
tors. eta vs tors. theta energy: -107.147
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: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1054.301227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.301227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.301227 (E_RNA)
where:
Base-Base interactions energy: -697.112
where: short stacking energy: -301.094
Base-Backbone interact. energy: -0.634
local terms energy: -356.555271
where:
bonds (distance) C4'-P energy: -70.753
bonds (distance) P-C4' energy: -66.736
flat angles C4'-P-C4' energy: -67.421
flat angles P-C4'-P energy: -53.174
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: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1048.218413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.218413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.218413 (E_RNA)
where:
Base-Base interactions energy: -686.160
where: short stacking energy: -308.054
Base-Backbone interact. energy: -0.312
local terms energy: -361.746536
where:
bonds (distance) C4'-P energy: -61.594
bonds (distance) P-C4' energy: -68.118
flat angles C4'-P-C4' energy: -74.820
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -111.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -971.214118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.214118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.214118 (E_RNA)
where:
Base-Base interactions energy: -639.112
where: short stacking energy: -283.505
Base-Backbone interact. energy: -1.222
local terms energy: -330.879848
where:
bonds (distance) C4'-P energy: -64.443
bonds (distance) P-C4' energy: -63.680
flat angles C4'-P-C4' energy: -70.505
flat angles P-C4'-P energy: -37.198
tors. eta vs tors. theta energy: -95.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -773.323664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.323664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.323664 (E_RNA)
where:
Base-Base interactions energy: -493.633
where: short stacking energy: -193.513
Base-Backbone interact. energy: 0.547
local terms energy: -280.237874
where:
bonds (distance) C4'-P energy: -60.115
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -64.887
flat angles P-C4'-P energy: -39.100
tors. eta vs tors. theta energy: -60.983
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: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -674.757208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.757208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.757208 (E_RNA)
where:
Base-Base interactions energy: -404.437
where: short stacking energy: -188.193
Base-Backbone interact. energy: -1.433
local terms energy: -268.887682
where:
bonds (distance) C4'-P energy: -63.745
bonds (distance) P-C4' energy: -56.828
flat angles C4'-P-C4' energy: -64.387
flat angles P-C4'-P energy: -40.368
tors. eta vs tors. theta energy: -43.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -346.176825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.176825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.176825 (E_RNA)
where:
Base-Base interactions energy: -136.703
where: short stacking energy: -87.669
Base-Backbone interact. energy: -0.160
local terms energy: -209.313792
where:
bonds (distance) C4'-P energy: -54.137
bonds (distance) P-C4' energy: -61.122
flat angles C4'-P-C4' energy: -48.096
flat angles P-C4'-P energy: -31.562
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -310.099887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.099887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.099887 (E_RNA)
where:
Base-Base interactions energy: -91.701
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.986
local terms energy: -217.413148
where:
bonds (distance) C4'-P energy: -66.961
bonds (distance) P-C4' energy: -75.016
flat angles C4'-P-C4' energy: -57.469
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: 3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -318.777114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.777114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.777114 (E_RNA)
where:
Base-Base interactions energy: -115.962
where: short stacking energy: -86.653
Base-Backbone interact. energy: 1.133
local terms energy: -203.947456
where:
bonds (distance) C4'-P energy: -48.123
bonds (distance) P-C4' energy: -66.694
flat angles C4'-P-C4' energy: -52.415
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: 2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -262.064033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.064033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.064033 (E_RNA)
where:
Base-Base interactions energy: -85.255
where: short stacking energy: -45.069
Base-Backbone interact. energy: -1.776
local terms energy: -175.032940
where:
bonds (distance) C4'-P energy: -56.865
bonds (distance) P-C4' energy: -61.241
flat angles C4'-P-C4' energy: -44.586
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: 14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1116.313250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.313250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.313250 (E_RNA)
where:
Base-Base interactions energy: -738.995
where: short stacking energy: -295.268
Base-Backbone interact. energy: -1.820
local terms energy: -375.497734
where:
bonds (distance) C4'-P energy: -61.659
bonds (distance) P-C4' energy: -81.355
flat angles C4'-P-C4' energy: -76.203
flat angles P-C4'-P energy: -52.155
tors. eta vs tors. theta energy: -104.126
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: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1036.052699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.052699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.052699 (E_RNA)
where:
Base-Base interactions energy: -690.830
where: short stacking energy: -293.345
Base-Backbone interact. energy: -0.515
local terms energy: -344.708237
where:
bonds (distance) C4'-P energy: -64.040
bonds (distance) P-C4' energy: -71.089
flat angles C4'-P-C4' energy: -63.393
flat angles P-C4'-P energy: -52.592
tors. eta vs tors. theta energy: -93.594
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: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1035.534276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.534276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.534276 (E_RNA)
where:
Base-Base interactions energy: -677.548
where: short stacking energy: -299.483
Base-Backbone interact. energy: -0.068
local terms energy: -357.917779
where:
bonds (distance) C4'-P energy: -68.829
bonds (distance) P-C4' energy: -66.629
flat angles C4'-P-C4' energy: -71.930
flat angles P-C4'-P energy: -44.292
tors. eta vs tors. theta energy: -106.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -956.387879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.387879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.387879 (E_RNA)
where:
Base-Base interactions energy: -617.753
where: short stacking energy: -268.304
Base-Backbone interact. energy: -0.716
local terms energy: -337.918962
where:
bonds (distance) C4'-P energy: -64.352
bonds (distance) P-C4' energy: -60.284
flat angles C4'-P-C4' energy: -78.294
flat angles P-C4'-P energy: -51.039
tors. eta vs tors. theta energy: -83.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -760.184874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.184874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.184874 (E_RNA)
where:
Base-Base interactions energy: -487.618
where: short stacking energy: -186.616
Base-Backbone interact. energy: 0.288
local terms energy: -272.854926
where:
bonds (distance) C4'-P energy: -53.348
bonds (distance) P-C4' energy: -65.360
flat angles C4'-P-C4' energy: -61.605
flat angles P-C4'-P energy: -41.183
tors. eta vs tors. theta energy: -51.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -621.069907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.069907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.069907 (E_RNA)
where:
Base-Base interactions energy: -376.243
where: short stacking energy: -180.052
Base-Backbone interact. energy: 1.389
local terms energy: -246.216039
where:
bonds (distance) C4'-P energy: -60.030
bonds (distance) P-C4' energy: -46.456
flat angles C4'-P-C4' energy: -67.162
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -41.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -311.311854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.311854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.311854 (E_RNA)
where:
Base-Base interactions energy: -117.221
where: short stacking energy: -71.263
Base-Backbone interact. energy: -1.274
local terms energy: -192.817259
where:
bonds (distance) C4'-P energy: -52.024
bonds (distance) P-C4' energy: -67.631
flat angles C4'-P-C4' energy: -56.722
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: 13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -335.680006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.680006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.680006 (E_RNA)
where:
Base-Base interactions energy: -133.925
where: short stacking energy: -81.978
Base-Backbone interact. energy: -1.383
local terms energy: -200.372234
where:
bonds (distance) C4'-P energy: -58.647
bonds (distance) P-C4' energy: -63.798
flat angles C4'-P-C4' energy: -44.118
flat angles P-C4'-P energy: -28.706
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -276.805332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.805332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.805332 (E_RNA)
where:
Base-Base interactions energy: -81.429
where: short stacking energy: -78.148
Base-Backbone interact. energy: 7.007
local terms energy: -202.678318
where:
bonds (distance) C4'-P energy: -52.916
bonds (distance) P-C4' energy: -64.019
flat angles C4'-P-C4' energy: -50.571
flat angles P-C4'-P energy: -30.908
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.295 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -275.902511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.902511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.902511 (E_RNA)
where:
Base-Base interactions energy: -99.281
where: short stacking energy: -59.580
Base-Backbone interact. energy: 0.751
local terms energy: -177.372191
where:
bonds (distance) C4'-P energy: -71.303
bonds (distance) P-C4' energy: -51.591
flat angles C4'-P-C4' energy: -30.112
flat angles P-C4'-P energy: -35.375
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: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1111.699454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.699454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.699454 (E_RNA)
where:
Base-Base interactions energy: -755.293
where: short stacking energy: -299.886
Base-Backbone interact. energy: -1.825
local terms energy: -354.582107
where:
bonds (distance) C4'-P energy: -68.702
bonds (distance) P-C4' energy: -67.204
flat angles C4'-P-C4' energy: -77.255
flat angles P-C4'-P energy: -47.103
tors. eta vs tors. theta energy: -94.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1050.445672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.445672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.445672 (E_RNA)
where:
Base-Base interactions energy: -699.354
where: short stacking energy: -294.004
Base-Backbone interact. energy: -0.892
local terms energy: -350.200254
where:
bonds (distance) C4'-P energy: -63.527
bonds (distance) P-C4' energy: -65.489
flat angles C4'-P-C4' energy: -68.355
flat angles P-C4'-P energy: -51.321
tors. eta vs tors. theta energy: -101.508
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: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1023.749152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.749152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.749152 (E_RNA)
where:
Base-Base interactions energy: -658.652
where: short stacking energy: -295.979
Base-Backbone interact. energy: -0.439
local terms energy: -364.658304
where:
bonds (distance) C4'-P energy: -64.433
bonds (distance) P-C4' energy: -61.692
flat angles C4'-P-C4' energy: -77.649
flat angles P-C4'-P energy: -52.666
tors. eta vs tors. theta energy: -108.218
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: 352
Temperature: 1.050000
Total energy: -970.465633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.465633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.465633 (E_RNA)
where:
Base-Base interactions energy: -631.570
where: short stacking energy: -280.286
Base-Backbone interact. energy: -0.958
local terms energy: -337.937975
where:
bonds (distance) C4'-P energy: -50.832
bonds (distance) P-C4' energy: -66.909
flat angles C4'-P-C4' energy: -76.646
flat angles P-C4'-P energy: -53.862
tors. eta vs tors. theta energy: -89.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -778.599126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.599126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.599126 (E_RNA)
where:
Base-Base interactions energy: -514.211
where: short stacking energy: -218.405
Base-Backbone interact. energy: -1.207
local terms energy: -263.180984
where:
bonds (distance) C4'-P energy: -52.411
bonds (distance) P-C4' energy: -61.700
flat angles C4'-P-C4' energy: -57.240
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: -55.316
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: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -599.824095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.824095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.824095 (E_RNA)
where:
Base-Base interactions energy: -354.400
where: short stacking energy: -161.154
Base-Backbone interact. energy: 1.498
local terms energy: -247.050281
where:
bonds (distance) C4'-P energy: -60.359
bonds (distance) P-C4' energy: -57.885
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -32.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.129 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -396.478967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.478967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.478967 (E_RNA)
where:
Base-Base interactions energy: -198.717
where: short stacking energy: -104.188
Base-Backbone interact. energy: 1.480
local terms energy: -199.242365
where:
bonds (distance) C4'-P energy: -55.893
bonds (distance) P-C4' energy: -63.113
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: 0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -290.930346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.930346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.930346 (E_RNA)
where:
Base-Base interactions energy: -85.471
where: short stacking energy: -81.397
Base-Backbone interact. energy: -0.204
local terms energy: -205.255592
where:
bonds (distance) C4'-P energy: -50.117
bonds (distance) P-C4' energy: -62.360
flat angles C4'-P-C4' energy: -55.472
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -291.605810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.605810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.605810 (E_RNA)
where:
Base-Base interactions energy: -111.754
where: short stacking energy: -66.087
Base-Backbone interact. energy: 3.133
local terms energy: -182.985388
where:
bonds (distance) C4'-P energy: -49.532
bonds (distance) P-C4' energy: -58.976
flat angles C4'-P-C4' energy: -45.302
flat angles P-C4'-P energy: -37.646
tors. eta vs tors. theta energy: 8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -276.360818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.360818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.360818 (E_RNA)
where:
Base-Base interactions energy: -86.004
where: short stacking energy: -63.187
Base-Backbone interact. energy: 4.026
local terms energy: -194.382499
where:
bonds (distance) C4'-P energy: -55.526
bonds (distance) P-C4' energy: -67.806
flat angles C4'-P-C4' energy: -41.120
flat angles P-C4'-P energy: -39.347
tors. eta vs tors. theta energy: 9.416
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: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1126.480193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.480193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.480193 (E_RNA)
where:
Base-Base interactions energy: -760.859
where: short stacking energy: -295.137
Base-Backbone interact. energy: -2.834
local terms energy: -362.787411
where:
bonds (distance) C4'-P energy: -75.866
bonds (distance) P-C4' energy: -63.761
flat angles C4'-P-C4' energy: -75.047
flat angles P-C4'-P energy: -48.380
tors. eta vs tors. theta energy: -99.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1052.191756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.191756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.191756 (E_RNA)
where:
Base-Base interactions energy: -720.589
where: short stacking energy: -290.916
Base-Backbone interact. energy: 0.144
local terms energy: -331.747028
where:
bonds (distance) C4'-P energy: -52.989
bonds (distance) P-C4' energy: -68.230
flat angles C4'-P-C4' energy: -72.775
flat angles P-C4'-P energy: -46.287
tors. eta vs tors. theta energy: -91.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1031.871013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.871013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.871013 (E_RNA)
where:
Base-Base interactions energy: -665.225
where: short stacking energy: -299.496
Base-Backbone interact. energy: -2.969
local terms energy: -363.677639
where:
bonds (distance) C4'-P energy: -62.747
bonds (distance) P-C4' energy: -65.956
flat angles C4'-P-C4' energy: -68.059
flat angles P-C4'-P energy: -58.946
tors. eta vs tors. theta energy: -107.969
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: 353
Temperature: 1.050000
Total energy: -928.503823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.503823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.503823 (E_RNA)
where:
Base-Base interactions energy: -619.365
where: short stacking energy: -265.357
Base-Backbone interact. energy: 1.495
local terms energy: -310.633482
where:
bonds (distance) C4'-P energy: -67.807
bonds (distance) P-C4' energy: -59.288
flat angles C4'-P-C4' energy: -67.505
flat angles P-C4'-P energy: -39.053
tors. eta vs tors. theta energy: -76.980
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: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -733.854387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.854387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.854387 (E_RNA)
where:
Base-Base interactions energy: -459.437
where: short stacking energy: -191.891
Base-Backbone interact. energy: -1.473
local terms energy: -272.944410
where:
bonds (distance) C4'-P energy: -58.152
bonds (distance) P-C4' energy: -61.148
flat angles C4'-P-C4' energy: -68.738
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -46.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -639.277087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.277087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.277087 (E_RNA)
where:
Base-Base interactions energy: -387.586
where: short stacking energy: -176.436
Base-Backbone interact. energy: -1.524
local terms energy: -250.167150
where:
bonds (distance) C4'-P energy: -64.451
bonds (distance) P-C4' energy: -58.203
flat angles C4'-P-C4' energy: -61.733
flat angles P-C4'-P energy: -32.765
tors. eta vs tors. theta energy: -33.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -401.482947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.482947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.482947 (E_RNA)
where:
Base-Base interactions energy: -195.391
where: short stacking energy: -90.530
Base-Backbone interact. energy: 4.939
local terms energy: -211.031119
where:
bonds (distance) C4'-P energy: -50.047
bonds (distance) P-C4' energy: -59.091
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -37.870
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -306.882037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.882037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.882037 (E_RNA)
where:
Base-Base interactions energy: -101.623
where: short stacking energy: -83.971
Base-Backbone interact. energy: 0.548
local terms energy: -205.806464
where:
bonds (distance) C4'-P energy: -52.359
bonds (distance) P-C4' energy: -57.933
flat angles C4'-P-C4' energy: -53.282
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: 1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -264.593163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.593163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.593163 (E_RNA)
where:
Base-Base interactions energy: -113.908
where: short stacking energy: -68.768
Base-Backbone interact. energy: 1.402
local terms energy: -152.087662
where:
bonds (distance) C4'-P energy: -48.505
bonds (distance) P-C4' energy: -57.727
flat angles C4'-P-C4' energy: -39.316
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: 21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -256.747782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.747782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.747782 (E_RNA)
where:
Base-Base interactions energy: -98.742
where: short stacking energy: -84.949
Base-Backbone interact. energy: 1.827
local terms energy: -159.832950
where:
bonds (distance) C4'-P energy: -52.978
bonds (distance) P-C4' energy: -56.297
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1085.694438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.694438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.694438 (E_RNA)
where:
Base-Base interactions energy: -720.904
where: short stacking energy: -307.241
Base-Backbone interact. energy: 2.083
local terms energy: -366.873040
where:
bonds (distance) C4'-P energy: -65.985
bonds (distance) P-C4' energy: -68.406
flat angles C4'-P-C4' energy: -74.047
flat angles P-C4'-P energy: -57.059
tors. eta vs tors. theta energy: -101.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1086.734636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.734636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.734636 (E_RNA)
where:
Base-Base interactions energy: -751.162
where: short stacking energy: -279.618
Base-Backbone interact. energy: -2.955
local terms energy: -332.618297
where:
bonds (distance) C4'-P energy: -71.090
bonds (distance) P-C4' energy: -60.803
flat angles C4'-P-C4' energy: -67.384
flat angles P-C4'-P energy: -48.536
tors. eta vs tors. theta energy: -84.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1017.310456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.310456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.310456 (E_RNA)
where:
Base-Base interactions energy: -653.864
where: short stacking energy: -284.298
Base-Backbone interact. energy: 0.552
local terms energy: -363.998435
where:
bonds (distance) C4'-P energy: -74.118
bonds (distance) P-C4' energy: -71.200
flat angles C4'-P-C4' energy: -73.006
flat angles P-C4'-P energy: -46.439
tors. eta vs tors. theta energy: -99.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -910.022897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.022897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.022897 (E_RNA)
where:
Base-Base interactions energy: -586.528
where: short stacking energy: -285.372
Base-Backbone interact. energy: -0.406
local terms energy: -323.089100
where:
bonds (distance) C4'-P energy: -57.911
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -69.770
flat angles P-C4'-P energy: -48.930
tors. eta vs tors. theta energy: -87.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -761.159276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.159276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.159276 (E_RNA)
where:
Base-Base interactions energy: -483.435
where: short stacking energy: -224.877
Base-Backbone interact. energy: -0.213
local terms energy: -277.511206
where:
bonds (distance) C4'-P energy: -51.924
bonds (distance) P-C4' energy: -68.238
flat angles C4'-P-C4' energy: -50.704
flat angles P-C4'-P energy: -45.113
tors. eta vs tors. theta energy: -61.532
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: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -646.981912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.981912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.981912 (E_RNA)
where:
Base-Base interactions energy: -410.435
where: short stacking energy: -180.059
Base-Backbone interact. energy: -0.708
local terms energy: -236.119452
where:
bonds (distance) C4'-P energy: -68.640
bonds (distance) P-C4' energy: -37.060
flat angles C4'-P-C4' energy: -52.332
flat angles P-C4'-P energy: -35.825
tors. eta vs tors. theta energy: -42.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.280 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -392.168404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.168404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.168404 (E_RNA)
where:
Base-Base interactions energy: -172.647
where: short stacking energy: -114.402
Base-Backbone interact. energy: 0.627
local terms energy: -220.147538
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -45.338
flat angles C4'-P-C4' energy: -63.881
flat angles P-C4'-P energy: -29.833
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -302.665598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.665598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.665598 (E_RNA)
where:
Base-Base interactions energy: -98.340
where: short stacking energy: -78.703
Base-Backbone interact. energy: 4.725
local terms energy: -209.050585
where:
bonds (distance) C4'-P energy: -63.037
bonds (distance) P-C4' energy: -62.709
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -35.048
tors. eta vs tors. theta energy: 5.024
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: 354
Temperature: 1.300000
Total energy: -284.097268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.097268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.097268 (E_RNA)
where:
Base-Base interactions energy: -113.155
where: short stacking energy: -68.527
Base-Backbone interact. energy: 1.017
local terms energy: -171.959001
where:
bonds (distance) C4'-P energy: -41.034
bonds (distance) P-C4' energy: -60.401
flat angles C4'-P-C4' energy: -59.248
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: 15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -241.839596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.839596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.839596 (E_RNA)
where:
Base-Base interactions energy: -68.298
where: short stacking energy: -58.449
Base-Backbone interact. energy: 2.950
local terms energy: -176.491555
where:
bonds (distance) C4'-P energy: -54.765
bonds (distance) P-C4' energy: -67.040
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -30.352
tors. eta vs tors. theta energy: 10.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1067.855515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.855515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.855515 (E_RNA)
where:
Base-Base interactions energy: -723.028
where: short stacking energy: -302.562
Base-Backbone interact. energy: -1.352
local terms energy: -343.475685
where:
bonds (distance) C4'-P energy: -62.818
bonds (distance) P-C4' energy: -66.236
flat angles C4'-P-C4' energy: -79.732
flat angles P-C4'-P energy: -37.361
tors. eta vs tors. theta energy: -97.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1083.731257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.731257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.731257 (E_RNA)
where:
Base-Base interactions energy: -740.680
where: short stacking energy: -287.260
Base-Backbone interact. energy: -2.051
local terms energy: -341.000698
where:
bonds (distance) C4'-P energy: -61.924
bonds (distance) P-C4' energy: -73.381
flat angles C4'-P-C4' energy: -73.242
flat angles P-C4'-P energy: -39.216
tors. eta vs tors. theta energy: -93.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1024.058211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.058211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.058211 (E_RNA)
where:
Base-Base interactions energy: -684.922
where: short stacking energy: -295.711
Base-Backbone interact. energy: 3.236
local terms energy: -342.371689
where:
bonds (distance) C4'-P energy: -68.971
bonds (distance) P-C4' energy: -70.699
flat angles C4'-P-C4' energy: -72.721
flat angles P-C4'-P energy: -38.613
tors. eta vs tors. theta energy: -91.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -921.097043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.097043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.097043 (E_RNA)
where:
Base-Base interactions energy: -600.555
where: short stacking energy: -277.925
Base-Backbone interact. energy: 3.531
local terms energy: -324.073247
where:
bonds (distance) C4'-P energy: -65.691
bonds (distance) P-C4' energy: -62.993
flat angles C4'-P-C4' energy: -65.839
flat angles P-C4'-P energy: -43.986
tors. eta vs tors. theta energy: -85.564
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: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -768.963216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.963216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.963216 (E_RNA)
where:
Base-Base interactions energy: -477.571
where: short stacking energy: -228.964
Base-Backbone interact. energy: -1.174
local terms energy: -290.657750
where:
bonds (distance) C4'-P energy: -55.676
bonds (distance) P-C4' energy: -68.034
flat angles C4'-P-C4' energy: -68.158
flat angles P-C4'-P energy: -33.412
tors. eta vs tors. theta energy: -65.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.439 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -656.028408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.028408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.028408 (E_RNA)
where:
Base-Base interactions energy: -404.417
where: short stacking energy: -184.274
Base-Backbone interact. energy: 0.320
local terms energy: -251.931412
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -58.104
flat angles C4'-P-C4' energy: -56.957
flat angles P-C4'-P energy: -44.958
tors. eta vs tors. theta energy: -42.531
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: 355
Temperature: 1.200000
Total energy: -371.696777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.696777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.696777 (E_RNA)
where:
Base-Base interactions energy: -170.245
where: short stacking energy: -109.723
Base-Backbone interact. energy: 1.846
local terms energy: -203.297820
where:
bonds (distance) C4'-P energy: -53.181
bonds (distance) P-C4' energy: -63.732
flat angles C4'-P-C4' energy: -55.642
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -334.166045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.166045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.166045 (E_RNA)
where:
Base-Base interactions energy: -125.242
where: short stacking energy: -89.619
Base-Backbone interact. energy: 0.038
local terms energy: -208.961346
where:
bonds (distance) C4'-P energy: -55.322
bonds (distance) P-C4' energy: -57.489
flat angles C4'-P-C4' energy: -57.147
flat angles P-C4'-P energy: -35.897
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -281.371103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.371103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.371103 (E_RNA)
where:
Base-Base interactions energy: -100.780
where: short stacking energy: -64.770
Base-Backbone interact. energy: -1.503
local terms energy: -181.308907
where:
bonds (distance) C4'-P energy: -59.069
bonds (distance) P-C4' energy: -49.455
flat angles C4'-P-C4' energy: -51.672
flat angles P-C4'-P energy: -29.244
tors. eta vs tors. theta energy: 8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.221 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -257.951354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.951354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.951354 (E_RNA)
where:
Base-Base interactions energy: -81.710
where: short stacking energy: -63.235
Base-Backbone interact. energy: 3.005
local terms energy: -179.246011
where:
bonds (distance) C4'-P energy: -60.119
bonds (distance) P-C4' energy: -56.336
flat angles C4'-P-C4' energy: -47.996
flat angles P-C4'-P energy: -33.091
tors. eta vs tors. theta energy: 18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1102.413844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.413844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.413844 (E_RNA)
where:
Base-Base interactions energy: -748.010
where: short stacking energy: -290.467
Base-Backbone interact. energy: -1.341
local terms energy: -353.063338
where:
bonds (distance) C4'-P energy: -75.754
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -65.001
flat angles P-C4'-P energy: -53.068
tors. eta vs tors. theta energy: -95.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1042.998305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.998305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.998305 (E_RNA)
where:
Base-Base interactions energy: -699.723
where: short stacking energy: -292.704
Base-Backbone interact. energy: -0.657
local terms energy: -342.618031
where:
bonds (distance) C4'-P energy: -58.804
bonds (distance) P-C4' energy: -73.455
flat angles C4'-P-C4' energy: -71.664
flat angles P-C4'-P energy: -53.241
tors. eta vs tors. theta energy: -85.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1018.700753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.700753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.700753 (E_RNA)
where:
Base-Base interactions energy: -662.690
where: short stacking energy: -291.941
Base-Backbone interact. energy: 0.844
local terms energy: -356.855666
where:
bonds (distance) C4'-P energy: -70.586
bonds (distance) P-C4' energy: -68.640
flat angles C4'-P-C4' energy: -74.147
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -98.528
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: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -903.612345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.612345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.612345 (E_RNA)
where:
Base-Base interactions energy: -566.846
where: short stacking energy: -269.034
Base-Backbone interact. energy: -0.681
local terms energy: -336.085232
where:
bonds (distance) C4'-P energy: -62.028
bonds (distance) P-C4' energy: -68.114
flat angles C4'-P-C4' energy: -72.210
flat angles P-C4'-P energy: -49.158
tors. eta vs tors. theta energy: -84.576
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: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -722.945255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.945255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.945255 (E_RNA)
where:
Base-Base interactions energy: -444.044
where: short stacking energy: -200.480
Base-Backbone interact. energy: -0.009
local terms energy: -278.892344
where:
bonds (distance) C4'-P energy: -59.912
bonds (distance) P-C4' energy: -64.637
flat angles C4'-P-C4' energy: -62.704
flat angles P-C4'-P energy: -31.118
tors. eta vs tors. theta energy: -60.521
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: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -585.584616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.584616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.584616 (E_RNA)
where:
Base-Base interactions energy: -341.675
where: short stacking energy: -170.098
Base-Backbone interact. energy: -1.400
local terms energy: -242.509568
where:
bonds (distance) C4'-P energy: -47.261
bonds (distance) P-C4' energy: -70.591
flat angles C4'-P-C4' energy: -64.991
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -363.228223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.228223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.228223 (E_RNA)
where:
Base-Base interactions energy: -148.795
where: short stacking energy: -100.723
Base-Backbone interact. energy: -1.031
local terms energy: -213.402569
where:
bonds (distance) C4'-P energy: -58.869
bonds (distance) P-C4' energy: -58.062
flat angles C4'-P-C4' energy: -62.992
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: 2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -311.441626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.441626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.441626 (E_RNA)
where:
Base-Base interactions energy: -146.591
where: short stacking energy: -86.066
Base-Backbone interact. energy: -2.823
local terms energy: -162.028296
where:
bonds (distance) C4'-P energy: -50.930
bonds (distance) P-C4' energy: -64.121
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: 7.135
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: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -282.794072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.794072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.794072 (E_RNA)
where:
Base-Base interactions energy: -90.108
where: short stacking energy: -48.134
Base-Backbone interact. energy: 0.030
local terms energy: -192.716660
where:
bonds (distance) C4'-P energy: -65.719
bonds (distance) P-C4' energy: -59.866
flat angles C4'-P-C4' energy: -49.673
flat angles P-C4'-P energy: -32.544
tors. eta vs tors. theta energy: 15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -266.745304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.745304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.745304 (E_RNA)
where:
Base-Base interactions energy: -90.681
where: short stacking energy: -66.459
Base-Backbone interact. energy: 4.125
local terms energy: -180.190026
where:
bonds (distance) C4'-P energy: -57.044
bonds (distance) P-C4' energy: -62.210
flat angles C4'-P-C4' energy: -51.883
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: 14.452
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: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1115.672499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.672499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.672499 (E_RNA)
where:
Base-Base interactions energy: -770.678
where: short stacking energy: -298.435
Base-Backbone interact. energy: -0.764
local terms energy: -344.229713
where:
bonds (distance) C4'-P energy: -62.346
bonds (distance) P-C4' energy: -68.542
flat angles C4'-P-C4' energy: -73.788
flat angles P-C4'-P energy: -43.645
tors. eta vs tors. theta energy: -95.908
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: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1044.153785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.153785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.153785 (E_RNA)
where:
Base-Base interactions energy: -710.015
where: short stacking energy: -307.113
Base-Backbone interact. energy: 1.281
local terms energy: -335.419550
where:
bonds (distance) C4'-P energy: -56.172
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -73.613
flat angles P-C4'-P energy: -55.097
tors. eta vs tors. theta energy: -87.006
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: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1017.547930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.547930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.547930 (E_RNA)
where:
Base-Base interactions energy: -675.843
where: short stacking energy: -308.414
Base-Backbone interact. energy: -1.316
local terms energy: -340.387953
where:
bonds (distance) C4'-P energy: -50.617
bonds (distance) P-C4' energy: -60.691
flat angles C4'-P-C4' energy: -76.191
flat angles P-C4'-P energy: -46.799
tors. eta vs tors. theta energy: -106.089
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: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -907.703167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.703167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.703167 (E_RNA)
where:
Base-Base interactions energy: -592.120
where: short stacking energy: -271.442
Base-Backbone interact. energy: -0.273
local terms energy: -315.813905
where:
bonds (distance) C4'-P energy: -58.949
bonds (distance) P-C4' energy: -67.565
flat angles C4'-P-C4' energy: -64.811
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -82.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.503 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -703.497356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.497356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.497356 (E_RNA)
where:
Base-Base interactions energy: -413.539
where: short stacking energy: -172.860
Base-Backbone interact. energy: -0.085
local terms energy: -289.872971
where:
bonds (distance) C4'-P energy: -67.513
bonds (distance) P-C4' energy: -76.090
flat angles C4'-P-C4' energy: -68.759
flat angles P-C4'-P energy: -44.785
tors. eta vs tors. theta energy: -32.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -523.921411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.921411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.921411 (E_RNA)
where:
Base-Base interactions energy: -288.155
where: short stacking energy: -133.189
Base-Backbone interact. energy: 2.613
local terms energy: -238.499795
where:
bonds (distance) C4'-P energy: -63.947
bonds (distance) P-C4' energy: -59.119
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -32.919
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.120 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -312.841466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.841466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.841466 (E_RNA)
where:
Base-Base interactions energy: -106.845
where: short stacking energy: -65.534
Base-Backbone interact. energy: 0.210
local terms energy: -206.205990
where:
bonds (distance) C4'-P energy: -52.942
bonds (distance) P-C4' energy: -68.499
flat angles C4'-P-C4' energy: -54.916
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -309.448807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.448807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.448807 (E_RNA)
where:
Base-Base interactions energy: -115.252
where: short stacking energy: -87.507
Base-Backbone interact. energy: -2.037
local terms energy: -192.159600
where:
bonds (distance) C4'-P energy: -59.221
bonds (distance) P-C4' energy: -57.249
flat angles C4'-P-C4' energy: -48.718
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: 0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -273.581585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.581585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.581585 (E_RNA)
where:
Base-Base interactions energy: -99.923
where: short stacking energy: -78.413
Base-Backbone interact. energy: 1.170
local terms energy: -174.828503
where:
bonds (distance) C4'-P energy: -44.218
bonds (distance) P-C4' energy: -66.619
flat angles C4'-P-C4' energy: -40.311
flat angles P-C4'-P energy: -29.532
tors. eta vs tors. theta energy: 5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -247.519704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.519704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.519704 (E_RNA)
where:
Base-Base interactions energy: -82.446
where: short stacking energy: -75.639
Base-Backbone interact. energy: -2.393
local terms energy: -162.680346
where:
bonds (distance) C4'-P energy: -51.209
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: 7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1109.542462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.542462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.542462 (E_RNA)
where:
Base-Base interactions energy: -751.589
where: short stacking energy: -295.079
Base-Backbone interact. energy: -1.558
local terms energy: -356.395584
where:
bonds (distance) C4'-P energy: -70.436
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -75.830
flat angles P-C4'-P energy: -48.117
tors. eta vs tors. theta energy: -97.950
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: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1027.960569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.960569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.960569 (E_RNA)
where:
Base-Base interactions energy: -686.743
where: short stacking energy: -290.492
Base-Backbone interact. energy: -1.302
local terms energy: -339.915876
where:
bonds (distance) C4'-P energy: -55.832
bonds (distance) P-C4' energy: -76.078
flat angles C4'-P-C4' energy: -77.171
flat angles P-C4'-P energy: -39.017
tors. eta vs tors. theta energy: -91.817
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: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1022.801997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.801997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.801997 (E_RNA)
where:
Base-Base interactions energy: -672.522
where: short stacking energy: -303.671
Base-Backbone interact. energy: -0.018
local terms energy: -350.262296
where:
bonds (distance) C4'-P energy: -61.757
bonds (distance) P-C4' energy: -65.975
flat angles C4'-P-C4' energy: -73.213
flat angles P-C4'-P energy: -51.384
tors. eta vs tors. theta energy: -97.933
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: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -900.436301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.436301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.436301 (E_RNA)
where:
Base-Base interactions energy: -581.969
where: short stacking energy: -250.098
Base-Backbone interact. energy: -0.760
local terms energy: -317.707874
where:
bonds (distance) C4'-P energy: -60.406
bonds (distance) P-C4' energy: -61.514
flat angles C4'-P-C4' energy: -65.025
flat angles P-C4'-P energy: -50.258
tors. eta vs tors. theta energy: -80.505
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: 358
Temperature: 1.100000
Total energy: -724.228118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.228118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.228118 (E_RNA)
where:
Base-Base interactions energy: -442.904
where: short stacking energy: -186.899
Base-Backbone interact. energy: -2.010
local terms energy: -279.314241
where:
bonds (distance) C4'-P energy: -55.579
bonds (distance) P-C4' energy: -61.478
flat angles C4'-P-C4' energy: -59.709
flat angles P-C4'-P energy: -48.231
tors. eta vs tors. theta energy: -54.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -532.014096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.014096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.014096 (E_RNA)
where:
Base-Base interactions energy: -283.939
where: short stacking energy: -144.621
Base-Backbone interact. energy: -1.855
local terms energy: -246.219781
where:
bonds (distance) C4'-P energy: -55.063
bonds (distance) P-C4' energy: -53.286
flat angles C4'-P-C4' energy: -51.888
flat angles P-C4'-P energy: -54.880
tors. eta vs tors. theta energy: -31.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -381.798610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.798610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.798610 (E_RNA)
where:
Base-Base interactions energy: -169.258
where: short stacking energy: -102.489
Base-Backbone interact. energy: 3.698
local terms energy: -216.238017
where:
bonds (distance) C4'-P energy: -62.145
bonds (distance) P-C4' energy: -63.396
flat angles C4'-P-C4' energy: -56.868
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -298.597742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.597742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.597742 (E_RNA)
where:
Base-Base interactions energy: -95.892
where: short stacking energy: -83.261
Base-Backbone interact. energy: 4.043
local terms energy: -206.748703
where:
bonds (distance) C4'-P energy: -62.371
bonds (distance) P-C4' energy: -62.248
flat angles C4'-P-C4' energy: -53.613
flat angles P-C4'-P energy: -27.022
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -279.735094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.735094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.735094 (E_RNA)
where:
Base-Base interactions energy: -87.041
where: short stacking energy: -61.709
Base-Backbone interact. energy: 1.957
local terms energy: -195.298912
where:
bonds (distance) C4'-P energy: -62.013
bonds (distance) P-C4' energy: -68.368
flat angles C4'-P-C4' energy: -48.350
flat angles P-C4'-P energy: -28.870
tors. eta vs tors. theta energy: 12.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.647 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -252.854598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.854598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.854598 (E_RNA)
where:
Base-Base interactions energy: -72.732
where: short stacking energy: -56.162
Base-Backbone interact. energy: -1.137
local terms energy: -178.985963
where:
bonds (distance) C4'-P energy: -57.456
bonds (distance) P-C4' energy: -58.298
flat angles C4'-P-C4' energy: -42.322
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: 6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1124.756460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.756460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.756460 (E_RNA)
where:
Base-Base interactions energy: -775.033
where: short stacking energy: -307.224
Base-Backbone interact. energy: -2.498
local terms energy: -347.225207
where:
bonds (distance) C4'-P energy: -74.280
bonds (distance) P-C4' energy: -67.425
flat angles C4'-P-C4' energy: -70.937
flat angles P-C4'-P energy: -43.284
tors. eta vs tors. theta energy: -91.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1048.136158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.136158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.136158 (E_RNA)
where:
Base-Base interactions energy: -686.488
where: short stacking energy: -298.775
Base-Backbone interact. energy: -1.462
local terms energy: -360.185725
where:
bonds (distance) C4'-P energy: -65.705
bonds (distance) P-C4' energy: -72.059
flat angles C4'-P-C4' energy: -71.614
flat angles P-C4'-P energy: -51.549
tors. eta vs tors. theta energy: -99.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -981.636261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.636261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.636261 (E_RNA)
where:
Base-Base interactions energy: -651.373
where: short stacking energy: -267.487
Base-Backbone interact. energy: -0.693
local terms energy: -329.570284
where:
bonds (distance) C4'-P energy: -58.025
bonds (distance) P-C4' energy: -61.005
flat angles C4'-P-C4' energy: -74.113
flat angles P-C4'-P energy: -51.194
tors. eta vs tors. theta energy: -85.233
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: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -897.007027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.007027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.007027 (E_RNA)
where:
Base-Base interactions energy: -570.294
where: short stacking energy: -254.766
Base-Backbone interact. energy: -0.472
local terms energy: -326.241074
where:
bonds (distance) C4'-P energy: -66.003
bonds (distance) P-C4' energy: -75.449
flat angles C4'-P-C4' energy: -65.100
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: -77.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -746.099335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.099335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.099335 (E_RNA)
where:
Base-Base interactions energy: -470.032
where: short stacking energy: -185.162
Base-Backbone interact. energy: -2.845
local terms energy: -273.222146
where:
bonds (distance) C4'-P energy: -61.849
bonds (distance) P-C4' energy: -74.653
flat angles C4'-P-C4' energy: -63.226
flat angles P-C4'-P energy: -36.032
tors. eta vs tors. theta energy: -37.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -532.262668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.262668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.262668 (E_RNA)
where:
Base-Base interactions energy: -274.967
where: short stacking energy: -141.033
Base-Backbone interact. energy: -1.403
local terms energy: -255.892295
where:
bonds (distance) C4'-P energy: -65.577
bonds (distance) P-C4' energy: -56.985
flat angles C4'-P-C4' energy: -60.066
flat angles P-C4'-P energy: -45.624
tors. eta vs tors. theta energy: -27.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -345.753115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.753115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.753115 (E_RNA)
where:
Base-Base interactions energy: -125.630
where: short stacking energy: -87.025
Base-Backbone interact. energy: -1.386
local terms energy: -218.736419
where:
bonds (distance) C4'-P energy: -51.189
bonds (distance) P-C4' energy: -57.392
flat angles C4'-P-C4' energy: -66.969
flat angles P-C4'-P energy: -37.790
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: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -304.877723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.877723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.877723 (E_RNA)
where:
Base-Base interactions energy: -116.693
where: short stacking energy: -87.564
Base-Backbone interact. energy: 1.377
local terms energy: -189.562018
where:
bonds (distance) C4'-P energy: -57.752
bonds (distance) P-C4' energy: -65.749
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -34.831
tors. eta vs tors. theta energy: 1.619
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: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -269.741287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.741287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.741287 (E_RNA)
where:
Base-Base interactions energy: -105.284
where: short stacking energy: -72.791
Base-Backbone interact. energy: -1.008
local terms energy: -163.449398
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -50.630
flat angles C4'-P-C4' energy: -43.299
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: 11.181
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: 359
Temperature: 1.350000
Total energy: -259.613075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.613075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.613075 (E_RNA)
where:
Base-Base interactions energy: -94.584
where: short stacking energy: -45.970
Base-Backbone interact. energy: -2.659
local terms energy: -162.370658
where:
bonds (distance) C4'-P energy: -65.804
bonds (distance) P-C4' energy: -55.537
flat angles C4'-P-C4' energy: -48.498
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: 19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1115.108840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.108840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.108840 (E_RNA)
where:
Base-Base interactions energy: -765.886
where: short stacking energy: -284.230
Base-Backbone interact. energy: -0.565
local terms energy: -348.657760
where:
bonds (distance) C4'-P energy: -66.249
bonds (distance) P-C4' energy: -72.832
flat angles C4'-P-C4' energy: -77.422
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -101.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1083.560849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.560849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.560849 (E_RNA)
where:
Base-Base interactions energy: -703.139
where: short stacking energy: -309.077
Base-Backbone interact. energy: -1.032
local terms energy: -379.389981
where:
bonds (distance) C4'-P energy: -70.245
bonds (distance) P-C4' energy: -72.251
flat angles C4'-P-C4' energy: -78.357
flat angles P-C4'-P energy: -50.285
tors. eta vs tors. theta energy: -108.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1003.725550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.725550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.725550 (E_RNA)
where:
Base-Base interactions energy: -670.857
where: short stacking energy: -293.578
Base-Backbone interact. energy: -0.437
local terms energy: -332.431299
where:
bonds (distance) C4'-P energy: -55.941
bonds (distance) P-C4' energy: -72.997
flat angles C4'-P-C4' energy: -77.826
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: -80.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -921.676302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.676302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.676302 (E_RNA)
where:
Base-Base interactions energy: -600.326
where: short stacking energy: -259.743
Base-Backbone interact. energy: 0.149
local terms energy: -321.499235
where:
bonds (distance) C4'-P energy: -65.002
bonds (distance) P-C4' energy: -56.235
flat angles C4'-P-C4' energy: -68.418
flat angles P-C4'-P energy: -44.153
tors. eta vs tors. theta energy: -87.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -717.292578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.292578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.292578 (E_RNA)
where:
Base-Base interactions energy: -445.279
where: short stacking energy: -199.373
Base-Backbone interact. energy: -0.765
local terms energy: -271.248751
where:
bonds (distance) C4'-P energy: -57.714
bonds (distance) P-C4' energy: -59.629
flat angles C4'-P-C4' energy: -53.323
flat angles P-C4'-P energy: -48.391
tors. eta vs tors. theta energy: -52.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -510.016557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.016557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.016557 (E_RNA)
where:
Base-Base interactions energy: -264.470
where: short stacking energy: -140.542
Base-Backbone interact. energy: -0.174
local terms energy: -246.823800
where:
bonds (distance) C4'-P energy: -55.120
bonds (distance) P-C4' energy: -61.469
flat angles C4'-P-C4' energy: -61.852
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.451 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -341.080038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.080038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.080038 (E_RNA)
where:
Base-Base interactions energy: -133.305
where: short stacking energy: -94.224
Base-Backbone interact. energy: -1.365
local terms energy: -206.410575
where:
bonds (distance) C4'-P energy: -57.770
bonds (distance) P-C4' energy: -54.229
flat angles C4'-P-C4' energy: -60.625
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -1.376
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: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -352.430516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.430516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.430516 (E_RNA)
where:
Base-Base interactions energy: -118.609
where: short stacking energy: -98.058
Base-Backbone interact. energy: 1.783
local terms energy: -235.603881
where:
bonds (distance) C4'-P energy: -59.941
bonds (distance) P-C4' energy: -69.170
flat angles C4'-P-C4' energy: -60.226
flat angles P-C4'-P energy: -35.271
tors. eta vs tors. theta energy: -10.997
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: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -275.315916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.315916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.315916 (E_RNA)
where:
Base-Base interactions energy: -91.693
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.908
local terms energy: -182.715186
where:
bonds (distance) C4'-P energy: -51.202
bonds (distance) P-C4' energy: -61.917
flat angles C4'-P-C4' energy: -43.985
flat angles P-C4'-P energy: -27.838
tors. eta vs tors. theta energy: 2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -257.231079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.231079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.231079 (E_RNA)
where:
Base-Base interactions energy: -88.958
where: short stacking energy: -77.133
Base-Backbone interact. energy: 6.127
local terms energy: -174.400632
where:
bonds (distance) C4'-P energy: -62.483
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -40.574
flat angles P-C4'-P energy: -27.230
tors. eta vs tors. theta energy: 14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1109.773071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.773071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.773071 (E_RNA)
where:
Base-Base interactions energy: -763.364
where: short stacking energy: -296.298
Base-Backbone interact. energy: -2.962
local terms energy: -343.447056
where:
bonds (distance) C4'-P energy: -56.762
bonds (distance) P-C4' energy: -68.770
flat angles C4'-P-C4' energy: -72.054
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: -98.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1056.379946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.379946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.379946 (E_RNA)
where:
Base-Base interactions energy: -693.651
where: short stacking energy: -299.518
Base-Backbone interact. energy: 0.116
local terms energy: -362.844312
where:
bonds (distance) C4'-P energy: -72.492
bonds (distance) P-C4' energy: -62.153
flat angles C4'-P-C4' energy: -72.492
flat angles P-C4'-P energy: -49.943
tors. eta vs tors. theta energy: -105.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1022.750795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.750795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.750795 (E_RNA)
where:
Base-Base interactions energy: -683.475
where: short stacking energy: -271.471
Base-Backbone interact. energy: -1.259
local terms energy: -338.016836
where:
bonds (distance) C4'-P energy: -59.130
bonds (distance) P-C4' energy: -74.863
flat angles C4'-P-C4' energy: -65.163
flat angles P-C4'-P energy: -51.100
tors. eta vs tors. theta energy: -87.761
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: 361
Temperature: 1.050000
Total energy: -939.193992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.193992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.193992 (E_RNA)
where:
Base-Base interactions energy: -606.406
where: short stacking energy: -261.009
Base-Backbone interact. energy: -0.247
local terms energy: -332.541255
where:
bonds (distance) C4'-P energy: -56.563
bonds (distance) P-C4' energy: -67.292
flat angles C4'-P-C4' energy: -79.393
flat angles P-C4'-P energy: -49.617
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: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -713.294355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.294355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.294355 (E_RNA)
where:
Base-Base interactions energy: -445.134
where: short stacking energy: -192.590
Base-Backbone interact. energy: 0.215
local terms energy: -268.375660
where:
bonds (distance) C4'-P energy: -48.594
bonds (distance) P-C4' energy: -68.051
flat angles C4'-P-C4' energy: -61.942
flat angles P-C4'-P energy: -36.655
tors. eta vs tors. theta energy: -53.133
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: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -474.207042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.207042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.207042 (E_RNA)
where:
Base-Base interactions energy: -225.494
where: short stacking energy: -130.915
Base-Backbone interact. energy: -0.921
local terms energy: -247.792675
where:
bonds (distance) C4'-P energy: -57.973
bonds (distance) P-C4' energy: -66.083
flat angles C4'-P-C4' energy: -55.139
flat angles P-C4'-P energy: -47.287
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -340.460958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.460958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.460958 (E_RNA)
where:
Base-Base interactions energy: -144.504
where: short stacking energy: -91.649
Base-Backbone interact. energy: 0.892
local terms energy: -196.849057
where:
bonds (distance) C4'-P energy: -55.065
bonds (distance) P-C4' energy: -62.732
flat angles C4'-P-C4' energy: -54.188
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: 6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -294.802774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.802774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.802774 (E_RNA)
where:
Base-Base interactions energy: -105.756
where: short stacking energy: -75.731
Base-Backbone interact. energy: -1.373
local terms energy: -187.674323
where:
bonds (distance) C4'-P energy: -54.015
bonds (distance) P-C4' energy: -48.199
flat angles C4'-P-C4' energy: -52.330
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -289.069024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.069024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.069024 (E_RNA)
where:
Base-Base interactions energy: -90.795
where: short stacking energy: -65.920
Base-Backbone interact. energy: -1.529
local terms energy: -196.745093
where:
bonds (distance) C4'-P energy: -52.898
bonds (distance) P-C4' energy: -66.071
flat angles C4'-P-C4' energy: -45.888
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: 0.792
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: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -250.856336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.856336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.856336 (E_RNA)
where:
Base-Base interactions energy: -54.681
where: short stacking energy: -42.051
Base-Backbone interact. energy: -1.400
local terms energy: -194.775087
where:
bonds (distance) C4'-P energy: -60.925
bonds (distance) P-C4' energy: -63.287
flat angles C4'-P-C4' energy: -53.235
flat angles P-C4'-P energy: -29.763
tors. eta vs tors. theta energy: 12.434
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: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1117.011445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.011445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.011445 (E_RNA)
where:
Base-Base interactions energy: -760.526
where: short stacking energy: -304.493
Base-Backbone interact. energy: -0.830
local terms energy: -355.655854
where:
bonds (distance) C4'-P energy: -61.520
bonds (distance) P-C4' energy: -68.759
flat angles C4'-P-C4' energy: -79.537
flat angles P-C4'-P energy: -45.494
tors. eta vs tors. theta energy: -100.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1052.314309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.314309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.314309 (E_RNA)
where:
Base-Base interactions energy: -689.107
where: short stacking energy: -299.820
Base-Backbone interact. energy: -0.099
local terms energy: -363.107752
where:
bonds (distance) C4'-P energy: -61.681
bonds (distance) P-C4' energy: -75.178
flat angles C4'-P-C4' energy: -72.348
flat angles P-C4'-P energy: -51.100
tors. eta vs tors. theta energy: -102.800
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: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1004.880175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.880175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.880175 (E_RNA)
where:
Base-Base interactions energy: -669.941
where: short stacking energy: -281.783
Base-Backbone interact. energy: -0.194
local terms energy: -334.745765
where:
bonds (distance) C4'-P energy: -68.244
bonds (distance) P-C4' energy: -67.492
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -48.422
tors. eta vs tors. theta energy: -81.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -917.068117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.068117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.068117 (E_RNA)
where:
Base-Base interactions energy: -586.135
where: short stacking energy: -253.843
Base-Backbone interact. energy: -0.823
local terms energy: -330.110143
where:
bonds (distance) C4'-P energy: -62.517
bonds (distance) P-C4' energy: -66.760
flat angles C4'-P-C4' energy: -72.970
flat angles P-C4'-P energy: -42.240
tors. eta vs tors. theta energy: -85.622
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: 362
Temperature: 1.100000
Total energy: -682.921722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.921722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.921722 (E_RNA)
where:
Base-Base interactions energy: -440.737
where: short stacking energy: -161.956
Base-Backbone interact. energy: 2.023
local terms energy: -244.207722
where:
bonds (distance) C4'-P energy: -58.662
bonds (distance) P-C4' energy: -61.571
flat angles C4'-P-C4' energy: -44.248
flat angles P-C4'-P energy: -37.398
tors. eta vs tors. theta energy: -42.329
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: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -486.574533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.574533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.574533 (E_RNA)
where:
Base-Base interactions energy: -251.362
where: short stacking energy: -138.182
Base-Backbone interact. energy: -0.661
local terms energy: -234.552087
where:
bonds (distance) C4'-P energy: -67.276
bonds (distance) P-C4' energy: -61.531
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -35.772
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -374.793399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.793399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.793399 (E_RNA)
where:
Base-Base interactions energy: -171.577
where: short stacking energy: -98.494
Base-Backbone interact. energy: -1.770
local terms energy: -201.446734
where:
bonds (distance) C4'-P energy: -53.071
bonds (distance) P-C4' energy: -57.804
flat angles C4'-P-C4' energy: -57.237
flat angles P-C4'-P energy: -27.238
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -300.795059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.795059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.795059 (E_RNA)
where:
Base-Base interactions energy: -103.616
where: short stacking energy: -73.308
Base-Backbone interact. energy: -0.001
local terms energy: -197.178770
where:
bonds (distance) C4'-P energy: -55.278
bonds (distance) P-C4' energy: -63.387
flat angles C4'-P-C4' energy: -49.706
flat angles P-C4'-P energy: -34.947
tors. eta vs tors. theta energy: 6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -286.959572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.959572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.959572 (E_RNA)
where:
Base-Base interactions energy: -103.796
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.877
local terms energy: -182.286530
where:
bonds (distance) C4'-P energy: -46.208
bonds (distance) P-C4' energy: -51.737
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -36.205
tors. eta vs tors. theta energy: 14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -254.570523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.570523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.570523 (E_RNA)
where:
Base-Base interactions energy: -73.098
where: short stacking energy: -69.516
Base-Backbone interact. energy: 0.147
local terms energy: -181.618882
where:
bonds (distance) C4'-P energy: -52.591
bonds (distance) P-C4' energy: -64.808
flat angles C4'-P-C4' energy: -49.262
flat angles P-C4'-P energy: -31.506
tors. eta vs tors. theta energy: 16.548
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: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1113.554758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.554758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.554758 (E_RNA)
where:
Base-Base interactions energy: -772.817
where: short stacking energy: -292.922
Base-Backbone interact. energy: -1.409
local terms energy: -339.328695
where:
bonds (distance) C4'-P energy: -71.903
bonds (distance) P-C4' energy: -56.556
flat angles C4'-P-C4' energy: -71.461
flat angles P-C4'-P energy: -44.586
tors. eta vs tors. theta energy: -94.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1049.051297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.051297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.051297 (E_RNA)
where:
Base-Base interactions energy: -688.588
where: short stacking energy: -317.495
Base-Backbone interact. energy: -0.350
local terms energy: -360.113140
where:
bonds (distance) C4'-P energy: -58.282
bonds (distance) P-C4' energy: -63.624
flat angles C4'-P-C4' energy: -78.663
flat angles P-C4'-P energy: -48.677
tors. eta vs tors. theta energy: -110.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1011.035694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.035694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.035694 (E_RNA)
where:
Base-Base interactions energy: -681.709
where: short stacking energy: -278.797
Base-Backbone interact. energy: -0.037
local terms energy: -329.289904
where:
bonds (distance) C4'-P energy: -53.996
bonds (distance) P-C4' energy: -67.618
flat angles C4'-P-C4' energy: -62.948
flat angles P-C4'-P energy: -58.087
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: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -937.369149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.369149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.369149 (E_RNA)
where:
Base-Base interactions energy: -608.412
where: short stacking energy: -254.679
Base-Backbone interact. energy: -1.288
local terms energy: -327.669047
where:
bonds (distance) C4'-P energy: -58.370
bonds (distance) P-C4' energy: -73.552
flat angles C4'-P-C4' energy: -72.352
flat angles P-C4'-P energy: -45.474
tors. eta vs tors. theta energy: -77.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -733.140317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.140317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.140317 (E_RNA)
where:
Base-Base interactions energy: -455.484
where: short stacking energy: -189.392
Base-Backbone interact. energy: 1.672
local terms energy: -279.328636
where:
bonds (distance) C4'-P energy: -62.743
bonds (distance) P-C4' energy: -60.054
flat angles C4'-P-C4' energy: -63.971
flat angles P-C4'-P energy: -39.766
tors. eta vs tors. theta energy: -52.794
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: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -453.423707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.423707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.423707 (E_RNA)
where:
Base-Base interactions energy: -233.742
where: short stacking energy: -141.596
Base-Backbone interact. energy: -2.154
local terms energy: -217.527834
where:
bonds (distance) C4'-P energy: -62.602
bonds (distance) P-C4' energy: -57.720
flat angles C4'-P-C4' energy: -45.159
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -27.485
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: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -375.719307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.719307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.719307 (E_RNA)
where:
Base-Base interactions energy: -171.443
where: short stacking energy: -108.775
Base-Backbone interact. energy: 2.054
local terms energy: -206.331133
where:
bonds (distance) C4'-P energy: -57.682
bonds (distance) P-C4' energy: -64.692
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -32.256
tors. eta vs tors. theta energy: 0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -326.548718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.548718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.548718 (E_RNA)
where:
Base-Base interactions energy: -127.489
where: short stacking energy: -83.199
Base-Backbone interact. energy: 1.566
local terms energy: -200.626310
where:
bonds (distance) C4'-P energy: -53.462
bonds (distance) P-C4' energy: -63.931
flat angles C4'-P-C4' energy: -48.562
flat angles P-C4'-P energy: -33.551
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -284.114625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.114625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.114625 (E_RNA)
where:
Base-Base interactions energy: -99.611
where: short stacking energy: -78.747
Base-Backbone interact. energy: -1.520
local terms energy: -182.983416
where:
bonds (distance) C4'-P energy: -47.378
bonds (distance) P-C4' energy: -49.712
flat angles C4'-P-C4' energy: -51.721
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: 10.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -252.771858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.771858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.771858 (E_RNA)
where:
Base-Base interactions energy: -86.055
where: short stacking energy: -63.196
Base-Backbone interact. energy: 1.440
local terms energy: -168.157421
where:
bonds (distance) C4'-P energy: -55.062
bonds (distance) P-C4' energy: -62.827
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -34.422
tors. eta vs tors. theta energy: 11.763
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: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1113.889959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.889959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.889959 (E_RNA)
where:
Base-Base interactions energy: -760.861
where: short stacking energy: -288.492
Base-Backbone interact. energy: -2.683
local terms energy: -350.346058
where:
bonds (distance) C4'-P energy: -65.442
bonds (distance) P-C4' energy: -76.054
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -37.824
tors. eta vs tors. theta energy: -99.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1065.113598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.113598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.113598 (E_RNA)
where:
Base-Base interactions energy: -702.949
where: short stacking energy: -325.333
Base-Backbone interact. energy: 0.193
local terms energy: -362.357538
where:
bonds (distance) C4'-P energy: -63.818
bonds (distance) P-C4' energy: -65.409
flat angles C4'-P-C4' energy: -73.787
flat angles P-C4'-P energy: -50.842
tors. eta vs tors. theta energy: -108.500
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: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1007.669238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.669238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.669238 (E_RNA)
where:
Base-Base interactions energy: -679.492
where: short stacking energy: -265.436
Base-Backbone interact. energy: -1.961
local terms energy: -326.215795
where:
bonds (distance) C4'-P energy: -58.610
bonds (distance) P-C4' energy: -74.247
flat angles C4'-P-C4' energy: -57.202
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -90.601
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: 364
Temperature: 1.050000
Total energy: -942.377787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.377787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.377787 (E_RNA)
where:
Base-Base interactions energy: -608.623
where: short stacking energy: -278.252
Base-Backbone interact. energy: -0.323
local terms energy: -333.431957
where:
bonds (distance) C4'-P energy: -63.220
bonds (distance) P-C4' energy: -73.363
flat angles C4'-P-C4' energy: -59.901
flat angles P-C4'-P energy: -43.832
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: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -706.007843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.007843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.007843 (E_RNA)
where:
Base-Base interactions energy: -445.109
where: short stacking energy: -192.002
Base-Backbone interact. energy: -2.032
local terms energy: -258.867081
where:
bonds (distance) C4'-P energy: -56.421
bonds (distance) P-C4' energy: -61.662
flat angles C4'-P-C4' energy: -58.641
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -48.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -431.089824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.089824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.089824 (E_RNA)
where:
Base-Base interactions energy: -210.735
where: short stacking energy: -106.769
Base-Backbone interact. energy: -2.467
local terms energy: -217.887043
where:
bonds (distance) C4'-P energy: -64.565
bonds (distance) P-C4' energy: -56.521
flat angles C4'-P-C4' energy: -51.923
flat angles P-C4'-P energy: -42.870
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -364.190831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.190831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.190831 (E_RNA)
where:
Base-Base interactions energy: -162.116
where: short stacking energy: -100.365
Base-Backbone interact. energy: 0.171
local terms energy: -202.246380
where:
bonds (distance) C4'-P energy: -52.959
bonds (distance) P-C4' energy: -72.408
flat angles C4'-P-C4' energy: -39.878
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -7.951
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: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -299.752244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.752244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.752244 (E_RNA)
where:
Base-Base interactions energy: -94.135
where: short stacking energy: -77.918
Base-Backbone interact. energy: -0.125
local terms energy: -206.228059
where:
bonds (distance) C4'-P energy: -62.905
bonds (distance) P-C4' energy: -53.487
flat angles C4'-P-C4' energy: -41.403
flat angles P-C4'-P energy: -38.754
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.736 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -267.029153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.029153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.029153 (E_RNA)
where:
Base-Base interactions energy: -97.310
where: short stacking energy: -62.343
Base-Backbone interact. energy: -1.831
local terms energy: -170.002038
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -62.836
flat angles C4'-P-C4' energy: -45.796
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: 10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.113 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -272.232379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.232379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.232379 (E_RNA)
where:
Base-Base interactions energy: -100.589
where: short stacking energy: -68.356
Base-Backbone interact. energy: 0.405
local terms energy: -172.047960
where:
bonds (distance) C4'-P energy: -53.799
bonds (distance) P-C4' energy: -68.404
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: 12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1114.452847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.452847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.452847 (E_RNA)
where:
Base-Base interactions energy: -767.594
where: short stacking energy: -315.328
Base-Backbone interact. energy: 0.272
local terms energy: -347.130574
where:
bonds (distance) C4'-P energy: -59.096
bonds (distance) P-C4' energy: -60.031
flat angles C4'-P-C4' energy: -78.223
flat angles P-C4'-P energy: -49.774
tors. eta vs tors. theta energy: -100.007
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: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1074.560548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.560548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.560548 (E_RNA)
where:
Base-Base interactions energy: -717.604
where: short stacking energy: -317.628
Base-Backbone interact. energy: -0.269
local terms energy: -356.686925
where:
bonds (distance) C4'-P energy: -65.524
bonds (distance) P-C4' energy: -56.463
flat angles C4'-P-C4' energy: -74.857
flat angles P-C4'-P energy: -52.026
tors. eta vs tors. theta energy: -107.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1015.595936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.595936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.595936 (E_RNA)
where:
Base-Base interactions energy: -678.033
where: short stacking energy: -287.387
Base-Backbone interact. energy: -0.130
local terms energy: -337.432768
where:
bonds (distance) C4'-P energy: -68.737
bonds (distance) P-C4' energy: -68.371
flat angles C4'-P-C4' energy: -70.608
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -86.528
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: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -929.978778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.978778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.978778 (E_RNA)
where:
Base-Base interactions energy: -615.825
where: short stacking energy: -268.268
Base-Backbone interact. energy: -0.034
local terms energy: -314.120437
where:
bonds (distance) C4'-P energy: -59.556
bonds (distance) P-C4' energy: -49.688
flat angles C4'-P-C4' energy: -73.456
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -91.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -718.688075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.688075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.688075 (E_RNA)
where:
Base-Base interactions energy: -457.038
where: short stacking energy: -197.941
Base-Backbone interact. energy: 3.031
local terms energy: -264.680757
where:
bonds (distance) C4'-P energy: -61.890
bonds (distance) P-C4' energy: -54.532
flat angles C4'-P-C4' energy: -66.399
flat angles P-C4'-P energy: -37.157
tors. eta vs tors. theta energy: -44.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -452.702723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.702723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.702723 (E_RNA)
where:
Base-Base interactions energy: -231.524
where: short stacking energy: -136.751
Base-Backbone interact. energy: 1.320
local terms energy: -222.498542
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -53.482
flat angles C4'-P-C4' energy: -49.971
flat angles P-C4'-P energy: -37.350
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -432.059002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.059002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.059002 (E_RNA)
where:
Base-Base interactions energy: -182.230
where: short stacking energy: -105.250
Base-Backbone interact. energy: -1.746
local terms energy: -248.083286
where:
bonds (distance) C4'-P energy: -61.492
bonds (distance) P-C4' energy: -72.420
flat angles C4'-P-C4' energy: -50.399
flat angles P-C4'-P energy: -40.895
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -306.307914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.307914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.307914 (E_RNA)
where:
Base-Base interactions energy: -110.749
where: short stacking energy: -90.149
Base-Backbone interact. energy: -1.404
local terms energy: -194.155068
where:
bonds (distance) C4'-P energy: -47.241
bonds (distance) P-C4' energy: -57.099
flat angles C4'-P-C4' energy: -60.804
flat angles P-C4'-P energy: -24.909
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -277.432844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.432844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.432844 (E_RNA)
where:
Base-Base interactions energy: -102.421
where: short stacking energy: -82.561
Base-Backbone interact. energy: -0.884
local terms energy: -174.270609
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -61.767
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: 11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.143 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -270.156670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.156670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.156670 (E_RNA)
where:
Base-Base interactions energy: -79.812
where: short stacking energy: -46.869
Base-Backbone interact. energy: 0.074
local terms energy: -190.418105
where:
bonds (distance) C4'-P energy: -53.115
bonds (distance) P-C4' energy: -64.156
flat angles C4'-P-C4' energy: -59.601
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: 13.299
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: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1105.956775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.956775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.956775 (E_RNA)
where:
Base-Base interactions energy: -759.166
where: short stacking energy: -313.332
Base-Backbone interact. energy: -2.762
local terms energy: -344.028384
where:
bonds (distance) C4'-P energy: -66.627
bonds (distance) P-C4' energy: -58.260
flat angles C4'-P-C4' energy: -68.893
flat angles P-C4'-P energy: -49.652
tors. eta vs tors. theta energy: -100.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1065.309819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.309819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.309819 (E_RNA)
where:
Base-Base interactions energy: -709.558
where: short stacking energy: -312.500
Base-Backbone interact. energy: -0.080
local terms energy: -355.672475
where:
bonds (distance) C4'-P energy: -63.815
bonds (distance) P-C4' energy: -67.487
flat angles C4'-P-C4' energy: -70.364
flat angles P-C4'-P energy: -53.895
tors. eta vs tors. theta energy: -100.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1002.153865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.153865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.153865 (E_RNA)
where:
Base-Base interactions energy: -670.283
where: short stacking energy: -258.901
Base-Backbone interact. energy: -0.077
local terms energy: -331.793885
where:
bonds (distance) C4'-P energy: -64.810
bonds (distance) P-C4' energy: -67.396
flat angles C4'-P-C4' energy: -69.074
flat angles P-C4'-P energy: -54.457
tors. eta vs tors. theta energy: -76.056
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: 366
Temperature: 1.050000
Total energy: -918.453749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.453749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.453749 (E_RNA)
where:
Base-Base interactions energy: -581.384
where: short stacking energy: -257.415
Base-Backbone interact. energy: -0.586
local terms energy: -336.483740
where:
bonds (distance) C4'-P energy: -74.056
bonds (distance) P-C4' energy: -65.898
flat angles C4'-P-C4' energy: -72.553
flat angles P-C4'-P energy: -46.069
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: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -678.519230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.519230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.519230 (E_RNA)
where:
Base-Base interactions energy: -422.641
where: short stacking energy: -212.971
Base-Backbone interact. energy: -1.489
local terms energy: -256.888941
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -52.961
flat angles C4'-P-C4' energy: -64.351
flat angles P-C4'-P energy: -45.722
tors. eta vs tors. theta energy: -43.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.500 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -512.321989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.321989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.321989 (E_RNA)
where:
Base-Base interactions energy: -293.961
where: short stacking energy: -131.074
Base-Backbone interact. energy: -1.179
local terms energy: -217.182647
where:
bonds (distance) C4'-P energy: -54.145
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -57.320
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -17.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -343.246926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.246926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.246926 (E_RNA)
where:
Base-Base interactions energy: -131.624
where: short stacking energy: -93.532
Base-Backbone interact. energy: 2.189
local terms energy: -213.811557
where:
bonds (distance) C4'-P energy: -51.590
bonds (distance) P-C4' energy: -54.858
flat angles C4'-P-C4' energy: -57.534
flat angles P-C4'-P energy: -46.659
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -308.404903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.404903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.404903 (E_RNA)
where:
Base-Base interactions energy: -104.110
where: short stacking energy: -52.188
Base-Backbone interact. energy: -0.027
local terms energy: -204.267910
where:
bonds (distance) C4'-P energy: -67.513
bonds (distance) P-C4' energy: -62.838
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -41.218
tors. eta vs tors. theta energy: 7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -285.349730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.349730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.349730 (E_RNA)
where:
Base-Base interactions energy: -96.657
where: short stacking energy: -78.444
Base-Backbone interact. energy: 1.087
local terms energy: -189.780065
where:
bonds (distance) C4'-P energy: -39.937
bonds (distance) P-C4' energy: -67.855
flat angles C4'-P-C4' energy: -44.545
flat angles P-C4'-P energy: -29.945
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -258.742573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.742573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.742573 (E_RNA)
where:
Base-Base interactions energy: -86.525
where: short stacking energy: -57.614
Base-Backbone interact. energy: -2.109
local terms energy: -170.109179
where:
bonds (distance) C4'-P energy: -50.179
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -46.747
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: 15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1112.000207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.000207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.000207 (E_RNA)
where:
Base-Base interactions energy: -745.232
where: short stacking energy: -299.530
Base-Backbone interact. energy: -1.669
local terms energy: -365.099232
where:
bonds (distance) C4'-P energy: -70.462
bonds (distance) P-C4' energy: -70.622
flat angles C4'-P-C4' energy: -70.375
flat angles P-C4'-P energy: -49.120
tors. eta vs tors. theta energy: -104.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1047.308706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.308706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.308706 (E_RNA)
where:
Base-Base interactions energy: -681.904
where: short stacking energy: -302.267
Base-Backbone interact. energy: -0.034
local terms energy: -365.370768
where:
bonds (distance) C4'-P energy: -70.042
bonds (distance) P-C4' energy: -62.196
flat angles C4'-P-C4' energy: -75.120
flat angles P-C4'-P energy: -49.844
tors. eta vs tors. theta energy: -108.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1003.706573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.706573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.706573 (E_RNA)
where:
Base-Base interactions energy: -666.154
where: short stacking energy: -264.789
Base-Backbone interact. energy: 0.356
local terms energy: -337.907790
where:
bonds (distance) C4'-P energy: -63.621
bonds (distance) P-C4' energy: -71.712
flat angles C4'-P-C4' energy: -72.534
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -83.772
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -946.311340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.311340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.311340 (E_RNA)
where:
Base-Base interactions energy: -597.960
where: short stacking energy: -265.718
Base-Backbone interact. energy: -1.172
local terms energy: -347.178766
where:
bonds (distance) C4'-P energy: -72.634
bonds (distance) P-C4' energy: -73.179
flat angles C4'-P-C4' energy: -67.956
flat angles P-C4'-P energy: -42.516
tors. eta vs tors. theta energy: -90.894
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: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -661.231831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.231831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.231831 (E_RNA)
where:
Base-Base interactions energy: -387.293
where: short stacking energy: -195.073
Base-Backbone interact. energy: 0.072
local terms energy: -274.010546
where:
bonds (distance) C4'-P energy: -53.300
bonds (distance) P-C4' energy: -63.154
flat angles C4'-P-C4' energy: -64.330
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -55.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -508.656069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.656069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.656069 (E_RNA)
where:
Base-Base interactions energy: -283.248
where: short stacking energy: -165.993
Base-Backbone interact. energy: -1.142
local terms energy: -224.265756
where:
bonds (distance) C4'-P energy: -50.392
bonds (distance) P-C4' energy: -53.012
flat angles C4'-P-C4' energy: -59.463
flat angles P-C4'-P energy: -33.665
tors. eta vs tors. theta energy: -27.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -361.946222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.946222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.946222 (E_RNA)
where:
Base-Base interactions energy: -153.882
where: short stacking energy: -103.319
Base-Backbone interact. energy: 4.059
local terms energy: -212.122975
where:
bonds (distance) C4'-P energy: -57.908
bonds (distance) P-C4' energy: -63.624
flat angles C4'-P-C4' energy: -46.795
flat angles P-C4'-P energy: -34.743
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -334.613319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.613319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.613319 (E_RNA)
where:
Base-Base interactions energy: -164.240
where: short stacking energy: -77.409
Base-Backbone interact. energy: 1.877
local terms energy: -172.249920
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -57.082
flat angles C4'-P-C4' energy: -39.559
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: 6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -270.629213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.629213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.629213 (E_RNA)
where:
Base-Base interactions energy: -81.843
where: short stacking energy: -36.449
Base-Backbone interact. energy: -1.259
local terms energy: -187.527137
where:
bonds (distance) C4'-P energy: -58.697
bonds (distance) P-C4' energy: -61.663
flat angles C4'-P-C4' energy: -46.061
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: 14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -257.572352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.572352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.572352 (E_RNA)
where:
Base-Base interactions energy: -86.207
where: short stacking energy: -52.021
Base-Backbone interact. energy: 2.985
local terms energy: -174.350890
where:
bonds (distance) C4'-P energy: -52.065
bonds (distance) P-C4' energy: -59.839
flat angles C4'-P-C4' energy: -56.455
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: 19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1117.290800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.290800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.290800 (E_RNA)
where:
Base-Base interactions energy: -760.167
where: short stacking energy: -313.933
Base-Backbone interact. energy: -4.865
local terms energy: -352.258053
where:
bonds (distance) C4'-P energy: -73.618
bonds (distance) P-C4' energy: -61.522
flat angles C4'-P-C4' energy: -67.336
flat angles P-C4'-P energy: -54.742
tors. eta vs tors. theta energy: -95.040
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: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1084.284609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.284609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.284609 (E_RNA)
where:
Base-Base interactions energy: -716.825
where: short stacking energy: -321.120
Base-Backbone interact. energy: -0.806
local terms energy: -366.653581
where:
bonds (distance) C4'-P energy: -67.617
bonds (distance) P-C4' energy: -76.276
flat angles C4'-P-C4' energy: -76.505
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -109.778
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: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -955.143599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.143599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.143599 (E_RNA)
where:
Base-Base interactions energy: -627.201
where: short stacking energy: -281.710
Base-Backbone interact. energy: -1.028
local terms energy: -326.914053
where:
bonds (distance) C4'-P energy: -63.265
bonds (distance) P-C4' energy: -63.041
flat angles C4'-P-C4' energy: -69.504
flat angles P-C4'-P energy: -51.516
tors. eta vs tors. theta energy: -79.589
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: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -973.824977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.824977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.824977 (E_RNA)
where:
Base-Base interactions energy: -656.935
where: short stacking energy: -268.572
Base-Backbone interact. energy: 2.850
local terms energy: -319.740351
where:
bonds (distance) C4'-P energy: -60.602
bonds (distance) P-C4' energy: -64.072
flat angles C4'-P-C4' energy: -65.843
flat angles P-C4'-P energy: -49.637
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: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -651.130612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.130612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.130612 (E_RNA)
where:
Base-Base interactions energy: -387.585
where: short stacking energy: -162.132
Base-Backbone interact. energy: 2.675
local terms energy: -266.220516
where:
bonds (distance) C4'-P energy: -75.341
bonds (distance) P-C4' energy: -63.100
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -45.000
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -477.672440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.672440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.672440 (E_RNA)
where:
Base-Base interactions energy: -253.770
where: short stacking energy: -118.430
Base-Backbone interact. energy: -0.576
local terms energy: -223.326416
where:
bonds (distance) C4'-P energy: -67.060
bonds (distance) P-C4' energy: -68.566
flat angles C4'-P-C4' energy: -53.399
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -345.904489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.904489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.904489 (E_RNA)
where:
Base-Base interactions energy: -149.505
where: short stacking energy: -92.402
Base-Backbone interact. energy: -0.288
local terms energy: -196.111888
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -69.833
flat angles C4'-P-C4' energy: -39.789
flat angles P-C4'-P energy: -39.219
tors. eta vs tors. theta energy: 3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -291.672127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.672127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.672127 (E_RNA)
where:
Base-Base interactions energy: -91.861
where: short stacking energy: -84.943
Base-Backbone interact. energy: 2.575
local terms energy: -202.385736
where:
bonds (distance) C4'-P energy: -57.380
bonds (distance) P-C4' energy: -49.224
flat angles C4'-P-C4' energy: -55.728
flat angles P-C4'-P energy: -41.639
tors. eta vs tors. theta energy: 1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -306.850541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.850541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.850541 (E_RNA)
where:
Base-Base interactions energy: -107.863
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.891
local terms energy: -198.416517
where:
bonds (distance) C4'-P energy: -62.162
bonds (distance) P-C4' energy: -60.891
flat angles C4'-P-C4' energy: -44.054
flat angles P-C4'-P energy: -36.335
tors. eta vs tors. theta energy: 5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.320 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -257.172662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.172662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.172662 (E_RNA)
where:
Base-Base interactions energy: -85.041
where: short stacking energy: -70.016
Base-Backbone interact. energy: -1.858
local terms energy: -170.273579
where:
bonds (distance) C4'-P energy: -56.872
bonds (distance) P-C4' energy: -60.545
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: 12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1111.471326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.471326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.471326 (E_RNA)
where:
Base-Base interactions energy: -752.457
where: short stacking energy: -294.464
Base-Backbone interact. energy: 0.962
local terms energy: -359.976477
where:
bonds (distance) C4'-P energy: -63.752
bonds (distance) P-C4' energy: -71.321
flat angles C4'-P-C4' energy: -71.425
flat angles P-C4'-P energy: -52.428
tors. eta vs tors. theta energy: -101.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1071.867854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.867854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.867854 (E_RNA)
where:
Base-Base interactions energy: -701.503
where: short stacking energy: -315.013
Base-Backbone interact. energy: -1.157
local terms energy: -369.207043
where:
bonds (distance) C4'-P energy: -62.526
bonds (distance) P-C4' energy: -71.066
flat angles C4'-P-C4' energy: -71.282
flat angles P-C4'-P energy: -54.334
tors. eta vs tors. theta energy: -110.000
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: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -954.008855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.008855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.008855 (E_RNA)
where:
Base-Base interactions energy: -625.917
where: short stacking energy: -266.200
Base-Backbone interact. energy: -0.838
local terms energy: -327.253095
where:
bonds (distance) C4'-P energy: -62.875
bonds (distance) P-C4' energy: -66.182
flat angles C4'-P-C4' energy: -72.784
flat angles P-C4'-P energy: -42.018
tors. eta vs tors. theta energy: -83.394
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: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -941.753793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.753793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.753793 (E_RNA)
where:
Base-Base interactions energy: -639.036
where: short stacking energy: -257.800
Base-Backbone interact. energy: -0.436
local terms energy: -302.282077
where:
bonds (distance) C4'-P energy: -63.955
bonds (distance) P-C4' energy: -56.477
flat angles C4'-P-C4' energy: -62.488
flat angles P-C4'-P energy: -39.210
tors. eta vs tors. theta energy: -80.151
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: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -705.268388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.268388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.268388 (E_RNA)
where:
Base-Base interactions energy: -410.177
where: short stacking energy: -193.983
Base-Backbone interact. energy: -0.462
local terms energy: -294.629026
where:
bonds (distance) C4'-P energy: -70.217
bonds (distance) P-C4' energy: -63.578
flat angles C4'-P-C4' energy: -71.925
flat angles P-C4'-P energy: -39.074
tors. eta vs tors. theta energy: -49.836
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: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -444.417812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.417812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.417812 (E_RNA)
where:
Base-Base interactions energy: -218.367
where: short stacking energy: -90.996
Base-Backbone interact. energy: -0.347
local terms energy: -225.703165
where:
bonds (distance) C4'-P energy: -56.458
bonds (distance) P-C4' energy: -72.873
flat angles C4'-P-C4' energy: -61.087
flat angles P-C4'-P energy: -31.952
tors. eta vs tors. theta energy: -3.333
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: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -342.519753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.519753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.519753 (E_RNA)
where:
Base-Base interactions energy: -127.597
where: short stacking energy: -83.762
Base-Backbone interact. energy: -2.238
local terms energy: -212.684714
where:
bonds (distance) C4'-P energy: -53.986
bonds (distance) P-C4' energy: -76.600
flat angles C4'-P-C4' energy: -47.957
flat angles P-C4'-P energy: -34.248
tors. eta vs tors. theta energy: 0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -312.834610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.834610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.834610 (E_RNA)
where:
Base-Base interactions energy: -118.224
where: short stacking energy: -94.643
Base-Backbone interact. energy: 0.861
local terms energy: -195.472526
where:
bonds (distance) C4'-P energy: -55.436
bonds (distance) P-C4' energy: -58.297
flat angles C4'-P-C4' energy: -58.769
flat angles P-C4'-P energy: -29.687
tors. eta vs tors. theta energy: 6.717
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: 369
Temperature: 1.300000
Total energy: -283.811828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.811828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.811828 (E_RNA)
where:
Base-Base interactions energy: -100.502
where: short stacking energy: -68.213
Base-Backbone interact. energy: 2.507
local terms energy: -185.816205
where:
bonds (distance) C4'-P energy: -52.965
bonds (distance) P-C4' energy: -68.348
flat angles C4'-P-C4' energy: -39.019
flat angles P-C4'-P energy: -37.201
tors. eta vs tors. theta energy: 11.717
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: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -250.987080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.987080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.987080 (E_RNA)
where:
Base-Base interactions energy: -98.690
where: short stacking energy: -75.899
Base-Backbone interact. energy: -1.452
local terms energy: -150.845470
where:
bonds (distance) C4'-P energy: -56.287
bonds (distance) P-C4' energy: -55.690
flat angles C4'-P-C4' energy: -36.025
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: 16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1098.104204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.104204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.104204 (E_RNA)
where:
Base-Base interactions energy: -729.323
where: short stacking energy: -318.893
Base-Backbone interact. energy: 2.546
local terms energy: -371.327575
where:
bonds (distance) C4'-P energy: -62.635
bonds (distance) P-C4' energy: -68.257
flat angles C4'-P-C4' energy: -74.362
flat angles P-C4'-P energy: -54.873
tors. eta vs tors. theta energy: -111.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1075.482691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.482691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.482691 (E_RNA)
where:
Base-Base interactions energy: -721.911
where: short stacking energy: -290.444
Base-Backbone interact. energy: 0.002
local terms energy: -353.574387
where:
bonds (distance) C4'-P energy: -67.590
bonds (distance) P-C4' energy: -64.399
flat angles C4'-P-C4' energy: -76.425
flat angles P-C4'-P energy: -48.670
tors. eta vs tors. theta energy: -96.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -971.182813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.182813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.182813 (E_RNA)
where:
Base-Base interactions energy: -634.069
where: short stacking energy: -285.470
Base-Backbone interact. energy: -0.953
local terms energy: -336.160014
where:
bonds (distance) C4'-P energy: -53.185
bonds (distance) P-C4' energy: -70.925
flat angles C4'-P-C4' energy: -64.812
flat angles P-C4'-P energy: -58.698
tors. eta vs tors. theta energy: -88.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -888.478066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.478066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.478066 (E_RNA)
where:
Base-Base interactions energy: -566.302
where: short stacking energy: -232.401
Base-Backbone interact. energy: -0.749
local terms energy: -322.620868
where:
bonds (distance) C4'-P energy: -51.891
bonds (distance) P-C4' energy: -74.720
flat angles C4'-P-C4' energy: -67.611
flat angles P-C4'-P energy: -55.901
tors. eta vs tors. theta energy: -72.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.193 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -732.244231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.244231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.244231 (E_RNA)
where:
Base-Base interactions energy: -444.212
where: short stacking energy: -191.477
Base-Backbone interact. energy: -0.955
local terms energy: -287.077101
where:
bonds (distance) C4'-P energy: -60.937
bonds (distance) P-C4' energy: -60.568
flat angles C4'-P-C4' energy: -58.811
flat angles P-C4'-P energy: -53.092
tors. eta vs tors. theta energy: -53.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -500.120884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.120884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.120884 (E_RNA)
where:
Base-Base interactions energy: -277.450
where: short stacking energy: -149.388
Base-Backbone interact. energy: 2.176
local terms energy: -224.847614
where:
bonds (distance) C4'-P energy: -57.184
bonds (distance) P-C4' energy: -67.967
flat angles C4'-P-C4' energy: -58.871
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -322.620845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.620845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.620845 (E_RNA)
where:
Base-Base interactions energy: -118.824
where: short stacking energy: -86.094
Base-Backbone interact. energy: 1.912
local terms energy: -205.708819
where:
bonds (distance) C4'-P energy: -55.226
bonds (distance) P-C4' energy: -69.564
flat angles C4'-P-C4' energy: -47.101
flat angles P-C4'-P energy: -43.065
tors. eta vs tors. theta energy: 9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -305.877352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.877352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.877352 (E_RNA)
where:
Base-Base interactions energy: -110.269
where: short stacking energy: -86.282
Base-Backbone interact. energy: -1.823
local terms energy: -193.785734
where:
bonds (distance) C4'-P energy: -51.078
bonds (distance) P-C4' energy: -71.868
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -35.437
tors. eta vs tors. theta energy: 0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -275.162144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.162144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.162144 (E_RNA)
where:
Base-Base interactions energy: -103.289
where: short stacking energy: -86.045
Base-Backbone interact. energy: -0.755
local terms energy: -171.117640
where:
bonds (distance) C4'-P energy: -44.087
bonds (distance) P-C4' energy: -57.784
flat angles C4'-P-C4' energy: -48.210
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: 6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -263.131566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.131566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.131566 (E_RNA)
where:
Base-Base interactions energy: -85.962
where: short stacking energy: -59.933
Base-Backbone interact. energy: 2.529
local terms energy: -179.698884
where:
bonds (distance) C4'-P energy: -61.171
bonds (distance) P-C4' energy: -54.709
flat angles C4'-P-C4' energy: -46.410
flat angles P-C4'-P energy: -34.100
tors. eta vs tors. theta energy: 16.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1108.539390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.539390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.539390 (E_RNA)
where:
Base-Base interactions energy: -736.451
where: short stacking energy: -330.499
Base-Backbone interact. energy: 0.659
local terms energy: -372.747923
where:
bonds (distance) C4'-P energy: -60.568
bonds (distance) P-C4' energy: -65.220
flat angles C4'-P-C4' energy: -82.322
flat angles P-C4'-P energy: -54.363
tors. eta vs tors. theta energy: -110.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1079.177276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.177276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.177276 (E_RNA)
where:
Base-Base interactions energy: -744.692
where: short stacking energy: -302.022
Base-Backbone interact. energy: 1.374
local terms energy: -335.859533
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -50.695
flat angles C4'-P-C4' energy: -70.167
flat angles P-C4'-P energy: -44.012
tors. eta vs tors. theta energy: -98.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -994.545390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.545390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.545390 (E_RNA)
where:
Base-Base interactions energy: -646.708
where: short stacking energy: -275.599
Base-Backbone interact. energy: 5.118
local terms energy: -352.955668
where:
bonds (distance) C4'-P energy: -70.559
bonds (distance) P-C4' energy: -68.324
flat angles C4'-P-C4' energy: -73.136
flat angles P-C4'-P energy: -43.828
tors. eta vs tors. theta energy: -97.108
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: 371
Temperature: 1.050000
Total energy: -897.259880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.259880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.259880 (E_RNA)
where:
Base-Base interactions energy: -572.274
where: short stacking energy: -250.478
Base-Backbone interact. energy: -0.948
local terms energy: -324.037853
where:
bonds (distance) C4'-P energy: -65.825
bonds (distance) P-C4' energy: -64.919
flat angles C4'-P-C4' energy: -63.315
flat angles P-C4'-P energy: -51.991
tors. eta vs tors. theta energy: -77.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -724.317117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.317117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.317117 (E_RNA)
where:
Base-Base interactions energy: -456.741
where: short stacking energy: -215.546
Base-Backbone interact. energy: -1.542
local terms energy: -266.034546
where:
bonds (distance) C4'-P energy: -53.360
bonds (distance) P-C4' energy: -60.463
flat angles C4'-P-C4' energy: -66.815
flat angles P-C4'-P energy: -30.534
tors. eta vs tors. theta energy: -54.863
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: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -517.704834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.704834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.704834 (E_RNA)
where:
Base-Base interactions energy: -280.906
where: short stacking energy: -142.007
Base-Backbone interact. energy: 0.129
local terms energy: -236.927013
where:
bonds (distance) C4'-P energy: -51.257
bonds (distance) P-C4' energy: -68.391
flat angles C4'-P-C4' energy: -49.968
flat angles P-C4'-P energy: -36.960
tors. eta vs tors. theta energy: -30.350
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: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -317.629116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.629116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.629116 (E_RNA)
where:
Base-Base interactions energy: -102.848
where: short stacking energy: -86.994
Base-Backbone interact. energy: -0.690
local terms energy: -214.091697
where:
bonds (distance) C4'-P energy: -63.945
bonds (distance) P-C4' energy: -59.072
flat angles C4'-P-C4' energy: -55.339
flat angles P-C4'-P energy: -37.477
tors. eta vs tors. theta energy: 1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -313.696810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.696810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.696810 (E_RNA)
where:
Base-Base interactions energy: -113.876
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.705
local terms energy: -199.116083
where:
bonds (distance) C4'-P energy: -57.802
bonds (distance) P-C4' energy: -61.775
flat angles C4'-P-C4' energy: -54.362
flat angles P-C4'-P energy: -30.485
tors. eta vs tors. theta energy: 5.308
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: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -286.277127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.277127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.277127 (E_RNA)
where:
Base-Base interactions energy: -120.487
where: short stacking energy: -70.403
Base-Backbone interact. energy: -3.420
local terms energy: -162.369599
where:
bonds (distance) C4'-P energy: -63.192
bonds (distance) P-C4' energy: -65.727
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: 23.942
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: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -265.194473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.194473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.194473 (E_RNA)
where:
Base-Base interactions energy: -93.572
where: short stacking energy: -75.555
Base-Backbone interact. energy: 0.882
local terms energy: -172.504174
where:
bonds (distance) C4'-P energy: -57.050
bonds (distance) P-C4' energy: -51.280
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: 8.841
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: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1110.846484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.846484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.846484 (E_RNA)
where:
Base-Base interactions energy: -754.695
where: short stacking energy: -299.834
Base-Backbone interact. energy: -1.552
local terms energy: -354.599662
where:
bonds (distance) C4'-P energy: -67.480
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -72.592
flat angles P-C4'-P energy: -57.176
tors. eta vs tors. theta energy: -94.166
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: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1068.386504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.386504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.386504 (E_RNA)
where:
Base-Base interactions energy: -711.893
where: short stacking energy: -309.501
Base-Backbone interact. energy: -0.995
local terms energy: -355.498091
where:
bonds (distance) C4'-P energy: -69.261
bonds (distance) P-C4' energy: -68.343
flat angles C4'-P-C4' energy: -70.261
flat angles P-C4'-P energy: -42.991
tors. eta vs tors. theta energy: -104.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -996.656756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.656756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.656756 (E_RNA)
where:
Base-Base interactions energy: -663.020
where: short stacking energy: -271.793
Base-Backbone interact. energy: 0.151
local terms energy: -333.787297
where:
bonds (distance) C4'-P energy: -63.411
bonds (distance) P-C4' energy: -67.037
flat angles C4'-P-C4' energy: -65.273
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -92.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -933.236434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.236434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.236434 (E_RNA)
where:
Base-Base interactions energy: -608.705
where: short stacking energy: -265.730
Base-Backbone interact. energy: -0.488
local terms energy: -324.043924
where:
bonds (distance) C4'-P energy: -54.945
bonds (distance) P-C4' energy: -63.459
flat angles C4'-P-C4' energy: -73.196
flat angles P-C4'-P energy: -49.073
tors. eta vs tors. theta energy: -83.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -686.978605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.978605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.978605 (E_RNA)
where:
Base-Base interactions energy: -398.912
where: short stacking energy: -178.513
Base-Backbone interact. energy: -1.749
local terms energy: -286.317898
where:
bonds (distance) C4'-P energy: -58.747
bonds (distance) P-C4' energy: -77.922
flat angles C4'-P-C4' energy: -62.055
flat angles P-C4'-P energy: -39.026
tors. eta vs tors. theta energy: -48.569
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: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -537.690428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.690428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.690428 (E_RNA)
where:
Base-Base interactions energy: -303.319
where: short stacking energy: -155.180
Base-Backbone interact. energy: -1.066
local terms energy: -233.305280
where:
bonds (distance) C4'-P energy: -66.421
bonds (distance) P-C4' energy: -47.264
flat angles C4'-P-C4' energy: -56.721
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: -30.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -331.423698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.423698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.423698 (E_RNA)
where:
Base-Base interactions energy: -133.682
where: short stacking energy: -88.572
Base-Backbone interact. energy: -2.355
local terms energy: -195.387562
where:
bonds (distance) C4'-P energy: -52.431
bonds (distance) P-C4' energy: -72.571
flat angles C4'-P-C4' energy: -47.580
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -323.027567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.027567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.027567 (E_RNA)
where:
Base-Base interactions energy: -129.793
where: short stacking energy: -96.229
Base-Backbone interact. energy: 3.508
local terms energy: -196.742381
where:
bonds (distance) C4'-P energy: -55.340
bonds (distance) P-C4' energy: -52.372
flat angles C4'-P-C4' energy: -52.792
flat angles P-C4'-P energy: -30.670
tors. eta vs tors. theta energy: -5.568
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: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -296.811701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.811701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.811701 (E_RNA)
where:
Base-Base interactions energy: -90.605
where: short stacking energy: -76.706
Base-Backbone interact. energy: -0.447
local terms energy: -205.759648
where:
bonds (distance) C4'-P energy: -66.319
bonds (distance) P-C4' energy: -72.555
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -265.796061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.796061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.796061 (E_RNA)
where:
Base-Base interactions energy: -87.770
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.581
local terms energy: -177.444615
where:
bonds (distance) C4'-P energy: -46.552
bonds (distance) P-C4' energy: -59.969
flat angles C4'-P-C4' energy: -57.979
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: 14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1102.608855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.608855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.608855 (E_RNA)
where:
Base-Base interactions energy: -771.554
where: short stacking energy: -300.821
Base-Backbone interact. energy: 1.548
local terms energy: -332.603183
where:
bonds (distance) C4'-P energy: -54.872
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -66.334
flat angles P-C4'-P energy: -54.519
tors. eta vs tors. theta energy: -99.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1018.165042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.165042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.165042 (E_RNA)
where:
Base-Base interactions energy: -662.764
where: short stacking energy: -290.464
Base-Backbone interact. energy: -0.203
local terms energy: -355.197839
where:
bonds (distance) C4'-P energy: -67.425
bonds (distance) P-C4' energy: -70.382
flat angles C4'-P-C4' energy: -77.269
flat angles P-C4'-P energy: -52.461
tors. eta vs tors. theta energy: -87.661
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: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1028.498541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.498541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.498541 (E_RNA)
where:
Base-Base interactions energy: -680.497
where: short stacking energy: -306.908
Base-Backbone interact. energy: -0.341
local terms energy: -347.660024
where:
bonds (distance) C4'-P energy: -67.229
bonds (distance) P-C4' energy: -63.630
flat angles C4'-P-C4' energy: -68.238
flat angles P-C4'-P energy: -41.645
tors. eta vs tors. theta energy: -106.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -925.882891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.882891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.882891 (E_RNA)
where:
Base-Base interactions energy: -616.802
where: short stacking energy: -273.317
Base-Backbone interact. energy: -0.927
local terms energy: -308.154118
where:
bonds (distance) C4'-P energy: -54.081
bonds (distance) P-C4' energy: -60.386
flat angles C4'-P-C4' energy: -62.287
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -86.559
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: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -704.974474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.974474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.974474 (E_RNA)
where:
Base-Base interactions energy: -429.684
where: short stacking energy: -195.496
Base-Backbone interact. energy: -1.033
local terms energy: -274.256835
where:
bonds (distance) C4'-P energy: -61.652
bonds (distance) P-C4' energy: -66.527
flat angles C4'-P-C4' energy: -67.296
flat angles P-C4'-P energy: -38.758
tors. eta vs tors. theta energy: -40.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -547.613723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.613723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.613723 (E_RNA)
where:
Base-Base interactions energy: -309.997
where: short stacking energy: -160.200
Base-Backbone interact. energy: -1.293
local terms energy: -237.404147
where:
bonds (distance) C4'-P energy: -50.361
bonds (distance) P-C4' energy: -62.427
flat angles C4'-P-C4' energy: -61.252
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -25.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.080 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -331.610258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.610258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.610258 (E_RNA)
where:
Base-Base interactions energy: -127.484
where: short stacking energy: -93.468
Base-Backbone interact. energy: 0.178
local terms energy: -204.304422
where:
bonds (distance) C4'-P energy: -56.711
bonds (distance) P-C4' energy: -72.998
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -31.948
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -301.120606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.120606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.120606 (E_RNA)
where:
Base-Base interactions energy: -112.730
where: short stacking energy: -96.583
Base-Backbone interact. energy: 3.515
local terms energy: -191.905474
where:
bonds (distance) C4'-P energy: -46.238
bonds (distance) P-C4' energy: -61.877
flat angles C4'-P-C4' energy: -48.682
flat angles P-C4'-P energy: -34.836
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -285.002364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.002364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.002364 (E_RNA)
where:
Base-Base interactions energy: -90.009
where: short stacking energy: -75.095
Base-Backbone interact. energy: 1.341
local terms energy: -196.333909
where:
bonds (distance) C4'-P energy: -53.195
bonds (distance) P-C4' energy: -64.764
flat angles C4'-P-C4' energy: -54.390
flat angles P-C4'-P energy: -33.796
tors. eta vs tors. theta energy: 9.811
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: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -285.244230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.244230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.244230 (E_RNA)
where:
Base-Base interactions energy: -101.717
where: short stacking energy: -80.591
Base-Backbone interact. energy: 1.111
local terms energy: -186.293395
where:
bonds (distance) C4'-P energy: -56.635
bonds (distance) P-C4' energy: -55.197
flat angles C4'-P-C4' energy: -59.916
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: 14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.655 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1104.722413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.722413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.722413 (E_RNA)
where:
Base-Base interactions energy: -738.287
where: short stacking energy: -304.368
Base-Backbone interact. energy: -2.489
local terms energy: -363.946890
where:
bonds (distance) C4'-P energy: -70.517
bonds (distance) P-C4' energy: -73.762
flat angles C4'-P-C4' energy: -68.159
flat angles P-C4'-P energy: -54.711
tors. eta vs tors. theta energy: -96.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1031.761658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.761658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.761658 (E_RNA)
where:
Base-Base interactions energy: -693.094
where: short stacking energy: -303.341
Base-Backbone interact. energy: -0.514
local terms energy: -338.153829
where:
bonds (distance) C4'-P energy: -63.501
bonds (distance) P-C4' energy: -59.652
flat angles C4'-P-C4' energy: -80.074
flat angles P-C4'-P energy: -45.012
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: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1023.889639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.889639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.889639 (E_RNA)
where:
Base-Base interactions energy: -685.436
where: short stacking energy: -279.707
Base-Backbone interact. energy: -0.213
local terms energy: -338.240248
where:
bonds (distance) C4'-P energy: -58.619
bonds (distance) P-C4' energy: -69.228
flat angles C4'-P-C4' energy: -67.476
flat angles P-C4'-P energy: -45.979
tors. eta vs tors. theta energy: -96.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -905.912706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.912706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.912706 (E_RNA)
where:
Base-Base interactions energy: -585.378
where: short stacking energy: -264.521
Base-Backbone interact. energy: -0.683
local terms energy: -319.851852
where:
bonds (distance) C4'-P energy: -50.692
bonds (distance) P-C4' energy: -63.620
flat angles C4'-P-C4' energy: -71.355
flat angles P-C4'-P energy: -47.907
tors. eta vs tors. theta energy: -86.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -771.763275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.763275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.763275 (E_RNA)
where:
Base-Base interactions energy: -502.292
where: short stacking energy: -211.445
Base-Backbone interact. energy: -1.081
local terms energy: -268.390026
where:
bonds (distance) C4'-P energy: -59.422
bonds (distance) P-C4' energy: -51.761
flat angles C4'-P-C4' energy: -67.870
flat angles P-C4'-P energy: -35.514
tors. eta vs tors. theta energy: -53.823
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: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -539.526561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.526561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.526561 (E_RNA)
where:
Base-Base interactions energy: -306.188
where: short stacking energy: -174.648
Base-Backbone interact. energy: -2.649
local terms energy: -230.689358
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -59.520
flat angles C4'-P-C4' energy: -52.606
flat angles P-C4'-P energy: -37.813
tors. eta vs tors. theta energy: -33.273
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: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -335.981986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.981986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.981986 (E_RNA)
where:
Base-Base interactions energy: -141.718
where: short stacking energy: -126.899
Base-Backbone interact. energy: 1.172
local terms energy: -195.435549
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -56.453
flat angles C4'-P-C4' energy: -49.479
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -12.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -286.545007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.545007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.545007 (E_RNA)
where:
Base-Base interactions energy: -106.169
where: short stacking energy: -81.376
Base-Backbone interact. energy: -0.942
local terms energy: -179.433884
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -59.542
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: 7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -283.114972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.114972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.114972 (E_RNA)
where:
Base-Base interactions energy: -100.276
where: short stacking energy: -73.339
Base-Backbone interact. energy: -0.391
local terms energy: -182.447575
where:
bonds (distance) C4'-P energy: -55.380
bonds (distance) P-C4' energy: -53.124
flat angles C4'-P-C4' energy: -47.354
flat angles P-C4'-P energy: -30.125
tors. eta vs tors. theta energy: 3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -256.217713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.217713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.217713 (E_RNA)
where:
Base-Base interactions energy: -81.973
where: short stacking energy: -55.312
Base-Backbone interact. energy: 0.510
local terms energy: -177.446791
where:
bonds (distance) C4'-P energy: -55.064
bonds (distance) P-C4' energy: -50.500
flat angles C4'-P-C4' energy: -45.336
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.692 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1100.224087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.224087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.224087 (E_RNA)
where:
Base-Base interactions energy: -760.494
where: short stacking energy: -300.122
Base-Backbone interact. energy: -3.297
local terms energy: -336.433107
where:
bonds (distance) C4'-P energy: -66.324
bonds (distance) P-C4' energy: -66.853
flat angles C4'-P-C4' energy: -67.781
flat angles P-C4'-P energy: -35.681
tors. eta vs tors. theta energy: -99.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1039.457977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.457977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.457977 (E_RNA)
where:
Base-Base interactions energy: -702.570
where: short stacking energy: -287.522
Base-Backbone interact. energy: -0.312
local terms energy: -336.576548
where:
bonds (distance) C4'-P energy: -62.992
bonds (distance) P-C4' energy: -67.561
flat angles C4'-P-C4' energy: -70.096
flat angles P-C4'-P energy: -42.473
tors. eta vs tors. theta energy: -93.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1033.592121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.592121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.592121 (E_RNA)
where:
Base-Base interactions energy: -675.593
where: short stacking energy: -304.479
Base-Backbone interact. energy: 1.608
local terms energy: -359.607472
where:
bonds (distance) C4'-P energy: -60.348
bonds (distance) P-C4' energy: -64.490
flat angles C4'-P-C4' energy: -81.327
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -109.212
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: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -934.258946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.258946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.258946 (E_RNA)
where:
Base-Base interactions energy: -612.562
where: short stacking energy: -265.770
Base-Backbone interact. energy: -0.635
local terms energy: -321.062568
where:
bonds (distance) C4'-P energy: -48.777
bonds (distance) P-C4' energy: -67.992
flat angles C4'-P-C4' energy: -76.885
flat angles P-C4'-P energy: -46.956
tors. eta vs tors. theta energy: -80.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -756.127729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.127729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.127729 (E_RNA)
where:
Base-Base interactions energy: -462.864
where: short stacking energy: -210.516
Base-Backbone interact. energy: -1.485
local terms energy: -291.778879
where:
bonds (distance) C4'-P energy: -60.342
bonds (distance) P-C4' energy: -64.936
flat angles C4'-P-C4' energy: -62.888
flat angles P-C4'-P energy: -49.503
tors. eta vs tors. theta energy: -54.109
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: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -546.108700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.108700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.108700 (E_RNA)
where:
Base-Base interactions energy: -305.667
where: short stacking energy: -139.587
Base-Backbone interact. energy: -1.486
local terms energy: -238.955343
where:
bonds (distance) C4'-P energy: -61.898
bonds (distance) P-C4' energy: -55.909
flat angles C4'-P-C4' energy: -61.691
flat angles P-C4'-P energy: -38.246
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -343.327627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.327627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.327627 (E_RNA)
where:
Base-Base interactions energy: -128.492
where: short stacking energy: -101.893
Base-Backbone interact. energy: -1.652
local terms energy: -213.183394
where:
bonds (distance) C4'-P energy: -57.356
bonds (distance) P-C4' energy: -61.988
flat angles C4'-P-C4' energy: -60.420
flat angles P-C4'-P energy: -36.663
tors. eta vs tors. theta energy: 3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -340.750196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.750196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.750196 (E_RNA)
where:
Base-Base interactions energy: -146.323
where: short stacking energy: -92.430
Base-Backbone interact. energy: -0.624
local terms energy: -194.267245
where:
bonds (distance) C4'-P energy: -59.658
bonds (distance) P-C4' energy: -52.136
flat angles C4'-P-C4' energy: -47.174
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.465 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -290.346410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.346410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.346410 (E_RNA)
where:
Base-Base interactions energy: -91.097
where: short stacking energy: -65.957
Base-Backbone interact. energy: -1.355
local terms energy: -197.894326
where:
bonds (distance) C4'-P energy: -72.159
bonds (distance) P-C4' energy: -52.672
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: 14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -276.541692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.541692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.541692 (E_RNA)
where:
Base-Base interactions energy: -74.811
where: short stacking energy: -68.625
Base-Backbone interact. energy: -2.390
local terms energy: -199.341363
where:
bonds (distance) C4'-P energy: -51.461
bonds (distance) P-C4' energy: -67.936
flat angles C4'-P-C4' energy: -48.835
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1102.983016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.983016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.983016 (E_RNA)
where:
Base-Base interactions energy: -752.554
where: short stacking energy: -295.801
Base-Backbone interact. energy: -3.301
local terms energy: -347.128072
where:
bonds (distance) C4'-P energy: -67.054
bonds (distance) P-C4' energy: -75.878
flat angles C4'-P-C4' energy: -74.389
flat angles P-C4'-P energy: -37.929
tors. eta vs tors. theta energy: -91.878
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: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1027.578917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.578917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.578917 (E_RNA)
where:
Base-Base interactions energy: -693.828
where: short stacking energy: -298.389
Base-Backbone interact. energy: -1.065
local terms energy: -332.685698
where:
bonds (distance) C4'-P energy: -58.873
bonds (distance) P-C4' energy: -63.555
flat angles C4'-P-C4' energy: -74.344
flat angles P-C4'-P energy: -39.765
tors. eta vs tors. theta energy: -96.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1048.124183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.124183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.124183 (E_RNA)
where:
Base-Base interactions energy: -692.847
where: short stacking energy: -313.519
Base-Backbone interact. energy: -1.032
local terms energy: -354.245073
where:
bonds (distance) C4'-P energy: -59.064
bonds (distance) P-C4' energy: -66.022
flat angles C4'-P-C4' energy: -73.960
flat angles P-C4'-P energy: -44.744
tors. eta vs tors. theta energy: -110.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -947.837955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.837955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.837955 (E_RNA)
where:
Base-Base interactions energy: -608.688
where: short stacking energy: -274.392
Base-Backbone interact. energy: -2.070
local terms energy: -337.080238
where:
bonds (distance) C4'-P energy: -57.409
bonds (distance) P-C4' energy: -67.581
flat angles C4'-P-C4' energy: -64.482
flat angles P-C4'-P energy: -51.369
tors. eta vs tors. theta energy: -96.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -756.543818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.543818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.543818 (E_RNA)
where:
Base-Base interactions energy: -462.526
where: short stacking energy: -207.440
Base-Backbone interact. energy: -0.923
local terms energy: -293.094099
where:
bonds (distance) C4'-P energy: -53.636
bonds (distance) P-C4' energy: -73.371
flat angles C4'-P-C4' energy: -72.422
flat angles P-C4'-P energy: -33.260
tors. eta vs tors. theta energy: -60.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -556.115193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.115193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.115193 (E_RNA)
where:
Base-Base interactions energy: -293.727
where: short stacking energy: -146.177
Base-Backbone interact. energy: -3.001
local terms energy: -259.387160
where:
bonds (distance) C4'-P energy: -55.741
bonds (distance) P-C4' energy: -76.750
flat angles C4'-P-C4' energy: -53.176
flat angles P-C4'-P energy: -34.102
tors. eta vs tors. theta energy: -39.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -339.146635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.146635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.146635 (E_RNA)
where:
Base-Base interactions energy: -127.108
where: short stacking energy: -78.012
Base-Backbone interact. energy: -1.662
local terms energy: -210.376981
where:
bonds (distance) C4'-P energy: -64.640
bonds (distance) P-C4' energy: -65.312
flat angles C4'-P-C4' energy: -53.778
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -380.626760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.626760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.626760 (E_RNA)
where:
Base-Base interactions energy: -192.175
where: short stacking energy: -90.870
Base-Backbone interact. energy: 0.944
local terms energy: -189.395429
where:
bonds (distance) C4'-P energy: -55.290
bonds (distance) P-C4' energy: -55.705
flat angles C4'-P-C4' energy: -55.639
flat angles P-C4'-P energy: -25.031
tors. eta vs tors. theta energy: 2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -273.401333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.401333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.401333 (E_RNA)
where:
Base-Base interactions energy: -84.181
where: short stacking energy: -67.325
Base-Backbone interact. energy: 0.581
local terms energy: -191.569867
where:
bonds (distance) C4'-P energy: -54.876
bonds (distance) P-C4' energy: -60.865
flat angles C4'-P-C4' energy: -57.444
flat angles P-C4'-P energy: -33.831
tors. eta vs tors. theta energy: 15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.768 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -255.342431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.342431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.342431 (E_RNA)
where:
Base-Base interactions energy: -87.067
where: short stacking energy: -52.390
Base-Backbone interact. energy: -3.127
local terms energy: -165.148766
where:
bonds (distance) C4'-P energy: -40.837
bonds (distance) P-C4' energy: -55.911
flat angles C4'-P-C4' energy: -41.645
flat angles P-C4'-P energy: -31.226
tors. eta vs tors. theta energy: 4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1131.096801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.096801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.096801 (E_RNA)
where:
Base-Base interactions energy: -795.376
where: short stacking energy: -296.040
Base-Backbone interact. energy: -2.301
local terms energy: -333.419661
where:
bonds (distance) C4'-P energy: -54.857
bonds (distance) P-C4' energy: -66.714
flat angles C4'-P-C4' energy: -73.885
flat angles P-C4'-P energy: -42.757
tors. eta vs tors. theta energy: -95.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1074.675592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.675592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.675592 (E_RNA)
where:
Base-Base interactions energy: -699.170
where: short stacking energy: -317.897
Base-Backbone interact. energy: 0.511
local terms energy: -376.016777
where:
bonds (distance) C4'-P energy: -60.563
bonds (distance) P-C4' energy: -65.466
flat angles C4'-P-C4' energy: -79.849
flat angles P-C4'-P energy: -56.247
tors. eta vs tors. theta energy: -113.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1005.492014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.492014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.492014 (E_RNA)
where:
Base-Base interactions energy: -667.875
where: short stacking energy: -280.963
Base-Backbone interact. energy: -1.339
local terms energy: -336.278262
where:
bonds (distance) C4'-P energy: -68.158
bonds (distance) P-C4' energy: -63.493
flat angles C4'-P-C4' energy: -73.336
flat angles P-C4'-P energy: -42.433
tors. eta vs tors. theta energy: -88.857
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: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -926.656829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.656829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.656829 (E_RNA)
where:
Base-Base interactions energy: -603.386
where: short stacking energy: -260.900
Base-Backbone interact. energy: -0.944
local terms energy: -322.327591
where:
bonds (distance) C4'-P energy: -63.360
bonds (distance) P-C4' energy: -61.676
flat angles C4'-P-C4' energy: -63.932
flat angles P-C4'-P energy: -47.894
tors. eta vs tors. theta energy: -85.466
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: 377
Temperature: 1.100000
Total energy: -744.869464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.869464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.869464 (E_RNA)
where:
Base-Base interactions energy: -465.602
where: short stacking energy: -196.831
Base-Backbone interact. energy: -0.943
local terms energy: -278.324482
where:
bonds (distance) C4'-P energy: -65.737
bonds (distance) P-C4' energy: -61.012
flat angles C4'-P-C4' energy: -60.696
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: -46.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -548.833489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.833489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.833489 (E_RNA)
where:
Base-Base interactions energy: -315.151
where: short stacking energy: -156.688
Base-Backbone interact. energy: 3.402
local terms energy: -237.084604
where:
bonds (distance) C4'-P energy: -62.641
bonds (distance) P-C4' energy: -61.383
flat angles C4'-P-C4' energy: -46.354
flat angles P-C4'-P energy: -33.272
tors. eta vs tors. theta energy: -33.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -373.735322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.735322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.735322 (E_RNA)
where:
Base-Base interactions energy: -162.083
where: short stacking energy: -97.915
Base-Backbone interact. energy: -0.913
local terms energy: -210.739386
where:
bonds (distance) C4'-P energy: -43.267
bonds (distance) P-C4' energy: -60.749
flat angles C4'-P-C4' energy: -59.468
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -14.708
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: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -330.466346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.466346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.466346 (E_RNA)
where:
Base-Base interactions energy: -128.650
where: short stacking energy: -84.107
Base-Backbone interact. energy: 4.084
local terms energy: -205.900139
where:
bonds (distance) C4'-P energy: -53.820
bonds (distance) P-C4' energy: -48.240
flat angles C4'-P-C4' energy: -67.007
flat angles P-C4'-P energy: -36.122
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -278.869166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.869166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.869166 (E_RNA)
where:
Base-Base interactions energy: -118.942
where: short stacking energy: -86.495
Base-Backbone interact. energy: -0.928
local terms energy: -158.999159
where:
bonds (distance) C4'-P energy: -46.148
bonds (distance) P-C4' energy: -56.353
flat angles C4'-P-C4' energy: -31.651
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: 8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -277.761340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.761340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.761340 (E_RNA)
where:
Base-Base interactions energy: -112.317
where: short stacking energy: -51.458
Base-Backbone interact. energy: 9.223
local terms energy: -174.667132
where:
bonds (distance) C4'-P energy: -51.944
bonds (distance) P-C4' energy: -58.860
flat angles C4'-P-C4' energy: -45.666
flat angles P-C4'-P energy: -30.449
tors. eta vs tors. theta energy: 12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1107.180950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.180950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.180950 (E_RNA)
where:
Base-Base interactions energy: -755.128
where: short stacking energy: -295.435
Base-Backbone interact. energy: -2.455
local terms energy: -349.598024
where:
bonds (distance) C4'-P energy: -75.342
bonds (distance) P-C4' energy: -68.093
flat angles C4'-P-C4' energy: -70.162
flat angles P-C4'-P energy: -39.013
tors. eta vs tors. theta energy: -96.988
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: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1071.078851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.078851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.078851 (E_RNA)
where:
Base-Base interactions energy: -703.147
where: short stacking energy: -330.425
Base-Backbone interact. energy: 0.569
local terms energy: -368.500411
where:
bonds (distance) C4'-P energy: -64.887
bonds (distance) P-C4' energy: -63.993
flat angles C4'-P-C4' energy: -69.622
flat angles P-C4'-P energy: -57.061
tors. eta vs tors. theta energy: -112.938
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: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1012.724578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.724578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.724578 (E_RNA)
where:
Base-Base interactions energy: -663.109
where: short stacking energy: -275.461
Base-Backbone interact. energy: -0.518
local terms energy: -349.097712
where:
bonds (distance) C4'-P energy: -60.301
bonds (distance) P-C4' energy: -78.356
flat angles C4'-P-C4' energy: -73.337
flat angles P-C4'-P energy: -45.036
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: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -939.958293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.958293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.958293 (E_RNA)
where:
Base-Base interactions energy: -599.519
where: short stacking energy: -274.857
Base-Backbone interact. energy: -0.394
local terms energy: -340.044649
where:
bonds (distance) C4'-P energy: -67.368
bonds (distance) P-C4' energy: -62.202
flat angles C4'-P-C4' energy: -66.382
flat angles P-C4'-P energy: -48.198
tors. eta vs tors. theta energy: -95.895
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: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -770.289372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.289372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.289372 (E_RNA)
where:
Base-Base interactions energy: -484.944
where: short stacking energy: -222.077
Base-Backbone interact. energy: 0.237
local terms energy: -285.581886
where:
bonds (distance) C4'-P energy: -53.487
bonds (distance) P-C4' energy: -63.038
flat angles C4'-P-C4' energy: -64.420
flat angles P-C4'-P energy: -44.696
tors. eta vs tors. theta energy: -59.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -548.305550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.305550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.305550 (E_RNA)
where:
Base-Base interactions energy: -310.040
where: short stacking energy: -144.436
Base-Backbone interact. energy: -2.061
local terms energy: -236.204289
where:
bonds (distance) C4'-P energy: -61.201
bonds (distance) P-C4' energy: -63.332
flat angles C4'-P-C4' energy: -50.834
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -35.898
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: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -412.988453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.988453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.988453 (E_RNA)
where:
Base-Base interactions energy: -192.908
where: short stacking energy: -113.584
Base-Backbone interact. energy: 1.662
local terms energy: -221.743133
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -68.071
flat angles C4'-P-C4' energy: -56.407
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -379.528513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.528513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.528513 (E_RNA)
where:
Base-Base interactions energy: -176.537
where: short stacking energy: -77.234
Base-Backbone interact. energy: -1.265
local terms energy: -201.726461
where:
bonds (distance) C4'-P energy: -52.904
bonds (distance) P-C4' energy: -58.168
flat angles C4'-P-C4' energy: -55.708
flat angles P-C4'-P energy: -40.295
tors. eta vs tors. theta energy: 5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -314.766753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.766753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.766753 (E_RNA)
where:
Base-Base interactions energy: -125.735
where: short stacking energy: -70.406
Base-Backbone interact. energy: -1.399
local terms energy: -187.632970
where:
bonds (distance) C4'-P energy: -60.661
bonds (distance) P-C4' energy: -65.824
flat angles C4'-P-C4' energy: -40.059
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -248.350275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.350275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.350275 (E_RNA)
where:
Base-Base interactions energy: -59.542
where: short stacking energy: -45.761
Base-Backbone interact. energy: 1.142
local terms energy: -189.949587
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -70.063
flat angles C4'-P-C4' energy: -46.711
flat angles P-C4'-P energy: -45.610
tors. eta vs tors. theta energy: 20.427
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: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1139.116769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.116769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.116769 (E_RNA)
where:
Base-Base interactions energy: -790.850
where: short stacking energy: -302.488
Base-Backbone interact. energy: -4.101
local terms energy: -344.166015
where:
bonds (distance) C4'-P energy: -55.132
bonds (distance) P-C4' energy: -75.408
flat angles C4'-P-C4' energy: -74.566
flat angles P-C4'-P energy: -45.899
tors. eta vs tors. theta energy: -93.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1075.922868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.922868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.922868 (E_RNA)
where:
Base-Base interactions energy: -705.699
where: short stacking energy: -321.419
Base-Backbone interact. energy: -0.240
local terms energy: -369.983551
where:
bonds (distance) C4'-P energy: -64.106
bonds (distance) P-C4' energy: -70.995
flat angles C4'-P-C4' energy: -77.798
flat angles P-C4'-P energy: -47.912
tors. eta vs tors. theta energy: -109.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1003.891401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.891401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.891401 (E_RNA)
where:
Base-Base interactions energy: -676.864
where: short stacking energy: -277.761
Base-Backbone interact. energy: -1.618
local terms energy: -325.409909
where:
bonds (distance) C4'-P energy: -59.821
bonds (distance) P-C4' energy: -65.677
flat angles C4'-P-C4' energy: -69.182
flat angles P-C4'-P energy: -39.862
tors. eta vs tors. theta energy: -90.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -929.747877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.747877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.747877 (E_RNA)
where:
Base-Base interactions energy: -605.520
where: short stacking energy: -258.332
Base-Backbone interact. energy: -0.864
local terms energy: -323.364010
where:
bonds (distance) C4'-P energy: -55.364
bonds (distance) P-C4' energy: -58.321
flat angles C4'-P-C4' energy: -75.372
flat angles P-C4'-P energy: -50.996
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: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -765.624716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.624716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.624716 (E_RNA)
where:
Base-Base interactions energy: -489.253
where: short stacking energy: -206.601
Base-Backbone interact. energy: -1.089
local terms energy: -275.282806
where:
bonds (distance) C4'-P energy: -48.475
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -76.824
flat angles P-C4'-P energy: -41.278
tors. eta vs tors. theta energy: -58.297
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: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -587.740014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.740014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.740014 (E_RNA)
where:
Base-Base interactions energy: -329.161
where: short stacking energy: -138.143
Base-Backbone interact. energy: -1.368
local terms energy: -257.210753
where:
bonds (distance) C4'-P energy: -51.215
bonds (distance) P-C4' energy: -62.600
flat angles C4'-P-C4' energy: -69.632
flat angles P-C4'-P energy: -42.482
tors. eta vs tors. theta energy: -31.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -409.189859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.189859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.189859 (E_RNA)
where:
Base-Base interactions energy: -211.401
where: short stacking energy: -128.324
Base-Backbone interact. energy: 1.765
local terms energy: -199.553179
where:
bonds (distance) C4'-P energy: -49.574
bonds (distance) P-C4' energy: -59.691
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -305.040417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.040417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.040417 (E_RNA)
where:
Base-Base interactions energy: -100.915
where: short stacking energy: -81.474
Base-Backbone interact. energy: -0.295
local terms energy: -203.829992
where:
bonds (distance) C4'-P energy: -62.324
bonds (distance) P-C4' energy: -70.526
flat angles C4'-P-C4' energy: -56.941
flat angles P-C4'-P energy: -27.780
tors. eta vs tors. theta energy: 13.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -343.601499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.601499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.601499 (E_RNA)
where:
Base-Base interactions energy: -137.442
where: short stacking energy: -95.168
Base-Backbone interact. energy: -1.498
local terms energy: -204.661167
where:
bonds (distance) C4'-P energy: -56.832
bonds (distance) P-C4' energy: -50.397
flat angles C4'-P-C4' energy: -58.065
flat angles P-C4'-P energy: -33.985
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: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -255.576772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.576772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.576772 (E_RNA)
where:
Base-Base interactions energy: -82.190
where: short stacking energy: -64.252
Base-Backbone interact. energy: 0.775
local terms energy: -174.162301
where:
bonds (distance) C4'-P energy: -66.058
bonds (distance) P-C4' energy: -55.720
flat angles C4'-P-C4' energy: -40.105
flat angles P-C4'-P energy: -31.676
tors. eta vs tors. theta energy: 19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1097.338256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.338256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.338256 (E_RNA)
where:
Base-Base interactions energy: -728.641
where: short stacking energy: -336.517
Base-Backbone interact. energy: -0.912
local terms energy: -367.785441
where:
bonds (distance) C4'-P energy: -60.794
bonds (distance) P-C4' energy: -63.984
flat angles C4'-P-C4' energy: -76.406
flat angles P-C4'-P energy: -49.025
tors. eta vs tors. theta energy: -117.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1109.116736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.116736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.116736 (E_RNA)
where:
Base-Base interactions energy: -787.497
where: short stacking energy: -309.661
Base-Backbone interact. energy: 5.161
local terms energy: -326.781491
where:
bonds (distance) C4'-P energy: -52.866
bonds (distance) P-C4' energy: -60.634
flat angles C4'-P-C4' energy: -69.746
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -95.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1001.850468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.850468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.850468 (E_RNA)
where:
Base-Base interactions energy: -664.074
where: short stacking energy: -266.668
Base-Backbone interact. energy: -0.188
local terms energy: -337.588575
where:
bonds (distance) C4'-P energy: -63.920
bonds (distance) P-C4' energy: -67.474
flat angles C4'-P-C4' energy: -66.341
flat angles P-C4'-P energy: -52.213
tors. eta vs tors. theta energy: -87.641
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: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -944.820081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.820081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.820081 (E_RNA)
where:
Base-Base interactions energy: -621.615
where: short stacking energy: -279.371
Base-Backbone interact. energy: -0.675
local terms energy: -322.530318
where:
bonds (distance) C4'-P energy: -58.141
bonds (distance) P-C4' energy: -62.481
flat angles C4'-P-C4' energy: -68.834
flat angles P-C4'-P energy: -43.627
tors. eta vs tors. theta energy: -89.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -758.973672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.973672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.973672 (E_RNA)
where:
Base-Base interactions energy: -446.690
where: short stacking energy: -205.298
Base-Backbone interact. energy: -0.163
local terms energy: -312.121048
where:
bonds (distance) C4'-P energy: -71.283
bonds (distance) P-C4' energy: -74.062
flat angles C4'-P-C4' energy: -66.537
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -62.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -589.794630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.794630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.794630 (E_RNA)
where:
Base-Base interactions energy: -325.762
where: short stacking energy: -165.127
Base-Backbone interact. energy: 0.651
local terms energy: -264.683751
where:
bonds (distance) C4'-P energy: -51.901
bonds (distance) P-C4' energy: -63.510
flat angles C4'-P-C4' energy: -58.946
flat angles P-C4'-P energy: -46.045
tors. eta vs tors. theta energy: -44.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -369.516622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.516622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.516622 (E_RNA)
where:
Base-Base interactions energy: -158.612
where: short stacking energy: -105.616
Base-Backbone interact. energy: -0.837
local terms energy: -210.067293
where:
bonds (distance) C4'-P energy: -54.524
bonds (distance) P-C4' energy: -57.363
flat angles C4'-P-C4' energy: -58.501
flat angles P-C4'-P energy: -33.071
tors. eta vs tors. theta energy: -6.608
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: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -293.230718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.230718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.230718 (E_RNA)
where:
Base-Base interactions energy: -81.877
where: short stacking energy: -69.800
Base-Backbone interact. energy: 2.286
local terms energy: -213.639698
where:
bonds (distance) C4'-P energy: -59.182
bonds (distance) P-C4' energy: -70.156
flat angles C4'-P-C4' energy: -43.247
flat angles P-C4'-P energy: -41.445
tors. eta vs tors. theta energy: 0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -331.405583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.405583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.405583 (E_RNA)
where:
Base-Base interactions energy: -160.381
where: short stacking energy: -99.328
Base-Backbone interact. energy: -0.369
local terms energy: -170.655213
where:
bonds (distance) C4'-P energy: -52.543
bonds (distance) P-C4' energy: -58.228
flat angles C4'-P-C4' energy: -40.698
flat angles P-C4'-P energy: -27.390
tors. eta vs tors. theta energy: 8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -259.492315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.492315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.492315 (E_RNA)
where:
Base-Base interactions energy: -83.632
where: short stacking energy: -68.785
Base-Backbone interact. energy: 0.739
local terms energy: -176.599416
where:
bonds (distance) C4'-P energy: -43.180
bonds (distance) P-C4' energy: -59.187
flat angles C4'-P-C4' energy: -47.197
flat angles P-C4'-P energy: -31.091
tors. eta vs tors. theta energy: 4.056
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: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1084.829086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.829086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.829086 (E_RNA)
where:
Base-Base interactions energy: -718.606
where: short stacking energy: -323.832
Base-Backbone interact. energy: -1.099
local terms energy: -365.123718
where:
bonds (distance) C4'-P energy: -58.645
bonds (distance) P-C4' energy: -67.032
flat angles C4'-P-C4' energy: -80.128
flat angles P-C4'-P energy: -48.006
tors. eta vs tors. theta energy: -111.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1060.255879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.255879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.255879 (E_RNA)
where:
Base-Base interactions energy: -723.788
where: short stacking energy: -285.907
Base-Backbone interact. energy: -1.014
local terms energy: -335.453228
where:
bonds (distance) C4'-P energy: -60.298
bonds (distance) P-C4' energy: -77.709
flat angles C4'-P-C4' energy: -66.606
flat angles P-C4'-P energy: -46.537
tors. eta vs tors. theta energy: -84.303
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: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1001.710415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.710415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.710415 (E_RNA)
where:
Base-Base interactions energy: -670.961
where: short stacking energy: -286.747
Base-Backbone interact. energy: -0.655
local terms energy: -330.094139
where:
bonds (distance) C4'-P energy: -61.157
bonds (distance) P-C4' energy: -66.209
flat angles C4'-P-C4' energy: -70.877
flat angles P-C4'-P energy: -45.801
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: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -946.540190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.540190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.540190 (E_RNA)
where:
Base-Base interactions energy: -609.412
where: short stacking energy: -261.338
Base-Backbone interact. energy: -0.649
local terms energy: -336.478865
where:
bonds (distance) C4'-P energy: -56.336
bonds (distance) P-C4' energy: -66.602
flat angles C4'-P-C4' energy: -71.581
flat angles P-C4'-P energy: -45.142
tors. eta vs tors. theta energy: -96.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -799.234558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.234558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.234558 (E_RNA)
where:
Base-Base interactions energy: -477.920
where: short stacking energy: -233.640
Base-Backbone interact. energy: 1.486
local terms energy: -322.801303
where:
bonds (distance) C4'-P energy: -73.196
bonds (distance) P-C4' energy: -72.133
flat angles C4'-P-C4' energy: -62.828
flat angles P-C4'-P energy: -46.415
tors. eta vs tors. theta energy: -68.229
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: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -654.844402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.844402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.844402 (E_RNA)
where:
Base-Base interactions energy: -366.037
where: short stacking energy: -191.602
Base-Backbone interact. energy: -0.329
local terms energy: -288.477918
where:
bonds (distance) C4'-P energy: -74.508
bonds (distance) P-C4' energy: -68.076
flat angles C4'-P-C4' energy: -57.688
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -53.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -375.750241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.750241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.750241 (E_RNA)
where:
Base-Base interactions energy: -168.215
where: short stacking energy: -104.961
Base-Backbone interact. energy: -1.764
local terms energy: -205.771835
where:
bonds (distance) C4'-P energy: -52.776
bonds (distance) P-C4' energy: -56.880
flat angles C4'-P-C4' energy: -50.187
flat angles P-C4'-P energy: -36.085
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -305.500755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.500755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.500755 (E_RNA)
where:
Base-Base interactions energy: -133.486
where: short stacking energy: -72.207
Base-Backbone interact. energy: -0.235
local terms energy: -171.780094
where:
bonds (distance) C4'-P energy: -53.361
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: 14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -277.641971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.641971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.641971 (E_RNA)
where:
Base-Base interactions energy: -87.876
where: short stacking energy: -69.154
Base-Backbone interact. energy: -2.209
local terms energy: -187.557005
where:
bonds (distance) C4'-P energy: -62.379
bonds (distance) P-C4' energy: -60.891
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -31.942
tors. eta vs tors. theta energy: 3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -251.117000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.117000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.117000 (E_RNA)
where:
Base-Base interactions energy: -86.620
where: short stacking energy: -55.837
Base-Backbone interact. energy: 6.590
local terms energy: -171.087065
where:
bonds (distance) C4'-P energy: -61.369
bonds (distance) P-C4' energy: -61.445
flat angles C4'-P-C4' energy: -41.199
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: 13.174
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: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1099.070006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.070006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.070006 (E_RNA)
where:
Base-Base interactions energy: -763.907
where: short stacking energy: -309.516
Base-Backbone interact. energy: -3.286
local terms energy: -331.876887
where:
bonds (distance) C4'-P energy: -51.832
bonds (distance) P-C4' energy: -64.303
flat angles C4'-P-C4' energy: -75.377
flat angles P-C4'-P energy: -40.760
tors. eta vs tors. theta energy: -99.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1072.061495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.061495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.061495 (E_RNA)
where:
Base-Base interactions energy: -701.657
where: short stacking energy: -344.961
Base-Backbone interact. energy: -0.140
local terms energy: -370.265177
where:
bonds (distance) C4'-P energy: -62.567
bonds (distance) P-C4' energy: -70.083
flat angles C4'-P-C4' energy: -70.381
flat angles P-C4'-P energy: -54.423
tors. eta vs tors. theta energy: -112.812
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: 382
Temperature: 1.000000
Total energy: -1018.090843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.090843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.090843 (E_RNA)
where:
Base-Base interactions energy: -669.666
where: short stacking energy: -276.772
Base-Backbone interact. energy: -1.715
local terms energy: -346.709414
where:
bonds (distance) C4'-P energy: -73.465
bonds (distance) P-C4' energy: -67.121
flat angles C4'-P-C4' energy: -65.819
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: -94.416
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: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -920.988907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.988907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.988907 (E_RNA)
where:
Base-Base interactions energy: -583.042
where: short stacking energy: -254.708
Base-Backbone interact. energy: -0.552
local terms energy: -337.395168
where:
bonds (distance) C4'-P energy: -67.672
bonds (distance) P-C4' energy: -68.471
flat angles C4'-P-C4' energy: -70.387
flat angles P-C4'-P energy: -48.178
tors. eta vs tors. theta energy: -82.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -770.210162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.210162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.210162 (E_RNA)
where:
Base-Base interactions energy: -469.956
where: short stacking energy: -209.993
Base-Backbone interact. energy: -0.840
local terms energy: -304.266957
where:
bonds (distance) C4'-P energy: -66.516
bonds (distance) P-C4' energy: -56.655
flat angles C4'-P-C4' energy: -68.107
flat angles P-C4'-P energy: -45.894
tors. eta vs tors. theta energy: -67.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.853 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -654.779055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.779055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.779055 (E_RNA)
where:
Base-Base interactions energy: -397.773
where: short stacking energy: -173.576
Base-Backbone interact. energy: -0.665
local terms energy: -256.340798
where:
bonds (distance) C4'-P energy: -55.372
bonds (distance) P-C4' energy: -58.713
flat angles C4'-P-C4' energy: -59.946
flat angles P-C4'-P energy: -33.984
tors. eta vs tors. theta energy: -48.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -323.348883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.348883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.348883 (E_RNA)
where:
Base-Base interactions energy: -147.063
where: short stacking energy: -66.145
Base-Backbone interact. energy: -1.467
local terms energy: -174.819097
where:
bonds (distance) C4'-P energy: -54.515
bonds (distance) P-C4' energy: -61.217
flat angles C4'-P-C4' energy: -47.763
flat angles P-C4'-P energy: -26.862
tors. eta vs tors. theta energy: 15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -334.545534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.545534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.545534 (E_RNA)
where:
Base-Base interactions energy: -136.025
where: short stacking energy: -78.173
Base-Backbone interact. energy: -0.530
local terms energy: -197.990594
where:
bonds (distance) C4'-P energy: -58.422
bonds (distance) P-C4' energy: -59.860
flat angles C4'-P-C4' energy: -48.435
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: 0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -304.243760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.243760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.243760 (E_RNA)
where:
Base-Base interactions energy: -137.018
where: short stacking energy: -84.504
Base-Backbone interact. energy: -0.336
local terms energy: -166.889711
where:
bonds (distance) C4'-P energy: -52.407
bonds (distance) P-C4' energy: -49.827
flat angles C4'-P-C4' energy: -51.138
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: 4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -311.616302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.616302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.616302 (E_RNA)
where:
Base-Base interactions energy: -137.331
where: short stacking energy: -79.823
Base-Backbone interact. energy: -1.209
local terms energy: -173.076434
where:
bonds (distance) C4'-P energy: -49.429
bonds (distance) P-C4' energy: -50.648
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -35.964
tors. eta vs tors. theta energy: 0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1124.091766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.091766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.091766 (E_RNA)
where:
Base-Base interactions energy: -778.196
where: short stacking energy: -313.546
Base-Backbone interact. energy: -1.484
local terms energy: -344.411817
where:
bonds (distance) C4'-P energy: -59.539
bonds (distance) P-C4' energy: -70.073
flat angles C4'-P-C4' energy: -59.284
flat angles P-C4'-P energy: -48.145
tors. eta vs tors. theta energy: -107.371
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: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1060.796165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.796165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.796165 (E_RNA)
where:
Base-Base interactions energy: -698.133
where: short stacking energy: -316.802
Base-Backbone interact. energy: -0.867
local terms energy: -361.795892
where:
bonds (distance) C4'-P energy: -74.699
bonds (distance) P-C4' energy: -62.548
flat angles C4'-P-C4' energy: -68.645
flat angles P-C4'-P energy: -51.850
tors. eta vs tors. theta energy: -104.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -990.403340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.403340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.403340 (E_RNA)
where:
Base-Base interactions energy: -658.526
where: short stacking energy: -278.465
Base-Backbone interact. energy: 0.471
local terms energy: -332.348288
where:
bonds (distance) C4'-P energy: -66.088
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -71.703
flat angles P-C4'-P energy: -50.951
tors. eta vs tors. theta energy: -84.823
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: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -917.562036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.562036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.562036 (E_RNA)
where:
Base-Base interactions energy: -596.228
where: short stacking energy: -261.121
Base-Backbone interact. energy: -1.481
local terms energy: -319.853637
where:
bonds (distance) C4'-P energy: -46.613
bonds (distance) P-C4' energy: -72.187
flat angles C4'-P-C4' energy: -74.410
flat angles P-C4'-P energy: -43.514
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: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -769.409551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.409551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.409551 (E_RNA)
where:
Base-Base interactions energy: -474.563
where: short stacking energy: -208.892
Base-Backbone interact. energy: -3.182
local terms energy: -291.664485
where:
bonds (distance) C4'-P energy: -59.208
bonds (distance) P-C4' energy: -65.344
flat angles C4'-P-C4' energy: -64.370
flat angles P-C4'-P energy: -43.199
tors. eta vs tors. theta energy: -59.544
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: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -689.186333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.186333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.186333 (E_RNA)
where:
Base-Base interactions energy: -435.652
where: short stacking energy: -196.923
Base-Backbone interact. energy: -0.958
local terms energy: -252.575863
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -61.976
flat angles C4'-P-C4' energy: -51.002
flat angles P-C4'-P energy: -38.716
tors. eta vs tors. theta energy: -45.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -382.685375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.685375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.685375 (E_RNA)
where:
Base-Base interactions energy: -165.967
where: short stacking energy: -97.367
Base-Backbone interact. energy: -0.251
local terms energy: -216.467527
where:
bonds (distance) C4'-P energy: -51.805
bonds (distance) P-C4' energy: -64.970
flat angles C4'-P-C4' energy: -57.981
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -333.619196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.619196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.619196 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -101.918
Base-Backbone interact. energy: -1.475
local terms energy: -198.273614
where:
bonds (distance) C4'-P energy: -45.473
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -48.534
flat angles P-C4'-P energy: -26.703
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -333.397742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.397742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.397742 (E_RNA)
where:
Base-Base interactions energy: -125.176
where: short stacking energy: -87.997
Base-Backbone interact. energy: -0.553
local terms energy: -207.668637
where:
bonds (distance) C4'-P energy: -50.394
bonds (distance) P-C4' energy: -70.686
flat angles C4'-P-C4' energy: -52.428
flat angles P-C4'-P energy: -33.696
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -263.693836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.693836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.693836 (E_RNA)
where:
Base-Base interactions energy: -79.454
where: short stacking energy: -62.149
Base-Backbone interact. energy: 4.560
local terms energy: -188.800629
where:
bonds (distance) C4'-P energy: -50.554
bonds (distance) P-C4' energy: -58.049
flat angles C4'-P-C4' energy: -51.918
flat angles P-C4'-P energy: -35.246
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: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1114.471859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.471859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.471859 (E_RNA)
where:
Base-Base interactions energy: -759.666
where: short stacking energy: -315.593
Base-Backbone interact. energy: -3.677
local terms energy: -351.128469
where:
bonds (distance) C4'-P energy: -60.211
bonds (distance) P-C4' energy: -70.268
flat angles C4'-P-C4' energy: -75.144
flat angles P-C4'-P energy: -49.209
tors. eta vs tors. theta energy: -96.297
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: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1055.696180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.696180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.696180 (E_RNA)
where:
Base-Base interactions energy: -692.407
where: short stacking energy: -306.860
Base-Backbone interact. energy: -0.154
local terms energy: -363.135198
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -66.691
flat angles C4'-P-C4' energy: -77.630
flat angles P-C4'-P energy: -54.175
tors. eta vs tors. theta energy: -108.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1005.802105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.802105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.802105 (E_RNA)
where:
Base-Base interactions energy: -659.426
where: short stacking energy: -279.877
Base-Backbone interact. energy: 2.161
local terms energy: -348.536978
where:
bonds (distance) C4'-P energy: -64.446
bonds (distance) P-C4' energy: -67.388
flat angles C4'-P-C4' energy: -69.744
flat angles P-C4'-P energy: -54.372
tors. eta vs tors. theta energy: -92.587
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: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -933.057666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.057666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.057666 (E_RNA)
where:
Base-Base interactions energy: -610.821
where: short stacking energy: -270.618
Base-Backbone interact. energy: -0.830
local terms energy: -321.405872
where:
bonds (distance) C4'-P energy: -55.063
bonds (distance) P-C4' energy: -61.774
flat angles C4'-P-C4' energy: -75.792
flat angles P-C4'-P energy: -42.759
tors. eta vs tors. theta energy: -86.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -763.904713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.904713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.904713 (E_RNA)
where:
Base-Base interactions energy: -475.639
where: short stacking energy: -224.905
Base-Backbone interact. energy: -1.339
local terms energy: -286.926945
where:
bonds (distance) C4'-P energy: -61.463
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -60.395
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -66.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -690.251700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.251700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.251700 (E_RNA)
where:
Base-Base interactions energy: -420.829
where: short stacking energy: -162.796
Base-Backbone interact. energy: 0.043
local terms energy: -269.465130
where:
bonds (distance) C4'-P energy: -66.816
bonds (distance) P-C4' energy: -65.319
flat angles C4'-P-C4' energy: -61.822
flat angles P-C4'-P energy: -25.322
tors. eta vs tors. theta energy: -50.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -353.738388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.738388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.738388 (E_RNA)
where:
Base-Base interactions energy: -133.482
where: short stacking energy: -73.820
Base-Backbone interact. energy: 0.190
local terms energy: -220.446557
where:
bonds (distance) C4'-P energy: -68.008
bonds (distance) P-C4' energy: -65.083
flat angles C4'-P-C4' energy: -48.409
flat angles P-C4'-P energy: -37.126
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -300.382532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.382532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.382532 (E_RNA)
where:
Base-Base interactions energy: -92.071
where: short stacking energy: -83.583
Base-Backbone interact. energy: 1.028
local terms energy: -209.339606
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -74.729
flat angles C4'-P-C4' energy: -54.065
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -292.357985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.357985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.357985 (E_RNA)
where:
Base-Base interactions energy: -100.210
where: short stacking energy: -83.306
Base-Backbone interact. energy: -0.372
local terms energy: -191.775937
where:
bonds (distance) C4'-P energy: -61.390
bonds (distance) P-C4' energy: -58.779
flat angles C4'-P-C4' energy: -46.825
flat angles P-C4'-P energy: -30.749
tors. eta vs tors. theta energy: 5.968
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: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -271.875121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.875121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.875121 (E_RNA)
where:
Base-Base interactions energy: -99.188
where: short stacking energy: -70.730
Base-Backbone interact. energy: 1.673
local terms energy: -174.360200
where:
bonds (distance) C4'-P energy: -49.249
bonds (distance) P-C4' energy: -59.934
flat angles C4'-P-C4' energy: -41.923
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: 2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1107.954278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.954278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.954278 (E_RNA)
where:
Base-Base interactions energy: -772.804
where: short stacking energy: -307.785
Base-Backbone interact. energy: -1.607
local terms energy: -333.543666
where:
bonds (distance) C4'-P energy: -64.783
bonds (distance) P-C4' energy: -61.456
flat angles C4'-P-C4' energy: -67.634
flat angles P-C4'-P energy: -41.622
tors. eta vs tors. theta energy: -98.048
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: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1069.881517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.881517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.881517 (E_RNA)
where:
Base-Base interactions energy: -722.277
where: short stacking energy: -320.334
Base-Backbone interact. energy: -1.470
local terms energy: -346.134509
where:
bonds (distance) C4'-P energy: -58.018
bonds (distance) P-C4' energy: -66.546
flat angles C4'-P-C4' energy: -71.688
flat angles P-C4'-P energy: -48.240
tors. eta vs tors. theta energy: -101.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1002.506464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.506464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.506464 (E_RNA)
where:
Base-Base interactions energy: -666.392
where: short stacking energy: -276.192
Base-Backbone interact. energy: -1.441
local terms energy: -334.673152
where:
bonds (distance) C4'-P energy: -64.858
bonds (distance) P-C4' energy: -63.974
flat angles C4'-P-C4' energy: -76.721
flat angles P-C4'-P energy: -35.934
tors. eta vs tors. theta energy: -93.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -898.470492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.470492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.470492 (E_RNA)
where:
Base-Base interactions energy: -594.494
where: short stacking energy: -254.325
Base-Backbone interact. energy: 0.518
local terms energy: -305.636717
where:
bonds (distance) C4'-P energy: -58.262
bonds (distance) P-C4' energy: -66.157
flat angles C4'-P-C4' energy: -64.523
flat angles P-C4'-P energy: -45.492
tors. eta vs tors. theta energy: -71.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.142 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -788.563146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.563146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.563146 (E_RNA)
where:
Base-Base interactions energy: -500.039
where: short stacking energy: -217.834
Base-Backbone interact. energy: -2.365
local terms energy: -286.159854
where:
bonds (distance) C4'-P energy: -60.101
bonds (distance) P-C4' energy: -61.963
flat angles C4'-P-C4' energy: -66.872
flat angles P-C4'-P energy: -38.461
tors. eta vs tors. theta energy: -58.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -730.438793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.438793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.438793 (E_RNA)
where:
Base-Base interactions energy: -461.363
where: short stacking energy: -181.696
Base-Backbone interact. energy: -1.841
local terms energy: -267.234858
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -71.506
flat angles C4'-P-C4' energy: -62.642
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -45.609
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: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -448.834408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.834408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.834408 (E_RNA)
where:
Base-Base interactions energy: -211.228
where: short stacking energy: -124.287
Base-Backbone interact. energy: 0.597
local terms energy: -238.203525
where:
bonds (distance) C4'-P energy: -58.435
bonds (distance) P-C4' energy: -57.705
flat angles C4'-P-C4' energy: -57.576
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -33.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -296.105601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.105601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.105601 (E_RNA)
where:
Base-Base interactions energy: -116.147
where: short stacking energy: -80.225
Base-Backbone interact. energy: -2.168
local terms energy: -177.791327
where:
bonds (distance) C4'-P energy: -58.485
bonds (distance) P-C4' energy: -52.258
flat angles C4'-P-C4' energy: -35.454
flat angles P-C4'-P energy: -41.445
tors. eta vs tors. theta energy: 9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -319.390979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.390979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.390979 (E_RNA)
where:
Base-Base interactions energy: -125.054
where: short stacking energy: -79.218
Base-Backbone interact. energy: 0.579
local terms energy: -194.915911
where:
bonds (distance) C4'-P energy: -63.227
bonds (distance) P-C4' energy: -70.734
flat angles C4'-P-C4' energy: -37.483
flat angles P-C4'-P energy: -27.748
tors. eta vs tors. theta energy: 4.276
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: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -268.544619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.544619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.544619 (E_RNA)
where:
Base-Base interactions energy: -83.668
where: short stacking energy: -65.107
Base-Backbone interact. energy: 2.985
local terms energy: -187.861316
where:
bonds (distance) C4'-P energy: -58.375
bonds (distance) P-C4' energy: -46.869
flat angles C4'-P-C4' energy: -52.512
flat angles P-C4'-P energy: -32.473
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: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1085.317903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.317903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.317903 (E_RNA)
where:
Base-Base interactions energy: -747.105
where: short stacking energy: -302.900
Base-Backbone interact. energy: -3.906
local terms energy: -334.306478
where:
bonds (distance) C4'-P energy: -66.816
bonds (distance) P-C4' energy: -63.415
flat angles C4'-P-C4' energy: -72.128
flat angles P-C4'-P energy: -38.788
tors. eta vs tors. theta energy: -93.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1065.657410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.657410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.657410 (E_RNA)
where:
Base-Base interactions energy: -703.770
where: short stacking energy: -300.367
Base-Backbone interact. energy: -0.114
local terms energy: -361.773155
where:
bonds (distance) C4'-P energy: -74.927
bonds (distance) P-C4' energy: -71.378
flat angles C4'-P-C4' energy: -66.166
flat angles P-C4'-P energy: -45.081
tors. eta vs tors. theta energy: -104.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1012.430461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.430461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.430461 (E_RNA)
where:
Base-Base interactions energy: -662.650
where: short stacking energy: -260.767
Base-Backbone interact. energy: -0.444
local terms energy: -349.336212
where:
bonds (distance) C4'-P energy: -72.503
bonds (distance) P-C4' energy: -66.472
flat angles C4'-P-C4' energy: -69.009
flat angles P-C4'-P energy: -51.760
tors. eta vs tors. theta energy: -89.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -896.650782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.650782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.650782 (E_RNA)
where:
Base-Base interactions energy: -592.946
where: short stacking energy: -241.225
Base-Backbone interact. energy: -4.034
local terms energy: -299.671457
where:
bonds (distance) C4'-P energy: -56.114
bonds (distance) P-C4' energy: -64.375
flat angles C4'-P-C4' energy: -67.747
flat angles P-C4'-P energy: -45.325
tors. eta vs tors. theta energy: -66.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -787.882251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.882251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.882251 (E_RNA)
where:
Base-Base interactions energy: -481.868
where: short stacking energy: -218.414
Base-Backbone interact. energy: -2.424
local terms energy: -304.990396
where:
bonds (distance) C4'-P energy: -69.299
bonds (distance) P-C4' energy: -65.128
flat angles C4'-P-C4' energy: -67.701
flat angles P-C4'-P energy: -40.509
tors. eta vs tors. theta energy: -62.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.400 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -708.307926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.307926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.307926 (E_RNA)
where:
Base-Base interactions energy: -432.637
where: short stacking energy: -201.557
Base-Backbone interact. energy: 0.469
local terms energy: -276.139484
where:
bonds (distance) C4'-P energy: -44.456
bonds (distance) P-C4' energy: -65.231
flat angles C4'-P-C4' energy: -70.508
flat angles P-C4'-P energy: -40.317
tors. eta vs tors. theta energy: -55.626
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: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -471.530225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.530225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.530225 (E_RNA)
where:
Base-Base interactions energy: -238.009
where: short stacking energy: -122.946
Base-Backbone interact. energy: -1.181
local terms energy: -232.340004
where:
bonds (distance) C4'-P energy: -57.128
bonds (distance) P-C4' energy: -64.156
flat angles C4'-P-C4' energy: -54.941
flat angles P-C4'-P energy: -34.324
tors. eta vs tors. theta energy: -21.791
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: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -307.663051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.663051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.663051 (E_RNA)
where:
Base-Base interactions energy: -92.215
where: short stacking energy: -67.800
Base-Backbone interact. energy: -1.142
local terms energy: -214.306092
where:
bonds (distance) C4'-P energy: -57.393
bonds (distance) P-C4' energy: -74.963
flat angles C4'-P-C4' energy: -52.225
flat angles P-C4'-P energy: -44.886
tors. eta vs tors. theta energy: 15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -279.047446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.047446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.047446 (E_RNA)
where:
Base-Base interactions energy: -91.094
where: short stacking energy: -85.914
Base-Backbone interact. energy: -0.306
local terms energy: -187.647774
where:
bonds (distance) C4'-P energy: -58.110
bonds (distance) P-C4' energy: -63.038
flat angles C4'-P-C4' energy: -43.115
flat angles P-C4'-P energy: -30.217
tors. eta vs tors. theta energy: 6.832
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: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -291.193872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.193872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.193872 (E_RNA)
where:
Base-Base interactions energy: -92.121
where: short stacking energy: -72.770
Base-Backbone interact. energy: -0.630
local terms energy: -198.442949
where:
bonds (distance) C4'-P energy: -53.916
bonds (distance) P-C4' energy: -65.411
flat angles C4'-P-C4' energy: -53.309
flat angles P-C4'-P energy: -27.552
tors. eta vs tors. theta energy: 1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1082.092896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.092896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.092896 (E_RNA)
where:
Base-Base interactions energy: -717.123
where: short stacking energy: -286.686
Base-Backbone interact. energy: -2.389
local terms energy: -362.580612
where:
bonds (distance) C4'-P energy: -62.585
bonds (distance) P-C4' energy: -76.641
flat angles C4'-P-C4' energy: -78.290
flat angles P-C4'-P energy: -55.244
tors. eta vs tors. theta energy: -89.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1076.840812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.840812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.840812 (E_RNA)
where:
Base-Base interactions energy: -714.324
where: short stacking energy: -308.977
Base-Backbone interact. energy: -0.934
local terms energy: -361.582031
where:
bonds (distance) C4'-P energy: -62.066
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -76.831
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -109.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1018.674259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.674259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.674259 (E_RNA)
where:
Base-Base interactions energy: -688.492
where: short stacking energy: -294.426
Base-Backbone interact. energy: 3.971
local terms energy: -334.152944
where:
bonds (distance) C4'-P energy: -61.410
bonds (distance) P-C4' energy: -67.377
flat angles C4'-P-C4' energy: -72.724
flat angles P-C4'-P energy: -36.038
tors. eta vs tors. theta energy: -96.604
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: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -898.838377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.838377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.838377 (E_RNA)
where:
Base-Base interactions energy: -585.291
where: short stacking energy: -248.177
Base-Backbone interact. energy: -1.875
local terms energy: -311.672597
where:
bonds (distance) C4'-P energy: -58.275
bonds (distance) P-C4' energy: -73.338
flat angles C4'-P-C4' energy: -65.023
flat angles P-C4'-P energy: -43.219
tors. eta vs tors. theta energy: -71.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -832.152816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.152816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.152816 (E_RNA)
where:
Base-Base interactions energy: -541.349
where: short stacking energy: -221.470
Base-Backbone interact. energy: -1.919
local terms energy: -288.884478
where:
bonds (distance) C4'-P energy: -60.139
bonds (distance) P-C4' energy: -56.924
flat angles C4'-P-C4' energy: -65.321
flat angles P-C4'-P energy: -47.445
tors. eta vs tors. theta energy: -59.055
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: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -665.714591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.714591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.714591 (E_RNA)
where:
Base-Base interactions energy: -420.452
where: short stacking energy: -196.100
Base-Backbone interact. energy: -3.242
local terms energy: -242.020748
where:
bonds (distance) C4'-P energy: -60.411
bonds (distance) P-C4' energy: -59.283
flat angles C4'-P-C4' energy: -55.364
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -51.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -520.028484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.028484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.028484 (E_RNA)
where:
Base-Base interactions energy: -285.073
where: short stacking energy: -132.893
Base-Backbone interact. energy: -0.533
local terms energy: -234.421997
where:
bonds (distance) C4'-P energy: -53.657
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -52.259
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -28.380
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: 387
Temperature: 1.250000
Total energy: -314.940836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.940836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.940836 (E_RNA)
where:
Base-Base interactions energy: -134.163
where: short stacking energy: -88.976
Base-Backbone interact. energy: 5.594
local terms energy: -186.372208
where:
bonds (distance) C4'-P energy: -54.416
bonds (distance) P-C4' energy: -57.626
flat angles C4'-P-C4' energy: -39.355
flat angles P-C4'-P energy: -36.945
tors. eta vs tors. theta energy: 1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -297.090843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.090843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.090843 (E_RNA)
where:
Base-Base interactions energy: -101.791
where: short stacking energy: -76.614
Base-Backbone interact. energy: 2.517
local terms energy: -197.816591
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -65.205
flat angles C4'-P-C4' energy: -49.607
flat angles P-C4'-P energy: -33.963
tors. eta vs tors. theta energy: 4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -249.483981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.483981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.483981 (E_RNA)
where:
Base-Base interactions energy: -94.384
where: short stacking energy: -75.964
Base-Backbone interact. energy: 6.054
local terms energy: -161.153490
where:
bonds (distance) C4'-P energy: -44.413
bonds (distance) P-C4' energy: -62.471
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: 10.915
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: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1095.247384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.247384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.247384 (E_RNA)
where:
Base-Base interactions energy: -729.311
where: short stacking energy: -302.092
Base-Backbone interact. energy: -2.255
local terms energy: -363.681348
where:
bonds (distance) C4'-P energy: -65.819
bonds (distance) P-C4' energy: -72.874
flat angles C4'-P-C4' energy: -71.197
flat angles P-C4'-P energy: -56.415
tors. eta vs tors. theta energy: -97.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1060.493710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.493710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.493710 (E_RNA)
where:
Base-Base interactions energy: -701.049
where: short stacking energy: -300.969
Base-Backbone interact. energy: 0.707
local terms energy: -360.151884
where:
bonds (distance) C4'-P energy: -67.644
bonds (distance) P-C4' energy: -76.552
flat angles C4'-P-C4' energy: -71.045
flat angles P-C4'-P energy: -42.665
tors. eta vs tors. theta energy: -102.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -992.975163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.975163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.975163 (E_RNA)
where:
Base-Base interactions energy: -649.591
where: short stacking energy: -272.161
Base-Backbone interact. energy: -1.713
local terms energy: -341.671256
where:
bonds (distance) C4'-P energy: -67.661
bonds (distance) P-C4' energy: -66.468
flat angles C4'-P-C4' energy: -72.710
flat angles P-C4'-P energy: -44.350
tors. eta vs tors. theta energy: -90.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -847.387255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.387255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.387255 (E_RNA)
where:
Base-Base interactions energy: -516.575
where: short stacking energy: -238.552
Base-Backbone interact. energy: -0.998
local terms energy: -329.814315
where:
bonds (distance) C4'-P energy: -70.673
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -64.235
flat angles P-C4'-P energy: -47.124
tors. eta vs tors. theta energy: -86.384
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: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -833.381705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.381705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.381705 (E_RNA)
where:
Base-Base interactions energy: -533.819
where: short stacking energy: -215.221
Base-Backbone interact. energy: 0.238
local terms energy: -299.801521
where:
bonds (distance) C4'-P energy: -58.487
bonds (distance) P-C4' energy: -62.629
flat angles C4'-P-C4' energy: -71.932
flat angles P-C4'-P energy: -48.270
tors. eta vs tors. theta energy: -58.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -725.536681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.536681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.536681 (E_RNA)
where:
Base-Base interactions energy: -440.278
where: short stacking energy: -195.178
Base-Backbone interact. energy: -0.933
local terms energy: -284.325783
where:
bonds (distance) C4'-P energy: -45.761
bonds (distance) P-C4' energy: -68.487
flat angles C4'-P-C4' energy: -66.739
flat angles P-C4'-P energy: -44.285
tors. eta vs tors. theta energy: -59.055
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: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -530.747074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.747074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.747074 (E_RNA)
where:
Base-Base interactions energy: -299.837
where: short stacking energy: -135.471
Base-Backbone interact. energy: -0.084
local terms energy: -230.826481
where:
bonds (distance) C4'-P energy: -53.751
bonds (distance) P-C4' energy: -65.171
flat angles C4'-P-C4' energy: -50.760
flat angles P-C4'-P energy: -37.313
tors. eta vs tors. theta energy: -23.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -305.556027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.556027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.556027 (E_RNA)
where:
Base-Base interactions energy: -116.418
where: short stacking energy: -97.659
Base-Backbone interact. energy: -1.557
local terms energy: -187.580375
where:
bonds (distance) C4'-P energy: -57.504
bonds (distance) P-C4' energy: -63.216
flat angles C4'-P-C4' energy: -43.304
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: 2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -308.214543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.214543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.214543 (E_RNA)
where:
Base-Base interactions energy: -139.112
where: short stacking energy: -94.511
Base-Backbone interact. energy: -0.694
local terms energy: -168.408642
where:
bonds (distance) C4'-P energy: -26.475
bonds (distance) P-C4' energy: -66.137
flat angles C4'-P-C4' energy: -41.870
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -259.734587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.734587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.734587 (E_RNA)
where:
Base-Base interactions energy: -74.615
where: short stacking energy: -47.643
Base-Backbone interact. energy: 1.151
local terms energy: -186.269912
where:
bonds (distance) C4'-P energy: -55.685
bonds (distance) P-C4' energy: -65.812
flat angles C4'-P-C4' energy: -52.078
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: 15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1079.669918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.669918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.669918 (E_RNA)
where:
Base-Base interactions energy: -723.979
where: short stacking energy: -299.807
Base-Backbone interact. energy: -0.362
local terms energy: -355.329175
where:
bonds (distance) C4'-P energy: -67.338
bonds (distance) P-C4' energy: -70.285
flat angles C4'-P-C4' energy: -70.049
flat angles P-C4'-P energy: -49.526
tors. eta vs tors. theta energy: -98.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1071.232989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.232989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.232989 (E_RNA)
where:
Base-Base interactions energy: -724.112
where: short stacking energy: -310.845
Base-Backbone interact. energy: 0.106
local terms energy: -347.226430
where:
bonds (distance) C4'-P energy: -64.448
bonds (distance) P-C4' energy: -63.797
flat angles C4'-P-C4' energy: -71.070
flat angles P-C4'-P energy: -42.074
tors. eta vs tors. theta energy: -105.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1012.609653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.609653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.609653 (E_RNA)
where:
Base-Base interactions energy: -691.876
where: short stacking energy: -291.902
Base-Backbone interact. energy: -2.357
local terms energy: -318.377309
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -71.687
flat angles C4'-P-C4' energy: -71.489
flat angles P-C4'-P energy: -47.069
tors. eta vs tors. theta energy: -81.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -851.911568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.911568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.911568 (E_RNA)
where:
Base-Base interactions energy: -564.526
where: short stacking energy: -232.557
Base-Backbone interact. energy: -1.650
local terms energy: -285.735301
where:
bonds (distance) C4'-P energy: -68.869
bonds (distance) P-C4' energy: -50.884
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -43.264
tors. eta vs tors. theta energy: -62.253
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: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -804.448684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.448684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.448684 (E_RNA)
where:
Base-Base interactions energy: -505.531
where: short stacking energy: -225.151
Base-Backbone interact. energy: -0.462
local terms energy: -298.454946
where:
bonds (distance) C4'-P energy: -64.676
bonds (distance) P-C4' energy: -69.059
flat angles C4'-P-C4' energy: -55.121
flat angles P-C4'-P energy: -45.064
tors. eta vs tors. theta energy: -64.535
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: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -725.212477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.212477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.212477 (E_RNA)
where:
Base-Base interactions energy: -437.965
where: short stacking energy: -211.795
Base-Backbone interact. energy: 0.088
local terms energy: -287.335892
where:
bonds (distance) C4'-P energy: -57.437
bonds (distance) P-C4' energy: -54.622
flat angles C4'-P-C4' energy: -74.200
flat angles P-C4'-P energy: -36.837
tors. eta vs tors. theta energy: -64.240
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: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -522.645343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.645343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.645343 (E_RNA)
where:
Base-Base interactions energy: -293.263
where: short stacking energy: -152.671
Base-Backbone interact. energy: -1.354
local terms energy: -228.027775
where:
bonds (distance) C4'-P energy: -40.465
bonds (distance) P-C4' energy: -63.697
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -36.605
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: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -309.500065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.500065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.500065 (E_RNA)
where:
Base-Base interactions energy: -108.768
where: short stacking energy: -89.964
Base-Backbone interact. energy: -0.778
local terms energy: -199.954039
where:
bonds (distance) C4'-P energy: -59.451
bonds (distance) P-C4' energy: -69.990
flat angles C4'-P-C4' energy: -48.390
flat angles P-C4'-P energy: -28.892
tors. eta vs tors. theta energy: 6.769
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: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -294.136422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.136422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.136422 (E_RNA)
where:
Base-Base interactions energy: -119.567
where: short stacking energy: -69.036
Base-Backbone interact. energy: 4.484
local terms energy: -179.053591
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -73.925
flat angles C4'-P-C4' energy: -44.189
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: 20.888
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: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -282.192096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.192096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.192096 (E_RNA)
where:
Base-Base interactions energy: -99.918
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.066
local terms energy: -182.208017
where:
bonds (distance) C4'-P energy: -57.252
bonds (distance) P-C4' energy: -67.772
flat angles C4'-P-C4' energy: -54.290
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: 18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1107.331123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.331123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.331123 (E_RNA)
where:
Base-Base interactions energy: -753.893
where: short stacking energy: -312.334
Base-Backbone interact. energy: -3.292
local terms energy: -350.146364
where:
bonds (distance) C4'-P energy: -67.668
bonds (distance) P-C4' energy: -68.230
flat angles C4'-P-C4' energy: -71.088
flat angles P-C4'-P energy: -49.605
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: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1054.991410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.991410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.991410 (E_RNA)
where:
Base-Base interactions energy: -710.882
where: short stacking energy: -315.414
Base-Backbone interact. energy: -0.616
local terms energy: -343.493586
where:
bonds (distance) C4'-P energy: -61.888
bonds (distance) P-C4' energy: -63.664
flat angles C4'-P-C4' energy: -75.799
flat angles P-C4'-P energy: -40.219
tors. eta vs tors. theta energy: -101.924
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: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1010.032994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.032994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.032994 (E_RNA)
where:
Base-Base interactions energy: -653.572
where: short stacking energy: -271.815
Base-Backbone interact. energy: -1.415
local terms energy: -355.046029
where:
bonds (distance) C4'-P energy: -64.139
bonds (distance) P-C4' energy: -70.562
flat angles C4'-P-C4' energy: -68.304
flat angles P-C4'-P energy: -58.687
tors. eta vs tors. theta energy: -93.354
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: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -825.409552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.409552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.409552 (E_RNA)
where:
Base-Base interactions energy: -526.837
where: short stacking energy: -218.937
Base-Backbone interact. energy: 0.360
local terms energy: -298.932095
where:
bonds (distance) C4'-P energy: -67.165
bonds (distance) P-C4' energy: -63.623
flat angles C4'-P-C4' energy: -56.852
flat angles P-C4'-P energy: -51.731
tors. eta vs tors. theta energy: -59.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -820.005151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.005151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.005151 (E_RNA)
where:
Base-Base interactions energy: -528.975
where: short stacking energy: -228.850
Base-Backbone interact. energy: -0.272
local terms energy: -290.757820
where:
bonds (distance) C4'-P energy: -61.083
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -65.873
flat angles P-C4'-P energy: -46.773
tors. eta vs tors. theta energy: -61.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -701.410769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.410769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.410769 (E_RNA)
where:
Base-Base interactions energy: -428.026
where: short stacking energy: -204.841
Base-Backbone interact. energy: -0.164
local terms energy: -273.220665
where:
bonds (distance) C4'-P energy: -55.926
bonds (distance) P-C4' energy: -71.477
flat angles C4'-P-C4' energy: -66.744
flat angles P-C4'-P energy: -37.480
tors. eta vs tors. theta energy: -41.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -543.219754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.219754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.219754 (E_RNA)
where:
Base-Base interactions energy: -326.874
where: short stacking energy: -151.762
Base-Backbone interact. energy: -0.271
local terms energy: -216.074749
where:
bonds (distance) C4'-P energy: -46.183
bonds (distance) P-C4' energy: -56.736
flat angles C4'-P-C4' energy: -50.512
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -32.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -296.067433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.067433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.067433 (E_RNA)
where:
Base-Base interactions energy: -106.547
where: short stacking energy: -92.408
Base-Backbone interact. energy: 0.604
local terms energy: -190.124563
where:
bonds (distance) C4'-P energy: -45.779
bonds (distance) P-C4' energy: -61.862
flat angles C4'-P-C4' energy: -41.521
flat angles P-C4'-P energy: -33.130
tors. eta vs tors. theta energy: -7.833
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: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -287.378831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.378831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.378831 (E_RNA)
where:
Base-Base interactions energy: -124.126
where: short stacking energy: -70.824
Base-Backbone interact. energy: 1.154
local terms energy: -164.406465
where:
bonds (distance) C4'-P energy: -51.414
bonds (distance) P-C4' energy: -62.744
flat angles C4'-P-C4' energy: -48.237
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: 14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -279.614471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.614471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.614471 (E_RNA)
where:
Base-Base interactions energy: -97.535
where: short stacking energy: -68.901
Base-Backbone interact. energy: 0.946
local terms energy: -183.025161
where:
bonds (distance) C4'-P energy: -57.565
bonds (distance) P-C4' energy: -64.620
flat angles C4'-P-C4' energy: -43.894
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1105.023699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.023699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.023699 (E_RNA)
where:
Base-Base interactions energy: -756.233
where: short stacking energy: -305.065
Base-Backbone interact. energy: -2.456
local terms energy: -346.335201
where:
bonds (distance) C4'-P energy: -63.789
bonds (distance) P-C4' energy: -72.115
flat angles C4'-P-C4' energy: -73.005
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -95.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1080.034800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.034800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.034800 (E_RNA)
where:
Base-Base interactions energy: -704.286
where: short stacking energy: -316.948
Base-Backbone interact. energy: -0.197
local terms energy: -375.552403
where:
bonds (distance) C4'-P energy: -70.750
bonds (distance) P-C4' energy: -72.701
flat angles C4'-P-C4' energy: -81.498
flat angles P-C4'-P energy: -44.690
tors. eta vs tors. theta energy: -105.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1001.663453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.663453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.663453 (E_RNA)
where:
Base-Base interactions energy: -672.820
where: short stacking energy: -277.279
Base-Backbone interact. energy: 1.886
local terms energy: -330.729510
where:
bonds (distance) C4'-P energy: -60.982
bonds (distance) P-C4' energy: -60.350
flat angles C4'-P-C4' energy: -70.907
flat angles P-C4'-P energy: -48.244
tors. eta vs tors. theta energy: -90.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -883.577309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.577309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.577309 (E_RNA)
where:
Base-Base interactions energy: -551.117
where: short stacking energy: -244.093
Base-Backbone interact. energy: -0.063
local terms energy: -332.396999
where:
bonds (distance) C4'-P energy: -59.741
bonds (distance) P-C4' energy: -63.061
flat angles C4'-P-C4' energy: -79.113
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -86.579
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: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -775.795479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.795479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.795479 (E_RNA)
where:
Base-Base interactions energy: -487.867
where: short stacking energy: -218.464
Base-Backbone interact. energy: 0.478
local terms energy: -288.406479
where:
bonds (distance) C4'-P energy: -56.653
bonds (distance) P-C4' energy: -62.318
flat angles C4'-P-C4' energy: -65.395
flat angles P-C4'-P energy: -40.507
tors. eta vs tors. theta energy: -63.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -683.301890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.301890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.301890 (E_RNA)
where:
Base-Base interactions energy: -407.491
where: short stacking energy: -182.989
Base-Backbone interact. energy: -1.429
local terms energy: -274.382302
where:
bonds (distance) C4'-P energy: -64.915
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -66.360
flat angles P-C4'-P energy: -28.192
tors. eta vs tors. theta energy: -50.452
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: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -515.636812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.636812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.636812 (E_RNA)
where:
Base-Base interactions energy: -276.994
where: short stacking energy: -124.904
Base-Backbone interact. energy: -0.612
local terms energy: -238.031275
where:
bonds (distance) C4'-P energy: -54.066
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -66.318
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -28.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -309.250459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.250459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.250459 (E_RNA)
where:
Base-Base interactions energy: -128.913
where: short stacking energy: -92.614
Base-Backbone interact. energy: 6.440
local terms energy: -186.777836
where:
bonds (distance) C4'-P energy: -56.400
bonds (distance) P-C4' energy: -46.059
flat angles C4'-P-C4' energy: -50.402
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: 6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -309.320062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.320062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.320062 (E_RNA)
where:
Base-Base interactions energy: -107.499
where: short stacking energy: -58.600
Base-Backbone interact. energy: 0.042
local terms energy: -201.862464
where:
bonds (distance) C4'-P energy: -67.030
bonds (distance) P-C4' energy: -57.550
flat angles C4'-P-C4' energy: -50.723
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -2.264
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: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -273.626533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.626533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.626533 (E_RNA)
where:
Base-Base interactions energy: -90.928
where: short stacking energy: -69.500
Base-Backbone interact. energy: -1.110
local terms energy: -181.587728
where:
bonds (distance) C4'-P energy: -51.017
bonds (distance) P-C4' energy: -55.236
flat angles C4'-P-C4' energy: -48.331
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: 5.841
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: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1088.955458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.955458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.955458 (E_RNA)
where:
Base-Base interactions energy: -699.223
where: short stacking energy: -300.915
Base-Backbone interact. energy: -0.996
local terms energy: -388.735944
where:
bonds (distance) C4'-P energy: -77.941
bonds (distance) P-C4' energy: -75.478
flat angles C4'-P-C4' energy: -79.112
flat angles P-C4'-P energy: -52.005
tors. eta vs tors. theta energy: -104.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1069.633823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.633823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.633823 (E_RNA)
where:
Base-Base interactions energy: -734.811
where: short stacking energy: -285.475
Base-Backbone interact. energy: -2.680
local terms energy: -332.142654
where:
bonds (distance) C4'-P energy: -56.953
bonds (distance) P-C4' energy: -69.385
flat angles C4'-P-C4' energy: -69.711
flat angles P-C4'-P energy: -51.908
tors. eta vs tors. theta energy: -84.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -995.439273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.439273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.439273 (E_RNA)
where:
Base-Base interactions energy: -649.009
where: short stacking energy: -280.130
Base-Backbone interact. energy: -0.545
local terms energy: -345.885594
where:
bonds (distance) C4'-P energy: -64.116
bonds (distance) P-C4' energy: -63.057
flat angles C4'-P-C4' energy: -76.121
flat angles P-C4'-P energy: -48.322
tors. eta vs tors. theta energy: -94.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -909.110338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.110338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.110338 (E_RNA)
where:
Base-Base interactions energy: -566.832
where: short stacking energy: -270.487
Base-Backbone interact. energy: 0.801
local terms energy: -343.078568
where:
bonds (distance) C4'-P energy: -71.102
bonds (distance) P-C4' energy: -66.556
flat angles C4'-P-C4' energy: -73.136
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -89.396
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: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -781.102948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.102948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.102948 (E_RNA)
where:
Base-Base interactions energy: -505.279
where: short stacking energy: -194.682
Base-Backbone interact. energy: 0.911
local terms energy: -276.735460
where:
bonds (distance) C4'-P energy: -57.363
bonds (distance) P-C4' energy: -69.040
flat angles C4'-P-C4' energy: -65.582
flat angles P-C4'-P energy: -38.779
tors. eta vs tors. theta energy: -45.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -747.738609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.738609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.738609 (E_RNA)
where:
Base-Base interactions energy: -459.813
where: short stacking energy: -193.676
Base-Backbone interact. energy: -1.224
local terms energy: -286.701864
where:
bonds (distance) C4'-P energy: -64.081
bonds (distance) P-C4' energy: -68.471
flat angles C4'-P-C4' energy: -60.812
flat angles P-C4'-P energy: -43.331
tors. eta vs tors. theta energy: -50.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -571.562662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.562662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.562662 (E_RNA)
where:
Base-Base interactions energy: -344.728
where: short stacking energy: -147.389
Base-Backbone interact. energy: -1.137
local terms energy: -225.696870
where:
bonds (distance) C4'-P energy: -53.557
bonds (distance) P-C4' energy: -50.145
flat angles C4'-P-C4' energy: -46.495
flat angles P-C4'-P energy: -37.591
tors. eta vs tors. theta energy: -37.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -296.961505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.961505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.961505 (E_RNA)
where:
Base-Base interactions energy: -116.222
where: short stacking energy: -98.988
Base-Backbone interact. energy: 0.549
local terms energy: -181.288540
where:
bonds (distance) C4'-P energy: -37.642
bonds (distance) P-C4' energy: -60.078
flat angles C4'-P-C4' energy: -53.101
flat angles P-C4'-P energy: -33.317
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: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -274.560331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.560331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.560331 (E_RNA)
where:
Base-Base interactions energy: -92.953
where: short stacking energy: -62.841
Base-Backbone interact. energy: -3.594
local terms energy: -178.013193
where:
bonds (distance) C4'-P energy: -53.783
bonds (distance) P-C4' energy: -54.203
flat angles C4'-P-C4' energy: -49.034
flat angles P-C4'-P energy: -30.399
tors. eta vs tors. theta energy: 9.406
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: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -252.604409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.604409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.604409 (E_RNA)
where:
Base-Base interactions energy: -71.255
where: short stacking energy: -54.116
Base-Backbone interact. energy: -1.320
local terms energy: -180.029085
where:
bonds (distance) C4'-P energy: -54.608
bonds (distance) P-C4' energy: -66.231
flat angles C4'-P-C4' energy: -49.640
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: 12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1107.397574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.397574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.397574 (E_RNA)
where:
Base-Base interactions energy: -745.990
where: short stacking energy: -342.350
Base-Backbone interact. energy: -0.114
local terms energy: -361.294036
where:
bonds (distance) C4'-P energy: -62.847
bonds (distance) P-C4' energy: -56.439
flat angles C4'-P-C4' energy: -76.357
flat angles P-C4'-P energy: -54.928
tors. eta vs tors. theta energy: -110.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1055.326649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.326649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.326649 (E_RNA)
where:
Base-Base interactions energy: -710.768
where: short stacking energy: -292.864
Base-Backbone interact. energy: -0.354
local terms energy: -344.203956
where:
bonds (distance) C4'-P energy: -64.974
bonds (distance) P-C4' energy: -63.005
flat angles C4'-P-C4' energy: -69.825
flat angles P-C4'-P energy: -51.299
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: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1029.215498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.215498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.215498 (E_RNA)
where:
Base-Base interactions energy: -712.574
where: short stacking energy: -280.389
Base-Backbone interact. energy: -0.845
local terms energy: -315.796480
where:
bonds (distance) C4'-P energy: -62.292
bonds (distance) P-C4' energy: -71.461
flat angles C4'-P-C4' energy: -50.698
flat angles P-C4'-P energy: -36.516
tors. eta vs tors. theta energy: -94.830
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: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -923.242154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.242154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.242154 (E_RNA)
where:
Base-Base interactions energy: -614.448
where: short stacking energy: -276.960
Base-Backbone interact. energy: 0.954
local terms energy: -309.747979
where:
bonds (distance) C4'-P energy: -51.414
bonds (distance) P-C4' energy: -61.246
flat angles C4'-P-C4' energy: -65.360
flat angles P-C4'-P energy: -45.419
tors. eta vs tors. theta energy: -86.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -799.711805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.711805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.711805 (E_RNA)
where:
Base-Base interactions energy: -514.898
where: short stacking energy: -220.484
Base-Backbone interact. energy: 0.627
local terms energy: -285.441563
where:
bonds (distance) C4'-P energy: -55.715
bonds (distance) P-C4' energy: -52.296
flat angles C4'-P-C4' energy: -74.987
flat angles P-C4'-P energy: -39.781
tors. eta vs tors. theta energy: -62.663
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: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -724.021772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.021772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.021772 (E_RNA)
where:
Base-Base interactions energy: -445.207
where: short stacking energy: -206.250
Base-Backbone interact. energy: -1.075
local terms energy: -277.739917
where:
bonds (distance) C4'-P energy: -64.109
bonds (distance) P-C4' energy: -53.475
flat angles C4'-P-C4' energy: -56.917
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: -58.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -588.877051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.877051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.877051 (E_RNA)
where:
Base-Base interactions energy: -320.457
where: short stacking energy: -157.031
Base-Backbone interact. energy: -1.380
local terms energy: -267.039948
where:
bonds (distance) C4'-P energy: -70.416
bonds (distance) P-C4' energy: -61.756
flat angles C4'-P-C4' energy: -68.062
flat angles P-C4'-P energy: -39.972
tors. eta vs tors. theta energy: -26.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -307.883617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.883617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.883617 (E_RNA)
where:
Base-Base interactions energy: -112.391
where: short stacking energy: -62.160
Base-Backbone interact. energy: -1.707
local terms energy: -193.785279
where:
bonds (distance) C4'-P energy: -53.385
bonds (distance) P-C4' energy: -70.100
flat angles C4'-P-C4' energy: -42.091
flat angles P-C4'-P energy: -32.691
tors. eta vs tors. theta energy: 4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -274.338675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.338675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.338675 (E_RNA)
where:
Base-Base interactions energy: -100.899
where: short stacking energy: -76.980
Base-Backbone interact. energy: 0.152
local terms energy: -173.591831
where:
bonds (distance) C4'-P energy: -61.492
bonds (distance) P-C4' energy: -53.008
flat angles C4'-P-C4' energy: -32.243
flat angles P-C4'-P energy: -33.141
tors. eta vs tors. theta energy: 6.292
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: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -268.337935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.337935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.337935 (E_RNA)
where:
Base-Base interactions energy: -86.510
where: short stacking energy: -66.674
Base-Backbone interact. energy: -2.710
local terms energy: -179.118164
where:
bonds (distance) C4'-P energy: -45.666
bonds (distance) P-C4' energy: -54.149
flat angles C4'-P-C4' energy: -53.373
flat angles P-C4'-P energy: -30.914
tors. eta vs tors. theta energy: 4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1071.623972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.623972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.623972 (E_RNA)
where:
Base-Base interactions energy: -728.301
where: short stacking energy: -288.186
Base-Backbone interact. energy: -2.451
local terms energy: -340.872105
where:
bonds (distance) C4'-P energy: -70.984
bonds (distance) P-C4' energy: -66.927
flat angles C4'-P-C4' energy: -74.503
flat angles P-C4'-P energy: -42.496
tors. eta vs tors. theta energy: -85.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1081.292911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.292911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.292911 (E_RNA)
where:
Base-Base interactions energy: -719.296
where: short stacking energy: -315.323
Base-Backbone interact. energy: -0.151
local terms energy: -361.845961
where:
bonds (distance) C4'-P energy: -64.141
bonds (distance) P-C4' energy: -59.858
flat angles C4'-P-C4' energy: -72.822
flat angles P-C4'-P energy: -52.298
tors. eta vs tors. theta energy: -112.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1020.977470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.977470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.977470 (E_RNA)
where:
Base-Base interactions energy: -686.922
where: short stacking energy: -282.906
Base-Backbone interact. energy: -1.667
local terms energy: -332.388692
where:
bonds (distance) C4'-P energy: -63.156
bonds (distance) P-C4' energy: -67.481
flat angles C4'-P-C4' energy: -72.198
flat angles P-C4'-P energy: -43.402
tors. eta vs tors. theta energy: -86.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -883.450708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.450708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.450708 (E_RNA)
where:
Base-Base interactions energy: -547.521
where: short stacking energy: -262.714
Base-Backbone interact. energy: -1.235
local terms energy: -334.695028
where:
bonds (distance) C4'-P energy: -68.821
bonds (distance) P-C4' energy: -67.419
flat angles C4'-P-C4' energy: -72.739
flat angles P-C4'-P energy: -45.291
tors. eta vs tors. theta energy: -80.424
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: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -810.889634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.889634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.889634 (E_RNA)
where:
Base-Base interactions energy: -528.382
where: short stacking energy: -211.389
Base-Backbone interact. energy: -1.919
local terms energy: -280.588890
where:
bonds (distance) C4'-P energy: -60.693
bonds (distance) P-C4' energy: -64.916
flat angles C4'-P-C4' energy: -56.809
flat angles P-C4'-P energy: -45.470
tors. eta vs tors. theta energy: -52.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -676.517544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.517544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.517544 (E_RNA)
where:
Base-Base interactions energy: -398.920
where: short stacking energy: -183.718
Base-Backbone interact. energy: 1.806
local terms energy: -279.403387
where:
bonds (distance) C4'-P energy: -60.989
bonds (distance) P-C4' energy: -72.508
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -55.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -531.082505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.082505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.082505 (E_RNA)
where:
Base-Base interactions energy: -294.234
where: short stacking energy: -148.243
Base-Backbone interact. energy: -0.644
local terms energy: -236.204346
where:
bonds (distance) C4'-P energy: -64.404
bonds (distance) P-C4' energy: -70.103
flat angles C4'-P-C4' energy: -50.688
flat angles P-C4'-P energy: -27.951
tors. eta vs tors. theta energy: -23.059
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: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -305.931866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.931866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.931866 (E_RNA)
where:
Base-Base interactions energy: -114.176
where: short stacking energy: -81.314
Base-Backbone interact. energy: -0.032
local terms energy: -191.723372
where:
bonds (distance) C4'-P energy: -52.350
bonds (distance) P-C4' energy: -60.081
flat angles C4'-P-C4' energy: -55.084
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: 3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -280.835188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.835188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.835188 (E_RNA)
where:
Base-Base interactions energy: -99.973
where: short stacking energy: -81.441
Base-Backbone interact. energy: 1.313
local terms energy: -182.175629
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -59.329
flat angles C4'-P-C4' energy: -48.348
flat angles P-C4'-P energy: -29.770
tors. eta vs tors. theta energy: 6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -264.813974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.813974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.813974 (E_RNA)
where:
Base-Base interactions energy: -81.544
where: short stacking energy: -64.659
Base-Backbone interact. energy: -0.411
local terms energy: -183.284569
where:
bonds (distance) C4'-P energy: -59.446
bonds (distance) P-C4' energy: -57.600
flat angles C4'-P-C4' energy: -46.613
flat angles P-C4'-P energy: -31.513
tors. eta vs tors. theta energy: 11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.426 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1073.385066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.385066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.385066 (E_RNA)
where:
Base-Base interactions energy: -718.566
where: short stacking energy: -289.383
Base-Backbone interact. energy: -2.108
local terms energy: -352.711545
where:
bonds (distance) C4'-P energy: -75.458
bonds (distance) P-C4' energy: -64.086
flat angles C4'-P-C4' energy: -73.015
flat angles P-C4'-P energy: -49.362
tors. eta vs tors. theta energy: -90.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1062.441610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.441610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.441610 (E_RNA)
where:
Base-Base interactions energy: -686.980
where: short stacking energy: -315.920
Base-Backbone interact. energy: -0.371
local terms energy: -375.090975
where:
bonds (distance) C4'-P energy: -64.305
bonds (distance) P-C4' energy: -75.326
flat angles C4'-P-C4' energy: -83.671
flat angles P-C4'-P energy: -43.455
tors. eta vs tors. theta energy: -108.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1016.782859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.782859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.782859 (E_RNA)
where:
Base-Base interactions energy: -697.027
where: short stacking energy: -288.196
Base-Backbone interact. energy: 1.198
local terms energy: -320.953650
where:
bonds (distance) C4'-P energy: -64.582
bonds (distance) P-C4' energy: -62.651
flat angles C4'-P-C4' energy: -66.361
flat angles P-C4'-P energy: -43.655
tors. eta vs tors. theta energy: -83.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -853.866809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.866809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.866809 (E_RNA)
where:
Base-Base interactions energy: -565.710
where: short stacking energy: -245.841
Base-Backbone interact. energy: 0.228
local terms energy: -288.384850
where:
bonds (distance) C4'-P energy: -58.083
bonds (distance) P-C4' energy: -61.366
flat angles C4'-P-C4' energy: -61.851
flat angles P-C4'-P energy: -39.734
tors. eta vs tors. theta energy: -67.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -866.814324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.814324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.814324 (E_RNA)
where:
Base-Base interactions energy: -542.869
where: short stacking energy: -239.663
Base-Backbone interact. energy: -2.532
local terms energy: -321.412562
where:
bonds (distance) C4'-P energy: -70.399
bonds (distance) P-C4' energy: -63.743
flat angles C4'-P-C4' energy: -59.586
flat angles P-C4'-P energy: -40.982
tors. eta vs tors. theta energy: -86.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -670.389998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.389998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.389998 (E_RNA)
where:
Base-Base interactions energy: -400.351
where: short stacking energy: -185.807
Base-Backbone interact. energy: -1.759
local terms energy: -268.280109
where:
bonds (distance) C4'-P energy: -65.211
bonds (distance) P-C4' energy: -66.408
flat angles C4'-P-C4' energy: -57.952
flat angles P-C4'-P energy: -24.267
tors. eta vs tors. theta energy: -54.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -582.240789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.240789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.240789 (E_RNA)
where:
Base-Base interactions energy: -355.279
where: short stacking energy: -171.385
Base-Backbone interact. energy: -0.525
local terms energy: -226.436317
where:
bonds (distance) C4'-P energy: -53.444
bonds (distance) P-C4' energy: -42.751
flat angles C4'-P-C4' energy: -57.655
flat angles P-C4'-P energy: -27.019
tors. eta vs tors. theta energy: -45.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -302.172509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.172509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.172509 (E_RNA)
where:
Base-Base interactions energy: -88.299
where: short stacking energy: -81.701
Base-Backbone interact. energy: 0.365
local terms energy: -214.238390
where:
bonds (distance) C4'-P energy: -59.602
bonds (distance) P-C4' energy: -62.455
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -34.883
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -282.673504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.673504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.673504 (E_RNA)
where:
Base-Base interactions energy: -120.300
where: short stacking energy: -66.765
Base-Backbone interact. energy: 4.888
local terms energy: -167.261521
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -60.913
flat angles C4'-P-C4' energy: -39.923
flat angles P-C4'-P energy: -35.846
tors. eta vs tors. theta energy: 21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -260.746378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.746378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.746378 (E_RNA)
where:
Base-Base interactions energy: -76.686
where: short stacking energy: -41.864
Base-Backbone interact. energy: -0.355
local terms energy: -183.704833
where:
bonds (distance) C4'-P energy: -64.504
bonds (distance) P-C4' energy: -60.822
flat angles C4'-P-C4' energy: -40.525
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: 14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1085.839991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.839991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.839991 (E_RNA)
where:
Base-Base interactions energy: -744.007
where: short stacking energy: -297.012
Base-Backbone interact. energy: -0.620
local terms energy: -341.213233
where:
bonds (distance) C4'-P energy: -62.528
bonds (distance) P-C4' energy: -66.716
flat angles C4'-P-C4' energy: -69.151
flat angles P-C4'-P energy: -47.587
tors. eta vs tors. theta energy: -95.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1094.823703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.823703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.823703 (E_RNA)
where:
Base-Base interactions energy: -716.380
where: short stacking energy: -316.247
Base-Backbone interact. energy: -0.674
local terms energy: -377.769833
where:
bonds (distance) C4'-P energy: -66.036
bonds (distance) P-C4' energy: -61.325
flat angles C4'-P-C4' energy: -82.924
flat angles P-C4'-P energy: -51.973
tors. eta vs tors. theta energy: -115.512
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: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1012.019713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.019713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.019713 (E_RNA)
where:
Base-Base interactions energy: -681.222
where: short stacking energy: -274.635
Base-Backbone interact. energy: 0.260
local terms energy: -331.058220
where:
bonds (distance) C4'-P energy: -57.875
bonds (distance) P-C4' energy: -64.459
flat angles C4'-P-C4' energy: -70.535
flat angles P-C4'-P energy: -47.396
tors. eta vs tors. theta energy: -90.794
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: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -861.167179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.167179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.167179 (E_RNA)
where:
Base-Base interactions energy: -552.862
where: short stacking energy: -252.883
Base-Backbone interact. energy: -0.787
local terms energy: -307.518339
where:
bonds (distance) C4'-P energy: -60.365
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -67.480
flat angles P-C4'-P energy: -43.523
tors. eta vs tors. theta energy: -69.633
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: 396
Temperature: 1.100000
Total energy: -854.402815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.402815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.402815 (E_RNA)
where:
Base-Base interactions energy: -547.188
where: short stacking energy: -253.956
Base-Backbone interact. energy: -1.755
local terms energy: -306.049416
where:
bonds (distance) C4'-P energy: -52.797
bonds (distance) P-C4' energy: -59.509
flat angles C4'-P-C4' energy: -69.518
flat angles P-C4'-P energy: -50.146
tors. eta vs tors. theta energy: -74.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.589 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -626.137961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.137961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.137961 (E_RNA)
where:
Base-Base interactions energy: -387.252
where: short stacking energy: -168.268
Base-Backbone interact. energy: 4.487
local terms energy: -243.511341
where:
bonds (distance) C4'-P energy: -55.118
bonds (distance) P-C4' energy: -56.360
flat angles C4'-P-C4' energy: -59.327
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -37.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.138 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -565.316191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.316191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.316191 (E_RNA)
where:
Base-Base interactions energy: -325.665
where: short stacking energy: -158.442
Base-Backbone interact. energy: 0.247
local terms energy: -239.898460
where:
bonds (distance) C4'-P energy: -52.536
bonds (distance) P-C4' energy: -56.035
flat angles C4'-P-C4' energy: -60.719
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: -34.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -307.562240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.562240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.562240 (E_RNA)
where:
Base-Base interactions energy: -94.508
where: short stacking energy: -85.495
Base-Backbone interact. energy: 3.331
local terms energy: -216.385467
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -69.044
flat angles C4'-P-C4' energy: -55.561
flat angles P-C4'-P energy: -34.973
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -289.491127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.491127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.491127 (E_RNA)
where:
Base-Base interactions energy: -96.366
where: short stacking energy: -74.781
Base-Backbone interact. energy: 5.585
local terms energy: -198.710107
where:
bonds (distance) C4'-P energy: -57.005
bonds (distance) P-C4' energy: -69.926
flat angles C4'-P-C4' energy: -47.205
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: 12.777
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: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -274.638332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.638332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.638332 (E_RNA)
where:
Base-Base interactions energy: -93.062
where: short stacking energy: -74.178
Base-Backbone interact. energy: 2.438
local terms energy: -184.014474
where:
bonds (distance) C4'-P energy: -56.093
bonds (distance) P-C4' energy: -58.079
flat angles C4'-P-C4' energy: -47.237
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1090.249888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.249888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.249888 (E_RNA)
where:
Base-Base interactions energy: -749.071
where: short stacking energy: -300.740
Base-Backbone interact. energy: -0.592
local terms energy: -340.586659
where:
bonds (distance) C4'-P energy: -60.441
bonds (distance) P-C4' energy: -69.919
flat angles C4'-P-C4' energy: -70.324
flat angles P-C4'-P energy: -50.964
tors. eta vs tors. theta energy: -88.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1093.130817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.130817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.130817 (E_RNA)
where:
Base-Base interactions energy: -723.684
where: short stacking energy: -338.326
Base-Backbone interact. energy: -0.506
local terms energy: -368.939960
where:
bonds (distance) C4'-P energy: -64.521
bonds (distance) P-C4' energy: -61.780
flat angles C4'-P-C4' energy: -76.422
flat angles P-C4'-P energy: -45.658
tors. eta vs tors. theta energy: -120.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1009.521865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.521865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.521865 (E_RNA)
where:
Base-Base interactions energy: -670.640
where: short stacking energy: -274.675
Base-Backbone interact. energy: -1.730
local terms energy: -337.151632
where:
bonds (distance) C4'-P energy: -68.492
bonds (distance) P-C4' energy: -60.655
flat angles C4'-P-C4' energy: -75.033
flat angles P-C4'-P energy: -46.083
tors. eta vs tors. theta energy: -86.889
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: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -824.601095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.601095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.601095 (E_RNA)
where:
Base-Base interactions energy: -518.247
where: short stacking energy: -214.410
Base-Backbone interact. energy: -1.666
local terms energy: -304.688150
where:
bonds (distance) C4'-P energy: -58.625
bonds (distance) P-C4' energy: -66.049
flat angles C4'-P-C4' energy: -66.817
flat angles P-C4'-P energy: -52.829
tors. eta vs tors. theta energy: -60.369
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: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -846.367562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.367562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.367562 (E_RNA)
where:
Base-Base interactions energy: -546.385
where: short stacking energy: -226.256
Base-Backbone interact. energy: -0.854
local terms energy: -299.128396
where:
bonds (distance) C4'-P energy: -58.738
bonds (distance) P-C4' energy: -65.488
flat angles C4'-P-C4' energy: -63.395
flat angles P-C4'-P energy: -42.123
tors. eta vs tors. theta energy: -69.384
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: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -649.075389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.075389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.075389 (E_RNA)
where:
Base-Base interactions energy: -389.507
where: short stacking energy: -189.234
Base-Backbone interact. energy: -0.869
local terms energy: -258.699390
where:
bonds (distance) C4'-P energy: -46.958
bonds (distance) P-C4' energy: -69.320
flat angles C4'-P-C4' energy: -60.058
flat angles P-C4'-P energy: -39.941
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: 397
Temperature: 1.200000
Total energy: -573.453657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.453657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.453657 (E_RNA)
where:
Base-Base interactions energy: -334.375
where: short stacking energy: -165.764
Base-Backbone interact. energy: -2.093
local terms energy: -236.985951
where:
bonds (distance) C4'-P energy: -43.127
bonds (distance) P-C4' energy: -63.496
flat angles C4'-P-C4' energy: -48.686
flat angles P-C4'-P energy: -45.288
tors. eta vs tors. theta energy: -36.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -298.736922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.736922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.736922 (E_RNA)
where:
Base-Base interactions energy: -105.659
where: short stacking energy: -91.542
Base-Backbone interact. energy: -0.122
local terms energy: -192.955905
where:
bonds (distance) C4'-P energy: -52.317
bonds (distance) P-C4' energy: -54.318
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -35.082
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -277.592722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.592722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.592722 (E_RNA)
where:
Base-Base interactions energy: -79.858
where: short stacking energy: -71.774
Base-Backbone interact. energy: 0.517
local terms energy: -198.251230
where:
bonds (distance) C4'-P energy: -54.924
bonds (distance) P-C4' energy: -67.505
flat angles C4'-P-C4' energy: -43.168
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -252.980879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.980879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.980879 (E_RNA)
where:
Base-Base interactions energy: -69.340
where: short stacking energy: -52.645
Base-Backbone interact. energy: -1.009
local terms energy: -182.631617
where:
bonds (distance) C4'-P energy: -51.454
bonds (distance) P-C4' energy: -53.235
flat angles C4'-P-C4' energy: -51.556
flat angles P-C4'-P energy: -37.030
tors. eta vs tors. theta energy: 10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1088.785269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.785269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.785269 (E_RNA)
where:
Base-Base interactions energy: -730.271
where: short stacking energy: -324.499
Base-Backbone interact. energy: -0.561
local terms energy: -357.952495
where:
bonds (distance) C4'-P energy: -61.863
bonds (distance) P-C4' energy: -69.533
flat angles C4'-P-C4' energy: -65.306
flat angles P-C4'-P energy: -49.562
tors. eta vs tors. theta energy: -111.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1060.011913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.011913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.011913 (E_RNA)
where:
Base-Base interactions energy: -722.012
where: short stacking energy: -288.571
Base-Backbone interact. energy: -2.731
local terms energy: -335.269455
where:
bonds (distance) C4'-P energy: -55.799
bonds (distance) P-C4' energy: -70.033
flat angles C4'-P-C4' energy: -70.083
flat angles P-C4'-P energy: -45.765
tors. eta vs tors. theta energy: -93.589
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: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -984.420562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.420562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.420562 (E_RNA)
where:
Base-Base interactions energy: -663.713
where: short stacking energy: -274.479
Base-Backbone interact. energy: -0.850
local terms energy: -319.857364
where:
bonds (distance) C4'-P energy: -63.818
bonds (distance) P-C4' energy: -60.663
flat angles C4'-P-C4' energy: -62.564
flat angles P-C4'-P energy: -42.507
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: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -779.034903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.034903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.034903 (E_RNA)
where:
Base-Base interactions energy: -508.205
where: short stacking energy: -216.941
Base-Backbone interact. energy: -1.656
local terms energy: -269.173345
where:
bonds (distance) C4'-P energy: -69.897
bonds (distance) P-C4' energy: -64.847
flat angles C4'-P-C4' energy: -66.190
flat angles P-C4'-P energy: -31.839
tors. eta vs tors. theta energy: -36.400
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: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -869.249184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.249184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.249184 (E_RNA)
where:
Base-Base interactions energy: -552.184
where: short stacking energy: -254.365
Base-Backbone interact. energy: -1.042
local terms energy: -316.023205
where:
bonds (distance) C4'-P energy: -57.726
bonds (distance) P-C4' energy: -62.354
flat angles C4'-P-C4' energy: -68.450
flat angles P-C4'-P energy: -49.317
tors. eta vs tors. theta energy: -78.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -674.389218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.389218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.389218 (E_RNA)
where:
Base-Base interactions energy: -411.978
where: short stacking energy: -182.681
Base-Backbone interact. energy: 1.702
local terms energy: -264.112599
where:
bonds (distance) C4'-P energy: -50.228
bonds (distance) P-C4' energy: -68.515
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -38.899
tors. eta vs tors. theta energy: -48.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -492.585832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.585832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.585832 (E_RNA)
where:
Base-Base interactions energy: -275.431
where: short stacking energy: -137.942
Base-Backbone interact. energy: -0.756
local terms energy: -216.503622
where:
bonds (distance) C4'-P energy: -51.993
bonds (distance) P-C4' energy: -60.617
flat angles C4'-P-C4' energy: -46.127
flat angles P-C4'-P energy: -30.619
tors. eta vs tors. theta energy: -27.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.105 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -285.912363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.912363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.912363 (E_RNA)
where:
Base-Base interactions energy: -81.404
where: short stacking energy: -62.161
Base-Backbone interact. energy: -2.302
local terms energy: -202.206224
where:
bonds (distance) C4'-P energy: -50.241
bonds (distance) P-C4' energy: -70.236
flat angles C4'-P-C4' energy: -56.285
flat angles P-C4'-P energy: -26.811
tors. eta vs tors. theta energy: 1.366
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: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -304.747772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.747772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.747772 (E_RNA)
where:
Base-Base interactions energy: -123.616
where: short stacking energy: -67.371
Base-Backbone interact. energy: -0.137
local terms energy: -180.994525
where:
bonds (distance) C4'-P energy: -49.008
bonds (distance) P-C4' energy: -55.092
flat angles C4'-P-C4' energy: -46.439
flat angles P-C4'-P energy: -31.780
tors. eta vs tors. theta energy: 1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -245.821611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.821611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.821611 (E_RNA)
where:
Base-Base interactions energy: -68.249
where: short stacking energy: -64.538
Base-Backbone interact. energy: -0.461
local terms energy: -177.112256
where:
bonds (distance) C4'-P energy: -51.853
bonds (distance) P-C4' energy: -62.295
flat angles C4'-P-C4' energy: -50.141
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: 22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1099.913833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.913833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.913833 (E_RNA)
where:
Base-Base interactions energy: -738.307
where: short stacking energy: -321.121
Base-Backbone interact. energy: 0.015
local terms energy: -361.621178
where:
bonds (distance) C4'-P energy: -64.461
bonds (distance) P-C4' energy: -56.287
flat angles C4'-P-C4' energy: -83.764
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: -111.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1045.991132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.991132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.991132 (E_RNA)
where:
Base-Base interactions energy: -696.716
where: short stacking energy: -272.742
Base-Backbone interact. energy: -3.212
local terms energy: -346.063326
where:
bonds (distance) C4'-P energy: -74.116
bonds (distance) P-C4' energy: -57.113
flat angles C4'-P-C4' energy: -73.002
flat angles P-C4'-P energy: -51.810
tors. eta vs tors. theta energy: -90.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -987.893143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.893143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.893143 (E_RNA)
where:
Base-Base interactions energy: -661.030
where: short stacking energy: -256.125
Base-Backbone interact. energy: -4.716
local terms energy: -322.147211
where:
bonds (distance) C4'-P energy: -60.013
bonds (distance) P-C4' energy: -72.126
flat angles C4'-P-C4' energy: -56.448
flat angles P-C4'-P energy: -54.336
tors. eta vs tors. theta energy: -79.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -846.521760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.521760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.521760 (E_RNA)
where:
Base-Base interactions energy: -541.358
where: short stacking energy: -241.457
Base-Backbone interact. energy: -0.879
local terms energy: -304.285035
where:
bonds (distance) C4'-P energy: -49.350
bonds (distance) P-C4' energy: -60.728
flat angles C4'-P-C4' energy: -64.360
flat angles P-C4'-P energy: -59.539
tors. eta vs tors. theta energy: -70.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -736.365199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.365199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.365199 (E_RNA)
where:
Base-Base interactions energy: -479.206
where: short stacking energy: -202.766
Base-Backbone interact. energy: -1.610
local terms energy: -255.549075
where:
bonds (distance) C4'-P energy: -56.216
bonds (distance) P-C4' energy: -63.979
flat angles C4'-P-C4' energy: -62.798
flat angles P-C4'-P energy: -38.249
tors. eta vs tors. theta energy: -34.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -717.674787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.674787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.674787 (E_RNA)
where:
Base-Base interactions energy: -446.708
where: short stacking energy: -206.051
Base-Backbone interact. energy: -0.795
local terms energy: -270.171866
where:
bonds (distance) C4'-P energy: -60.158
bonds (distance) P-C4' energy: -51.484
flat angles C4'-P-C4' energy: -60.972
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: -60.365
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: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -438.089306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.089306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.089306 (E_RNA)
where:
Base-Base interactions energy: -225.175
where: short stacking energy: -118.120
Base-Backbone interact. energy: -0.574
local terms energy: -212.339777
where:
bonds (distance) C4'-P energy: -52.174
bonds (distance) P-C4' energy: -68.728
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -35.321
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: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -302.003211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.003211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.003211 (E_RNA)
where:
Base-Base interactions energy: -107.635
where: short stacking energy: -95.918
Base-Backbone interact. energy: 3.639
local terms energy: -200.386257
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -60.875
flat angles C4'-P-C4' energy: -50.040
flat angles P-C4'-P energy: -34.795
tors. eta vs tors. theta energy: 3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.379 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -295.723121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.723121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.723121 (E_RNA)
where:
Base-Base interactions energy: -108.043
where: short stacking energy: -79.980
Base-Backbone interact. energy: 1.188
local terms energy: -188.868527
where:
bonds (distance) C4'-P energy: -51.166
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -53.610
flat angles P-C4'-P energy: -33.532
tors. eta vs tors. theta energy: 9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -266.157442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.157442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.157442 (E_RNA)
where:
Base-Base interactions energy: -100.568
where: short stacking energy: -72.976
Base-Backbone interact. energy: 2.168
local terms energy: -167.757459
where:
bonds (distance) C4'-P energy: -51.111
bonds (distance) P-C4' energy: -57.260
flat angles C4'-P-C4' energy: -60.441
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: 13.778
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: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1113.839755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.839755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.839755 (E_RNA)
where:
Base-Base interactions energy: -730.140
where: short stacking energy: -325.960
Base-Backbone interact. energy: 0.054
local terms energy: -383.753910
where:
bonds (distance) C4'-P energy: -65.340
bonds (distance) P-C4' energy: -79.244
flat angles C4'-P-C4' energy: -77.608
flat angles P-C4'-P energy: -50.263
tors. eta vs tors. theta energy: -111.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1070.055437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.055437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.055437 (E_RNA)
where:
Base-Base interactions energy: -725.158
where: short stacking energy: -276.448
Base-Backbone interact. energy: -1.259
local terms energy: -343.637976
where:
bonds (distance) C4'-P energy: -68.634
bonds (distance) P-C4' energy: -66.060
flat angles C4'-P-C4' energy: -74.924
flat angles P-C4'-P energy: -38.595
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: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1009.812921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.812921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.812921 (E_RNA)
where:
Base-Base interactions energy: -682.733
where: short stacking energy: -277.534
Base-Backbone interact. energy: -0.625
local terms energy: -326.454614
where:
bonds (distance) C4'-P energy: -55.651
bonds (distance) P-C4' energy: -61.510
flat angles C4'-P-C4' energy: -65.382
flat angles P-C4'-P energy: -47.822
tors. eta vs tors. theta energy: -96.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -872.616136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.616136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.616136 (E_RNA)
where:
Base-Base interactions energy: -554.374
where: short stacking energy: -247.066
Base-Backbone interact. energy: -0.629
local terms energy: -317.613951
where:
bonds (distance) C4'-P energy: -67.895
bonds (distance) P-C4' energy: -61.410
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -69.956
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: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -699.306519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.306519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.306519 (E_RNA)
where:
Base-Base interactions energy: -439.577
where: short stacking energy: -203.177
Base-Backbone interact. energy: -0.188
local terms energy: -259.541675
where:
bonds (distance) C4'-P energy: -49.425
bonds (distance) P-C4' energy: -60.434
flat angles C4'-P-C4' energy: -68.632
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -44.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -739.092455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.092455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.092455 (E_RNA)
where:
Base-Base interactions energy: -473.952
where: short stacking energy: -202.172
Base-Backbone interact. energy: -1.142
local terms energy: -263.998627
where:
bonds (distance) C4'-P energy: -49.816
bonds (distance) P-C4' energy: -57.710
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -48.755
tors. eta vs tors. theta energy: -58.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -409.480387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.480387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.480387 (E_RNA)
where:
Base-Base interactions energy: -183.246
where: short stacking energy: -136.432
Base-Backbone interact. energy: 4.658
local terms energy: -230.892520
where:
bonds (distance) C4'-P energy: -61.378
bonds (distance) P-C4' energy: -65.573
flat angles C4'-P-C4' energy: -49.041
flat angles P-C4'-P energy: -32.188
tors. eta vs tors. theta energy: -22.713
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: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -299.843883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.843883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.843883 (E_RNA)
where:
Base-Base interactions energy: -86.160
where: short stacking energy: -79.798
Base-Backbone interact. energy: -0.866
local terms energy: -212.817758
where:
bonds (distance) C4'-P energy: -60.641
bonds (distance) P-C4' energy: -61.093
flat angles C4'-P-C4' energy: -48.608
flat angles P-C4'-P energy: -43.811
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -290.837423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.837423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.837423 (E_RNA)
where:
Base-Base interactions energy: -81.522
where: short stacking energy: -71.891
Base-Backbone interact. energy: 0.341
local terms energy: -209.656126
where:
bonds (distance) C4'-P energy: -49.225
bonds (distance) P-C4' energy: -67.752
flat angles C4'-P-C4' energy: -64.898
flat angles P-C4'-P energy: -28.198
tors. eta vs tors. theta energy: 0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -249.744591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.744591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.744591 (E_RNA)
where:
Base-Base interactions energy: -66.362
where: short stacking energy: -46.137
Base-Backbone interact. energy: 2.864
local terms energy: -186.245937
where:
bonds (distance) C4'-P energy: -59.039
bonds (distance) P-C4' energy: -62.823
flat angles C4'-P-C4' energy: -43.876
flat angles P-C4'-P energy: -33.547
tors. eta vs tors. theta energy: 13.039
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: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1080.826505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.826505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.826505 (E_RNA)
where:
Base-Base interactions energy: -727.892
where: short stacking energy: -317.960
Base-Backbone interact. energy: -0.980
local terms energy: -351.954482
where:
bonds (distance) C4'-P energy: -60.146
bonds (distance) P-C4' energy: -69.254
flat angles C4'-P-C4' energy: -71.284
flat angles P-C4'-P energy: -46.803
tors. eta vs tors. theta energy: -104.467
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: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1070.258107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.258107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.258107 (E_RNA)
where:
Base-Base interactions energy: -743.220
where: short stacking energy: -300.177
Base-Backbone interact. energy: -2.036
local terms energy: -325.002046
where:
bonds (distance) C4'-P energy: -65.901
bonds (distance) P-C4' energy: -58.796
flat angles C4'-P-C4' energy: -68.306
flat angles P-C4'-P energy: -40.394
tors. eta vs tors. theta energy: -91.605
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: 401
Temperature: 1.000000
Total energy: -983.372398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.372398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.372398 (E_RNA)
where:
Base-Base interactions energy: -661.692
where: short stacking energy: -273.574
Base-Backbone interact. energy: -0.329
local terms energy: -321.351736
where:
bonds (distance) C4'-P energy: -59.687
bonds (distance) P-C4' energy: -56.318
flat angles C4'-P-C4' energy: -72.177
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -90.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -880.729340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.729340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.729340 (E_RNA)
where:
Base-Base interactions energy: -555.616
where: short stacking energy: -250.739
Base-Backbone interact. energy: -1.137
local terms energy: -323.976706
where:
bonds (distance) C4'-P energy: -62.126
bonds (distance) P-C4' energy: -73.791
flat angles C4'-P-C4' energy: -75.199
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -77.135
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: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -738.356050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.356050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.356050 (E_RNA)
where:
Base-Base interactions energy: -451.961
where: short stacking energy: -215.511
Base-Backbone interact. energy: -0.821
local terms energy: -285.574102
where:
bonds (distance) C4'-P energy: -56.228
bonds (distance) P-C4' energy: -59.508
flat angles C4'-P-C4' energy: -61.259
flat angles P-C4'-P energy: -43.477
tors. eta vs tors. theta energy: -65.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -706.343940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.343940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.343940 (E_RNA)
where:
Base-Base interactions energy: -457.665
where: short stacking energy: -190.462
Base-Backbone interact. energy: -1.368
local terms energy: -247.310168
where:
bonds (distance) C4'-P energy: -54.882
bonds (distance) P-C4' energy: -58.710
flat angles C4'-P-C4' energy: -55.442
flat angles P-C4'-P energy: -35.629
tors. eta vs tors. theta energy: -42.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -406.581136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.581136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.581136 (E_RNA)
where:
Base-Base interactions energy: -190.572
where: short stacking energy: -104.706
Base-Backbone interact. energy: 2.622
local terms energy: -218.631467
where:
bonds (distance) C4'-P energy: -59.513
bonds (distance) P-C4' energy: -63.259
flat angles C4'-P-C4' energy: -47.784
flat angles P-C4'-P energy: -44.754
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -329.423473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.423473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.423473 (E_RNA)
where:
Base-Base interactions energy: -118.937
where: short stacking energy: -88.259
Base-Backbone interact. energy: 0.566
local terms energy: -211.052351
where:
bonds (distance) C4'-P energy: -49.849
bonds (distance) P-C4' energy: -63.773
flat angles C4'-P-C4' energy: -65.413
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -3.621
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: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -296.192415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.192415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.192415 (E_RNA)
where:
Base-Base interactions energy: -101.217
where: short stacking energy: -53.300
Base-Backbone interact. energy: -0.499
local terms energy: -194.476251
where:
bonds (distance) C4'-P energy: -68.205
bonds (distance) P-C4' energy: -57.751
flat angles C4'-P-C4' energy: -42.815
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: 6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -252.176756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.176756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.176756 (E_RNA)
where:
Base-Base interactions energy: -80.923
where: short stacking energy: -65.240
Base-Backbone interact. energy: 1.250
local terms energy: -172.503475
where:
bonds (distance) C4'-P energy: -59.428
bonds (distance) P-C4' energy: -46.603
flat angles C4'-P-C4' energy: -54.842
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: 11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1091.515448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.515448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.515448 (E_RNA)
where:
Base-Base interactions energy: -745.377
where: short stacking energy: -296.249
Base-Backbone interact. energy: -2.003
local terms energy: -344.135535
where:
bonds (distance) C4'-P energy: -69.761
bonds (distance) P-C4' energy: -61.896
flat angles C4'-P-C4' energy: -75.143
flat angles P-C4'-P energy: -46.860
tors. eta vs tors. theta energy: -90.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1056.705826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.705826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.705826 (E_RNA)
where:
Base-Base interactions energy: -701.629
where: short stacking energy: -318.081
Base-Backbone interact. energy: 0.523
local terms energy: -355.599783
where:
bonds (distance) C4'-P energy: -58.416
bonds (distance) P-C4' energy: -66.751
flat angles C4'-P-C4' energy: -72.128
flat angles P-C4'-P energy: -56.938
tors. eta vs tors. theta energy: -101.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -969.153379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.153379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.153379 (E_RNA)
where:
Base-Base interactions energy: -650.749
where: short stacking energy: -252.047
Base-Backbone interact. energy: -1.993
local terms energy: -316.822274
where:
bonds (distance) C4'-P energy: -64.955
bonds (distance) P-C4' energy: -60.014
flat angles C4'-P-C4' energy: -65.962
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -87.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.410 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -886.167111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.167111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.167111 (E_RNA)
where:
Base-Base interactions energy: -553.411
where: short stacking energy: -250.885
Base-Backbone interact. energy: -1.627
local terms energy: -331.128784
where:
bonds (distance) C4'-P energy: -75.791
bonds (distance) P-C4' energy: -59.069
flat angles C4'-P-C4' energy: -73.541
flat angles P-C4'-P energy: -43.173
tors. eta vs tors. theta energy: -79.555
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: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -726.024680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.024680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.024680 (E_RNA)
where:
Base-Base interactions energy: -469.670
where: short stacking energy: -186.467
Base-Backbone interact. energy: 1.439
local terms energy: -257.793535
where:
bonds (distance) C4'-P energy: -54.138
bonds (distance) P-C4' energy: -67.178
flat angles C4'-P-C4' energy: -56.431
flat angles P-C4'-P energy: -36.033
tors. eta vs tors. theta energy: -44.014
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: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -708.568553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.568553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.568553 (E_RNA)
where:
Base-Base interactions energy: -435.241
where: short stacking energy: -198.646
Base-Backbone interact. energy: -1.920
local terms energy: -272.230651
where:
bonds (distance) C4'-P energy: -51.087
bonds (distance) P-C4' energy: -50.637
flat angles C4'-P-C4' energy: -68.930
flat angles P-C4'-P energy: -42.635
tors. eta vs tors. theta energy: -58.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.823 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -455.080082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.080082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.080082 (E_RNA)
where:
Base-Base interactions energy: -231.616
where: short stacking energy: -126.781
Base-Backbone interact. energy: 1.517
local terms energy: -224.980652
where:
bonds (distance) C4'-P energy: -62.554
bonds (distance) P-C4' energy: -63.886
flat angles C4'-P-C4' energy: -46.060
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -307.169335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.169335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.169335 (E_RNA)
where:
Base-Base interactions energy: -120.448
where: short stacking energy: -66.115
Base-Backbone interact. energy: 2.774
local terms energy: -189.495227
where:
bonds (distance) C4'-P energy: -60.247
bonds (distance) P-C4' energy: -60.252
flat angles C4'-P-C4' energy: -44.841
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: 15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -273.209353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.209353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.209353 (E_RNA)
where:
Base-Base interactions energy: -106.354
where: short stacking energy: -81.610
Base-Backbone interact. energy: 0.585
local terms energy: -167.440524
where:
bonds (distance) C4'-P energy: -46.104
bonds (distance) P-C4' energy: -62.099
flat angles C4'-P-C4' energy: -47.135
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: 13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -263.317887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.317887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.317887 (E_RNA)
where:
Base-Base interactions energy: -103.932
where: short stacking energy: -69.831
Base-Backbone interact. energy: 3.592
local terms energy: -163.100023
where:
bonds (distance) C4'-P energy: -58.458
bonds (distance) P-C4' energy: -50.557
flat angles C4'-P-C4' energy: -50.368
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: 20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.122 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1098.508325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.508325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.508325 (E_RNA)
where:
Base-Base interactions energy: -750.145
where: short stacking energy: -288.067
Base-Backbone interact. energy: 1.246
local terms energy: -349.608864
where:
bonds (distance) C4'-P energy: -67.832
bonds (distance) P-C4' energy: -78.208
flat angles C4'-P-C4' energy: -66.167
flat angles P-C4'-P energy: -46.727
tors. eta vs tors. theta energy: -90.675
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: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1063.134434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.134434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.134434 (E_RNA)
where:
Base-Base interactions energy: -682.691
where: short stacking energy: -307.636
Base-Backbone interact. energy: -2.170
local terms energy: -378.273086
where:
bonds (distance) C4'-P energy: -70.661
bonds (distance) P-C4' energy: -70.109
flat angles C4'-P-C4' energy: -76.555
flat angles P-C4'-P energy: -56.004
tors. eta vs tors. theta energy: -104.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -982.461861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.461861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.461861 (E_RNA)
where:
Base-Base interactions energy: -663.319
where: short stacking energy: -247.554
Base-Backbone interact. energy: -1.410
local terms energy: -318.743329
where:
bonds (distance) C4'-P energy: -64.631
bonds (distance) P-C4' energy: -60.948
flat angles C4'-P-C4' energy: -66.983
flat angles P-C4'-P energy: -43.955
tors. eta vs tors. theta energy: -82.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.010 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -888.958888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.958888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.958888 (E_RNA)
where:
Base-Base interactions energy: -573.962
where: short stacking energy: -248.069
Base-Backbone interact. energy: -0.965
local terms energy: -314.031779
where:
bonds (distance) C4'-P energy: -71.444
bonds (distance) P-C4' energy: -43.246
flat angles C4'-P-C4' energy: -70.790
flat angles P-C4'-P energy: -46.434
tors. eta vs tors. theta energy: -82.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -755.640023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.640023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.640023 (E_RNA)
where:
Base-Base interactions energy: -498.288
where: short stacking energy: -191.792
Base-Backbone interact. energy: -0.929
local terms energy: -256.423551
where:
bonds (distance) C4'-P energy: -58.788
bonds (distance) P-C4' energy: -56.225
flat angles C4'-P-C4' energy: -59.733
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -45.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -687.929162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.929162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.929162 (E_RNA)
where:
Base-Base interactions energy: -432.831
where: short stacking energy: -207.619
Base-Backbone interact. energy: -0.408
local terms energy: -257.067503
where:
bonds (distance) C4'-P energy: -62.469
bonds (distance) P-C4' energy: -54.137
flat angles C4'-P-C4' energy: -55.027
flat angles P-C4'-P energy: -40.871
tors. eta vs tors. theta energy: -44.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.377 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -461.960125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.960125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.960125 (E_RNA)
where:
Base-Base interactions energy: -227.393
where: short stacking energy: -113.956
Base-Backbone interact. energy: 0.209
local terms energy: -234.775974
where:
bonds (distance) C4'-P energy: -61.784
bonds (distance) P-C4' energy: -55.335
flat angles C4'-P-C4' energy: -59.650
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -289.693101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.693101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.693101 (E_RNA)
where:
Base-Base interactions energy: -103.710
where: short stacking energy: -83.783
Base-Backbone interact. energy: 2.458
local terms energy: -188.440545
where:
bonds (distance) C4'-P energy: -54.428
bonds (distance) P-C4' energy: -58.671
flat angles C4'-P-C4' energy: -41.289
flat angles P-C4'-P energy: -30.953
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -267.587824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.587824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.587824 (E_RNA)
where:
Base-Base interactions energy: -88.186
where: short stacking energy: -73.067
Base-Backbone interact. energy: 1.882
local terms energy: -181.283411
where:
bonds (distance) C4'-P energy: -49.132
bonds (distance) P-C4' energy: -59.678
flat angles C4'-P-C4' energy: -49.249
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: 7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -276.490130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.490130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.490130 (E_RNA)
where:
Base-Base interactions energy: -78.627
where: short stacking energy: -61.208
Base-Backbone interact. energy: -1.031
local terms energy: -196.832082
where:
bonds (distance) C4'-P energy: -59.056
bonds (distance) P-C4' energy: -53.345
flat angles C4'-P-C4' energy: -57.500
flat angles P-C4'-P energy: -29.221
tors. eta vs tors. theta energy: 2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1139.109451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.109451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.109451 (E_RNA)
where:
Base-Base interactions energy: -790.514
where: short stacking energy: -301.074
Base-Backbone interact. energy: -2.623
local terms energy: -345.971744
where:
bonds (distance) C4'-P energy: -57.113
bonds (distance) P-C4' energy: -70.567
flat angles C4'-P-C4' energy: -68.442
flat angles P-C4'-P energy: -53.680
tors. eta vs tors. theta energy: -96.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1067.494744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.494744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.494744 (E_RNA)
where:
Base-Base interactions energy: -703.342
where: short stacking energy: -312.108
Base-Backbone interact. energy: -0.324
local terms energy: -363.828818
where:
bonds (distance) C4'-P energy: -67.123
bonds (distance) P-C4' energy: -70.168
flat angles C4'-P-C4' energy: -69.728
flat angles P-C4'-P energy: -52.123
tors. eta vs tors. theta energy: -104.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -978.340138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.340138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.340138 (E_RNA)
where:
Base-Base interactions energy: -664.782
where: short stacking energy: -264.757
Base-Backbone interact. energy: -1.353
local terms energy: -312.204876
where:
bonds (distance) C4'-P energy: -56.002
bonds (distance) P-C4' energy: -65.044
flat angles C4'-P-C4' energy: -70.421
flat angles P-C4'-P energy: -33.093
tors. eta vs tors. theta energy: -87.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -882.813893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.813893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.813893 (E_RNA)
where:
Base-Base interactions energy: -572.752
where: short stacking energy: -275.250
Base-Backbone interact. energy: -0.213
local terms energy: -309.849050
where:
bonds (distance) C4'-P energy: -49.736
bonds (distance) P-C4' energy: -60.451
flat angles C4'-P-C4' energy: -65.732
flat angles P-C4'-P energy: -44.764
tors. eta vs tors. theta energy: -89.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -793.254880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.254880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.254880 (E_RNA)
where:
Base-Base interactions energy: -536.264
where: short stacking energy: -219.506
Base-Backbone interact. energy: -2.118
local terms energy: -254.872862
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -67.847
flat angles C4'-P-C4' energy: -56.831
flat angles P-C4'-P energy: -41.760
tors. eta vs tors. theta energy: -35.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -746.488724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.488724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.488724 (E_RNA)
where:
Base-Base interactions energy: -459.341
where: short stacking energy: -205.756
Base-Backbone interact. energy: 3.455
local terms energy: -290.603014
where:
bonds (distance) C4'-P energy: -63.365
bonds (distance) P-C4' energy: -63.010
flat angles C4'-P-C4' energy: -65.543
flat angles P-C4'-P energy: -38.908
tors. eta vs tors. theta energy: -59.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -471.521078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.521078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.521078 (E_RNA)
where:
Base-Base interactions energy: -247.486
where: short stacking energy: -122.691
Base-Backbone interact. energy: -0.937
local terms energy: -223.098594
where:
bonds (distance) C4'-P energy: -40.552
bonds (distance) P-C4' energy: -70.716
flat angles C4'-P-C4' energy: -59.462
flat angles P-C4'-P energy: -31.598
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -290.570918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.570918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.570918 (E_RNA)
where:
Base-Base interactions energy: -77.081
where: short stacking energy: -64.945
Base-Backbone interact. energy: 0.560
local terms energy: -214.049739
where:
bonds (distance) C4'-P energy: -57.749
bonds (distance) P-C4' energy: -60.535
flat angles C4'-P-C4' energy: -57.280
flat angles P-C4'-P energy: -40.444
tors. eta vs tors. theta energy: 1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -294.027393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.027393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.027393 (E_RNA)
where:
Base-Base interactions energy: -99.831
where: short stacking energy: -74.205
Base-Backbone interact. energy: -0.535
local terms energy: -193.661742
where:
bonds (distance) C4'-P energy: -52.323
bonds (distance) P-C4' energy: -67.333
flat angles C4'-P-C4' energy: -53.065
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: 6.452
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: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -263.193687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.193687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.193687 (E_RNA)
where:
Base-Base interactions energy: -91.723
where: short stacking energy: -82.750
Base-Backbone interact. energy: -0.912
local terms energy: -170.559062
where:
bonds (distance) C4'-P energy: -39.483
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -60.137
flat angles P-C4'-P energy: -37.074
tors. eta vs tors. theta energy: 6.688
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: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1114.792146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.792146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.792146 (E_RNA)
where:
Base-Base interactions energy: -768.000
where: short stacking energy: -304.555
Base-Backbone interact. energy: 0.376
local terms energy: -347.168132
where:
bonds (distance) C4'-P energy: -64.620
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -71.694
flat angles P-C4'-P energy: -50.762
tors. eta vs tors. theta energy: -91.685
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: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1057.502075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.502075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.502075 (E_RNA)
where:
Base-Base interactions energy: -705.519
where: short stacking energy: -298.717
Base-Backbone interact. energy: -2.987
local terms energy: -348.996282
where:
bonds (distance) C4'-P energy: -66.168
bonds (distance) P-C4' energy: -65.881
flat angles C4'-P-C4' energy: -70.074
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -108.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -982.526563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.526563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.526563 (E_RNA)
where:
Base-Base interactions energy: -652.907
where: short stacking energy: -279.553
Base-Backbone interact. energy: -0.771
local terms energy: -328.848011
where:
bonds (distance) C4'-P energy: -62.432
bonds (distance) P-C4' energy: -68.149
flat angles C4'-P-C4' energy: -57.708
flat angles P-C4'-P energy: -55.283
tors. eta vs tors. theta energy: -85.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -903.992301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.992301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.992301 (E_RNA)
where:
Base-Base interactions energy: -566.640
where: short stacking energy: -270.082
Base-Backbone interact. energy: -0.708
local terms energy: -336.643713
where:
bonds (distance) C4'-P energy: -58.353
bonds (distance) P-C4' energy: -66.125
flat angles C4'-P-C4' energy: -71.652
flat angles P-C4'-P energy: -53.297
tors. eta vs tors. theta energy: -87.216
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: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -789.629749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.629749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.629749 (E_RNA)
where:
Base-Base interactions energy: -523.392
where: short stacking energy: -200.608
Base-Backbone interact. energy: -2.411
local terms energy: -263.826245
where:
bonds (distance) C4'-P energy: -57.355
bonds (distance) P-C4' energy: -67.908
flat angles C4'-P-C4' energy: -62.914
flat angles P-C4'-P energy: -37.812
tors. eta vs tors. theta energy: -37.838
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: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -714.429072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.429072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.429072 (E_RNA)
where:
Base-Base interactions energy: -460.684
where: short stacking energy: -199.863
Base-Backbone interact. energy: -0.247
local terms energy: -255.300298
where:
bonds (distance) C4'-P energy: -52.473
bonds (distance) P-C4' energy: -55.986
flat angles C4'-P-C4' energy: -56.729
flat angles P-C4'-P energy: -31.671
tors. eta vs tors. theta energy: -58.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.802 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -451.962509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.962509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.962509 (E_RNA)
where:
Base-Base interactions energy: -238.547
where: short stacking energy: -114.949
Base-Backbone interact. energy: -1.990
local terms energy: -211.425596
where:
bonds (distance) C4'-P energy: -47.836
bonds (distance) P-C4' energy: -67.392
flat angles C4'-P-C4' energy: -52.502
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -14.679
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: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -344.038310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.038310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.038310 (E_RNA)
where:
Base-Base interactions energy: -138.517
where: short stacking energy: -88.076
Base-Backbone interact. energy: -1.485
local terms energy: -204.036447
where:
bonds (distance) C4'-P energy: -54.489
bonds (distance) P-C4' energy: -65.359
flat angles C4'-P-C4' energy: -46.965
flat angles P-C4'-P energy: -31.501
tors. eta vs tors. theta energy: -5.723
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: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -307.668780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.668780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.668780 (E_RNA)
where:
Base-Base interactions energy: -128.925
where: short stacking energy: -67.446
Base-Backbone interact. energy: -0.424
local terms energy: -178.319840
where:
bonds (distance) C4'-P energy: -59.185
bonds (distance) P-C4' energy: -65.816
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: 2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -264.660866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.660866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.660866 (E_RNA)
where:
Base-Base interactions energy: -95.347
where: short stacking energy: -65.013
Base-Backbone interact. energy: 0.123
local terms energy: -169.436655
where:
bonds (distance) C4'-P energy: -35.307
bonds (distance) P-C4' energy: -54.467
flat angles C4'-P-C4' energy: -57.751
flat angles P-C4'-P energy: -38.264
tors. eta vs tors. theta energy: 16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1116.534487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.534487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.534487 (E_RNA)
where:
Base-Base interactions energy: -770.495
where: short stacking energy: -303.066
Base-Backbone interact. energy: -1.288
local terms energy: -344.751919
where:
bonds (distance) C4'-P energy: -64.642
bonds (distance) P-C4' energy: -75.302
flat angles C4'-P-C4' energy: -70.871
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -92.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1060.475766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.475766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.475766 (E_RNA)
where:
Base-Base interactions energy: -694.452
where: short stacking energy: -317.444
Base-Backbone interact. energy: -0.197
local terms energy: -365.827014
where:
bonds (distance) C4'-P energy: -63.316
bonds (distance) P-C4' energy: -61.365
flat angles C4'-P-C4' energy: -77.137
flat angles P-C4'-P energy: -52.335
tors. eta vs tors. theta energy: -111.674
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: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -993.000662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.000662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.000662 (E_RNA)
where:
Base-Base interactions energy: -647.558
where: short stacking energy: -290.682
Base-Backbone interact. energy: -1.618
local terms energy: -343.824653
where:
bonds (distance) C4'-P energy: -57.890
bonds (distance) P-C4' energy: -77.656
flat angles C4'-P-C4' energy: -66.289
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -95.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -883.011511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.011511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.011511 (E_RNA)
where:
Base-Base interactions energy: -577.405
where: short stacking energy: -245.329
Base-Backbone interact. energy: -1.301
local terms energy: -304.306102
where:
bonds (distance) C4'-P energy: -57.226
bonds (distance) P-C4' energy: -54.584
flat angles C4'-P-C4' energy: -61.944
flat angles P-C4'-P energy: -58.431
tors. eta vs tors. theta energy: -72.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -730.298804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.298804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.298804 (E_RNA)
where:
Base-Base interactions energy: -476.330
where: short stacking energy: -210.559
Base-Backbone interact. energy: 1.288
local terms energy: -255.257021
where:
bonds (distance) C4'-P energy: -50.807
bonds (distance) P-C4' energy: -55.863
flat angles C4'-P-C4' energy: -63.181
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -47.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -693.833582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.833582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.833582 (E_RNA)
where:
Base-Base interactions energy: -416.306
where: short stacking energy: -194.880
Base-Backbone interact. energy: -0.246
local terms energy: -277.281954
where:
bonds (distance) C4'-P energy: -45.295
bonds (distance) P-C4' energy: -58.168
flat angles C4'-P-C4' energy: -56.454
flat angles P-C4'-P energy: -54.870
tors. eta vs tors. theta energy: -62.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -417.812361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.812361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.812361 (E_RNA)
where:
Base-Base interactions energy: -220.324
where: short stacking energy: -122.816
Base-Backbone interact. energy: 1.928
local terms energy: -199.416133
where:
bonds (distance) C4'-P energy: -55.626
bonds (distance) P-C4' energy: -60.644
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: -4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -328.489081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.489081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.489081 (E_RNA)
where:
Base-Base interactions energy: -122.966
where: short stacking energy: -73.337
Base-Backbone interact. energy: -0.503
local terms energy: -205.020361
where:
bonds (distance) C4'-P energy: -57.455
bonds (distance) P-C4' energy: -72.010
flat angles C4'-P-C4' energy: -45.161
flat angles P-C4'-P energy: -36.003
tors. eta vs tors. theta energy: 5.608
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: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -276.097567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.097567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.097567 (E_RNA)
where:
Base-Base interactions energy: -83.250
where: short stacking energy: -75.060
Base-Backbone interact. energy: 0.702
local terms energy: -193.549445
where:
bonds (distance) C4'-P energy: -69.369
bonds (distance) P-C4' energy: -60.948
flat angles C4'-P-C4' energy: -46.374
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: 6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -282.911006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.911006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.911006 (E_RNA)
where:
Base-Base interactions energy: -92.376
where: short stacking energy: -56.861
Base-Backbone interact. energy: -1.374
local terms energy: -189.248577
where:
bonds (distance) C4'-P energy: -61.769
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -55.736
flat angles P-C4'-P energy: -29.353
tors. eta vs tors. theta energy: 9.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.087 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1146.006341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.006341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.006341 (E_RNA)
where:
Base-Base interactions energy: -790.620
where: short stacking energy: -306.071
Base-Backbone interact. energy: -1.405
local terms energy: -353.981212
where:
bonds (distance) C4'-P energy: -69.564
bonds (distance) P-C4' energy: -65.813
flat angles C4'-P-C4' energy: -72.365
flat angles P-C4'-P energy: -48.111
tors. eta vs tors. theta energy: -98.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1073.556558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.556558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.556558 (E_RNA)
where:
Base-Base interactions energy: -712.212
where: short stacking energy: -329.239
Base-Backbone interact. energy: -0.886
local terms energy: -360.458273
where:
bonds (distance) C4'-P energy: -58.019
bonds (distance) P-C4' energy: -65.077
flat angles C4'-P-C4' energy: -76.502
flat angles P-C4'-P energy: -53.171
tors. eta vs tors. theta energy: -107.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -993.858890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.858890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.858890 (E_RNA)
where:
Base-Base interactions energy: -653.426
where: short stacking energy: -265.083
Base-Backbone interact. energy: 0.371
local terms energy: -340.803301
where:
bonds (distance) C4'-P energy: -61.273
bonds (distance) P-C4' energy: -68.686
flat angles C4'-P-C4' energy: -77.510
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -90.347
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: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -899.680608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.680608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.680608 (E_RNA)
where:
Base-Base interactions energy: -590.026
where: short stacking energy: -266.198
Base-Backbone interact. energy: -0.810
local terms energy: -308.844787
where:
bonds (distance) C4'-P energy: -42.452
bonds (distance) P-C4' energy: -64.858
flat angles C4'-P-C4' energy: -62.909
flat angles P-C4'-P energy: -54.001
tors. eta vs tors. theta energy: -84.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -732.290803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.290803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.290803 (E_RNA)
where:
Base-Base interactions energy: -446.175
where: short stacking energy: -188.296
Base-Backbone interact. energy: 0.024
local terms energy: -286.140089
where:
bonds (distance) C4'-P energy: -69.019
bonds (distance) P-C4' energy: -66.049
flat angles C4'-P-C4' energy: -67.941
flat angles P-C4'-P energy: -39.713
tors. eta vs tors. theta energy: -43.417
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: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -641.515497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.515497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.515497 (E_RNA)
where:
Base-Base interactions energy: -384.150
where: short stacking energy: -172.801
Base-Backbone interact. energy: -2.648
local terms energy: -254.717183
where:
bonds (distance) C4'-P energy: -48.197
bonds (distance) P-C4' energy: -65.245
flat angles C4'-P-C4' energy: -61.586
flat angles P-C4'-P energy: -43.004
tors. eta vs tors. theta energy: -36.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -435.272430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.272430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.272430 (E_RNA)
where:
Base-Base interactions energy: -223.276
where: short stacking energy: -104.203
Base-Backbone interact. energy: 2.163
local terms energy: -214.160218
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -64.946
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -42.664
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -313.283886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.283886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.283886 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -87.234
Base-Backbone interact. energy: -2.069
local terms energy: -186.199832
where:
bonds (distance) C4'-P energy: -52.934
bonds (distance) P-C4' energy: -56.323
flat angles C4'-P-C4' energy: -54.208
flat angles P-C4'-P energy: -26.488
tors. eta vs tors. theta energy: 3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -269.091544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.091544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.091544 (E_RNA)
where:
Base-Base interactions energy: -78.404
where: short stacking energy: -53.516
Base-Backbone interact. energy: -1.287
local terms energy: -189.400845
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -59.650
flat angles C4'-P-C4' energy: -58.952
flat angles P-C4'-P energy: -37.867
tors. eta vs tors. theta energy: 18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -260.289332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.289332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.289332 (E_RNA)
where:
Base-Base interactions energy: -71.212
where: short stacking energy: -51.396
Base-Backbone interact. energy: 0.180
local terms energy: -189.333169
where:
bonds (distance) C4'-P energy: -66.666
bonds (distance) P-C4' energy: -42.661
flat angles C4'-P-C4' energy: -55.125
flat angles P-C4'-P energy: -35.827
tors. eta vs tors. theta energy: 10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.076 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1123.835351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.835351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.835351 (E_RNA)
where:
Base-Base interactions energy: -772.530
where: short stacking energy: -308.350
Base-Backbone interact. energy: -3.027
local terms energy: -348.278238
where:
bonds (distance) C4'-P energy: -66.840
bonds (distance) P-C4' energy: -74.863
flat angles C4'-P-C4' energy: -67.258
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -95.067
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: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1057.096551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.096551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.096551 (E_RNA)
where:
Base-Base interactions energy: -695.095
where: short stacking energy: -305.905
Base-Backbone interact. energy: -0.778
local terms energy: -361.223269
where:
bonds (distance) C4'-P energy: -62.485
bonds (distance) P-C4' energy: -68.000
flat angles C4'-P-C4' energy: -73.220
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: -109.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -979.051703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.051703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.051703 (E_RNA)
where:
Base-Base interactions energy: -641.634
where: short stacking energy: -271.461
Base-Backbone interact. energy: -0.906
local terms energy: -336.511488
where:
bonds (distance) C4'-P energy: -64.405
bonds (distance) P-C4' energy: -69.486
flat angles C4'-P-C4' energy: -66.207
flat angles P-C4'-P energy: -49.966
tors. eta vs tors. theta energy: -86.447
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: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -940.482099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.482099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.482099 (E_RNA)
where:
Base-Base interactions energy: -624.247
where: short stacking energy: -277.872
Base-Backbone interact. energy: 1.012
local terms energy: -317.247183
where:
bonds (distance) C4'-P energy: -53.461
bonds (distance) P-C4' energy: -54.777
flat angles C4'-P-C4' energy: -76.249
flat angles P-C4'-P energy: -44.931
tors. eta vs tors. theta energy: -87.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -821.469596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.469596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.469596 (E_RNA)
where:
Base-Base interactions energy: -553.724
where: short stacking energy: -208.344
Base-Backbone interact. energy: 1.456
local terms energy: -269.201036
where:
bonds (distance) C4'-P energy: -48.878
bonds (distance) P-C4' energy: -52.982
flat angles C4'-P-C4' energy: -66.215
flat angles P-C4'-P energy: -50.457
tors. eta vs tors. theta energy: -50.669
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: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -689.104942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.104942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.104942 (E_RNA)
where:
Base-Base interactions energy: -435.295
where: short stacking energy: -198.034
Base-Backbone interact. energy: -1.287
local terms energy: -252.523114
where:
bonds (distance) C4'-P energy: -56.114
bonds (distance) P-C4' energy: -61.417
flat angles C4'-P-C4' energy: -58.520
flat angles P-C4'-P energy: -26.682
tors. eta vs tors. theta energy: -49.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -424.027560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.027560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.027560 (E_RNA)
where:
Base-Base interactions energy: -220.208
where: short stacking energy: -104.497
Base-Backbone interact. energy: 0.231
local terms energy: -204.050271
where:
bonds (distance) C4'-P energy: -55.442
bonds (distance) P-C4' energy: -57.937
flat angles C4'-P-C4' energy: -52.760
flat angles P-C4'-P energy: -41.968
tors. eta vs tors. theta energy: 4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -314.428499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.428499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.428499 (E_RNA)
where:
Base-Base interactions energy: -129.868
where: short stacking energy: -73.799
Base-Backbone interact. energy: -1.538
local terms energy: -183.022616
where:
bonds (distance) C4'-P energy: -54.552
bonds (distance) P-C4' energy: -53.563
flat angles C4'-P-C4' energy: -53.533
flat angles P-C4'-P energy: -25.383
tors. eta vs tors. theta energy: 4.008
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: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -288.085161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.085161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.085161 (E_RNA)
where:
Base-Base interactions energy: -124.408
where: short stacking energy: -81.769
Base-Backbone interact. energy: -0.774
local terms energy: -162.903191
where:
bonds (distance) C4'-P energy: -46.073
bonds (distance) P-C4' energy: -50.098
flat angles C4'-P-C4' energy: -52.087
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -254.542814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.542814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.542814 (E_RNA)
where:
Base-Base interactions energy: -64.269
where: short stacking energy: -48.237
Base-Backbone interact. energy: -1.075
local terms energy: -189.198868
where:
bonds (distance) C4'-P energy: -64.729
bonds (distance) P-C4' energy: -63.121
flat angles C4'-P-C4' energy: -48.448
flat angles P-C4'-P energy: -36.562
tors. eta vs tors. theta energy: 23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1118.540296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.540296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.540296 (E_RNA)
where:
Base-Base interactions energy: -759.943
where: short stacking energy: -316.542
Base-Backbone interact. energy: -0.705
local terms energy: -357.892585
where:
bonds (distance) C4'-P energy: -66.225
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -82.562
flat angles P-C4'-P energy: -47.304
tors. eta vs tors. theta energy: -98.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1074.317328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.317328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.317328 (E_RNA)
where:
Base-Base interactions energy: -699.708
where: short stacking energy: -327.315
Base-Backbone interact. energy: -0.481
local terms energy: -374.128657
where:
bonds (distance) C4'-P energy: -65.967
bonds (distance) P-C4' energy: -69.781
flat angles C4'-P-C4' energy: -73.505
flat angles P-C4'-P energy: -53.842
tors. eta vs tors. theta energy: -111.034
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: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -969.410605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.410605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.410605 (E_RNA)
where:
Base-Base interactions energy: -654.137
where: short stacking energy: -264.727
Base-Backbone interact. energy: 0.395
local terms energy: -315.669334
where:
bonds (distance) C4'-P energy: -61.908
bonds (distance) P-C4' energy: -62.747
flat angles C4'-P-C4' energy: -68.219
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -84.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -917.957231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.957231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.957231 (E_RNA)
where:
Base-Base interactions energy: -609.789
where: short stacking energy: -277.637
Base-Backbone interact. energy: 0.356
local terms energy: -308.524433
where:
bonds (distance) C4'-P energy: -62.654
bonds (distance) P-C4' energy: -59.882
flat angles C4'-P-C4' energy: -61.961
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -85.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -813.724076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.724076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.724076 (E_RNA)
where:
Base-Base interactions energy: -515.368
where: short stacking energy: -209.072
Base-Backbone interact. energy: -1.147
local terms energy: -297.208947
where:
bonds (distance) C4'-P energy: -60.463
bonds (distance) P-C4' energy: -61.268
flat angles C4'-P-C4' energy: -76.341
flat angles P-C4'-P energy: -46.248
tors. eta vs tors. theta energy: -52.888
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: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -743.635773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.635773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.635773 (E_RNA)
where:
Base-Base interactions energy: -469.157
where: short stacking energy: -190.683
Base-Backbone interact. energy: -1.446
local terms energy: -273.031955
where:
bonds (distance) C4'-P energy: -55.429
bonds (distance) P-C4' energy: -59.138
flat angles C4'-P-C4' energy: -63.692
flat angles P-C4'-P energy: -43.135
tors. eta vs tors. theta energy: -51.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -414.989546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.989546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.989546 (E_RNA)
where:
Base-Base interactions energy: -188.421
where: short stacking energy: -108.188
Base-Backbone interact. energy: -2.379
local terms energy: -224.189255
where:
bonds (distance) C4'-P energy: -60.864
bonds (distance) P-C4' energy: -65.993
flat angles C4'-P-C4' energy: -45.425
flat angles P-C4'-P energy: -36.067
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -316.024663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.024663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.024663 (E_RNA)
where:
Base-Base interactions energy: -94.860
where: short stacking energy: -84.730
Base-Backbone interact. energy: -1.368
local terms energy: -219.796554
where:
bonds (distance) C4'-P energy: -65.489
bonds (distance) P-C4' energy: -64.305
flat angles C4'-P-C4' energy: -49.057
flat angles P-C4'-P energy: -38.200
tors. eta vs tors. theta energy: -2.746
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: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -305.230395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.230395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.230395 (E_RNA)
where:
Base-Base interactions energy: -123.342
where: short stacking energy: -97.804
Base-Backbone interact. energy: 1.058
local terms energy: -182.946143
where:
bonds (distance) C4'-P energy: -44.311
bonds (distance) P-C4' energy: -62.393
flat angles C4'-P-C4' energy: -43.718
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: 2.073
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: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -281.834107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.834107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.834107 (E_RNA)
where:
Base-Base interactions energy: -79.221
where: short stacking energy: -59.370
Base-Backbone interact. energy: -1.405
local terms energy: -201.467115
where:
bonds (distance) C4'-P energy: -60.577
bonds (distance) P-C4' energy: -63.651
flat angles C4'-P-C4' energy: -57.881
flat angles P-C4'-P energy: -36.329
tors. eta vs tors. theta energy: 16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.260 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1106.079153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.079153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.079153 (E_RNA)
where:
Base-Base interactions energy: -751.178
where: short stacking energy: -294.906
Base-Backbone interact. energy: -0.635
local terms energy: -354.265697
where:
bonds (distance) C4'-P energy: -68.326
bonds (distance) P-C4' energy: -62.671
flat angles C4'-P-C4' energy: -75.829
flat angles P-C4'-P energy: -50.253
tors. eta vs tors. theta energy: -97.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1042.279163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.279163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.279163 (E_RNA)
where:
Base-Base interactions energy: -680.761
where: short stacking energy: -303.032
Base-Backbone interact. energy: -1.410
local terms energy: -360.107734
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -72.550
flat angles C4'-P-C4' energy: -71.878
flat angles P-C4'-P energy: -50.276
tors. eta vs tors. theta energy: -100.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -958.155148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.155148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.155148 (E_RNA)
where:
Base-Base interactions energy: -631.242
where: short stacking energy: -270.750
Base-Backbone interact. energy: -0.779
local terms energy: -326.134444
where:
bonds (distance) C4'-P energy: -64.868
bonds (distance) P-C4' energy: -68.976
flat angles C4'-P-C4' energy: -66.424
flat angles P-C4'-P energy: -48.366
tors. eta vs tors. theta energy: -77.500
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: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -988.220906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.220906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.220906 (E_RNA)
where:
Base-Base interactions energy: -657.502
where: short stacking energy: -271.354
Base-Backbone interact. energy: -0.422
local terms energy: -330.297303
where:
bonds (distance) C4'-P energy: -61.368
bonds (distance) P-C4' energy: -53.281
flat angles C4'-P-C4' energy: -72.925
flat angles P-C4'-P energy: -44.350
tors. eta vs tors. theta energy: -98.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -829.441848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.441848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.441848 (E_RNA)
where:
Base-Base interactions energy: -537.004
where: short stacking energy: -218.099
Base-Backbone interact. energy: -0.075
local terms energy: -292.362527
where:
bonds (distance) C4'-P energy: -60.608
bonds (distance) P-C4' energy: -66.752
flat angles C4'-P-C4' energy: -70.263
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -54.663
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: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -751.388028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.388028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.388028 (E_RNA)
where:
Base-Base interactions energy: -464.001
where: short stacking energy: -197.665
Base-Backbone interact. energy: -0.966
local terms energy: -286.420867
where:
bonds (distance) C4'-P energy: -55.059
bonds (distance) P-C4' energy: -71.610
flat angles C4'-P-C4' energy: -62.266
flat angles P-C4'-P energy: -48.910
tors. eta vs tors. theta energy: -48.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -444.591603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.591603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.591603 (E_RNA)
where:
Base-Base interactions energy: -229.747
where: short stacking energy: -127.991
Base-Backbone interact. energy: -0.579
local terms energy: -214.265588
where:
bonds (distance) C4'-P energy: -54.942
bonds (distance) P-C4' energy: -61.845
flat angles C4'-P-C4' energy: -36.301
flat angles P-C4'-P energy: -43.283
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -303.847112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.847112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.847112 (E_RNA)
where:
Base-Base interactions energy: -81.075
where: short stacking energy: -67.989
Base-Backbone interact. energy: -2.214
local terms energy: -220.557941
where:
bonds (distance) C4'-P energy: -53.827
bonds (distance) P-C4' energy: -76.119
flat angles C4'-P-C4' energy: -48.544
flat angles P-C4'-P energy: -50.205
tors. eta vs tors. theta energy: 8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -292.695477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.695477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.695477 (E_RNA)
where:
Base-Base interactions energy: -89.029
where: short stacking energy: -68.414
Base-Backbone interact. energy: -3.055
local terms energy: -200.611697
where:
bonds (distance) C4'-P energy: -64.336
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -49.724
flat angles P-C4'-P energy: -40.345
tors. eta vs tors. theta energy: 11.364
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: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -268.720163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.720163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.720163 (E_RNA)
where:
Base-Base interactions energy: -98.130
where: short stacking energy: -78.018
Base-Backbone interact. energy: -0.438
local terms energy: -170.152209
where:
bonds (distance) C4'-P energy: -55.740
bonds (distance) P-C4' energy: -40.851
flat angles C4'-P-C4' energy: -53.831
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: 8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1102.571056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.571056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.571056 (E_RNA)
where:
Base-Base interactions energy: -751.066
where: short stacking energy: -308.031
Base-Backbone interact. energy: -2.455
local terms energy: -349.050606
where:
bonds (distance) C4'-P energy: -64.118
bonds (distance) P-C4' energy: -60.526
flat angles C4'-P-C4' energy: -77.198
flat angles P-C4'-P energy: -48.141
tors. eta vs tors. theta energy: -99.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -974.345637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.345637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.345637 (E_RNA)
where:
Base-Base interactions energy: -650.422
where: short stacking energy: -274.789
Base-Backbone interact. energy: -0.905
local terms energy: -323.019089
where:
bonds (distance) C4'-P energy: -54.473
bonds (distance) P-C4' energy: -66.704
flat angles C4'-P-C4' energy: -73.942
flat angles P-C4'-P energy: -44.894
tors. eta vs tors. theta energy: -83.006
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: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1039.269393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.269393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.269393 (E_RNA)
where:
Base-Base interactions energy: -680.244
where: short stacking energy: -302.411
Base-Backbone interact. energy: 0.021
local terms energy: -359.045849
where:
bonds (distance) C4'-P energy: -71.137
bonds (distance) P-C4' energy: -65.454
flat angles C4'-P-C4' energy: -65.219
flat angles P-C4'-P energy: -45.961
tors. eta vs tors. theta energy: -111.274
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: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1014.991403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.991403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.991403 (E_RNA)
where:
Base-Base interactions energy: -673.843
where: short stacking energy: -289.123
Base-Backbone interact. energy: 0.137
local terms energy: -341.284678
where:
bonds (distance) C4'-P energy: -66.477
bonds (distance) P-C4' energy: -63.420
flat angles C4'-P-C4' energy: -69.874
flat angles P-C4'-P energy: -42.281
tors. eta vs tors. theta energy: -99.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -809.086298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.086298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.086298 (E_RNA)
where:
Base-Base interactions energy: -519.492
where: short stacking energy: -219.483
Base-Backbone interact. energy: 0.767
local terms energy: -290.361443
where:
bonds (distance) C4'-P energy: -74.886
bonds (distance) P-C4' energy: -47.553
flat angles C4'-P-C4' energy: -65.552
flat angles P-C4'-P energy: -46.377
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: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -786.169716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.169716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.169716 (E_RNA)
where:
Base-Base interactions energy: -503.305
where: short stacking energy: -217.247
Base-Backbone interact. energy: 3.071
local terms energy: -285.935692
where:
bonds (distance) C4'-P energy: -62.577
bonds (distance) P-C4' energy: -53.821
flat angles C4'-P-C4' energy: -61.889
flat angles P-C4'-P energy: -42.275
tors. eta vs tors. theta energy: -65.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -432.279761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.279761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.279761 (E_RNA)
where:
Base-Base interactions energy: -216.918
where: short stacking energy: -111.088
Base-Backbone interact. energy: 2.110
local terms energy: -217.471216
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -59.653
flat angles C4'-P-C4' energy: -55.699
flat angles P-C4'-P energy: -33.829
tors. eta vs tors. theta energy: -7.893
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: 411
Temperature: 1.250000
Total energy: -285.453966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.453966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.453966 (E_RNA)
where:
Base-Base interactions energy: -98.517
where: short stacking energy: -69.081
Base-Backbone interact. energy: -0.293
local terms energy: -186.644021
where:
bonds (distance) C4'-P energy: -56.704
bonds (distance) P-C4' energy: -73.420
flat angles C4'-P-C4' energy: -44.866
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: 12.053
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: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -285.078052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.078052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.078052 (E_RNA)
where:
Base-Base interactions energy: -101.896
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.279
local terms energy: -182.903055
where:
bonds (distance) C4'-P energy: -65.763
bonds (distance) P-C4' energy: -64.702
flat angles C4'-P-C4' energy: -42.179
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: 14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -277.117683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.117683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.117683 (E_RNA)
where:
Base-Base interactions energy: -103.153
where: short stacking energy: -76.345
Base-Backbone interact. energy: 0.865
local terms energy: -174.829493
where:
bonds (distance) C4'-P energy: -52.315
bonds (distance) P-C4' energy: -74.947
flat angles C4'-P-C4' energy: -39.157
flat angles P-C4'-P energy: -25.925
tors. eta vs tors. theta energy: 17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1096.420253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.420253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.420253 (E_RNA)
where:
Base-Base interactions energy: -754.143
where: short stacking energy: -308.545
Base-Backbone interact. energy: 1.996
local terms energy: -344.273175
where:
bonds (distance) C4'-P energy: -64.365
bonds (distance) P-C4' energy: -54.717
flat angles C4'-P-C4' energy: -74.171
flat angles P-C4'-P energy: -49.360
tors. eta vs tors. theta energy: -101.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -988.107757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.107757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.107757 (E_RNA)
where:
Base-Base interactions energy: -648.541
where: short stacking energy: -275.134
Base-Backbone interact. energy: -1.594
local terms energy: -337.973122
where:
bonds (distance) C4'-P energy: -58.867
bonds (distance) P-C4' energy: -61.970
flat angles C4'-P-C4' energy: -64.456
flat angles P-C4'-P energy: -63.151
tors. eta vs tors. theta energy: -89.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1059.975991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.975991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.975991 (E_RNA)
where:
Base-Base interactions energy: -691.273
where: short stacking energy: -311.376
Base-Backbone interact. energy: 1.141
local terms energy: -369.844428
where:
bonds (distance) C4'-P energy: -65.356
bonds (distance) P-C4' energy: -70.150
flat angles C4'-P-C4' energy: -69.736
flat angles P-C4'-P energy: -53.661
tors. eta vs tors. theta energy: -110.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -968.993355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.993355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.993355 (E_RNA)
where:
Base-Base interactions energy: -647.577
where: short stacking energy: -260.311
Base-Backbone interact. energy: -1.257
local terms energy: -320.158759
where:
bonds (distance) C4'-P energy: -57.095
bonds (distance) P-C4' energy: -69.667
flat angles C4'-P-C4' energy: -66.880
flat angles P-C4'-P energy: -41.291
tors. eta vs tors. theta energy: -85.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -866.353014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.353014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.353014 (E_RNA)
where:
Base-Base interactions energy: -548.634
where: short stacking energy: -242.229
Base-Backbone interact. energy: -3.201
local terms energy: -314.517812
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -62.335
flat angles C4'-P-C4' energy: -72.644
flat angles P-C4'-P energy: -41.590
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: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -746.671937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.671937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.671937 (E_RNA)
where:
Base-Base interactions energy: -480.846
where: short stacking energy: -176.841
Base-Backbone interact. energy: -1.255
local terms energy: -264.570662
where:
bonds (distance) C4'-P energy: -60.197
bonds (distance) P-C4' energy: -75.011
flat angles C4'-P-C4' energy: -52.760
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -46.105
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: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -446.994852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.994852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.994852 (E_RNA)
where:
Base-Base interactions energy: -246.592
where: short stacking energy: -128.685
Base-Backbone interact. energy: -0.570
local terms energy: -199.832896
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -48.244
flat angles C4'-P-C4' energy: -50.415
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -308.685489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.685489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.685489 (E_RNA)
where:
Base-Base interactions energy: -106.057
where: short stacking energy: -85.850
Base-Backbone interact. energy: -0.420
local terms energy: -202.207684
where:
bonds (distance) C4'-P energy: -56.531
bonds (distance) P-C4' energy: -66.075
flat angles C4'-P-C4' energy: -55.872
flat angles P-C4'-P energy: -33.659
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: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -338.971810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.971810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.971810 (E_RNA)
where:
Base-Base interactions energy: -136.086
where: short stacking energy: -88.309
Base-Backbone interact. energy: -1.585
local terms energy: -201.300879
where:
bonds (distance) C4'-P energy: -60.929
bonds (distance) P-C4' energy: -63.821
flat angles C4'-P-C4' energy: -52.389
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: 7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -254.711979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.711979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.711979 (E_RNA)
where:
Base-Base interactions energy: -83.904
where: short stacking energy: -71.596
Base-Backbone interact. energy: 0.894
local terms energy: -171.701916
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -45.655
flat angles C4'-P-C4' energy: -53.930
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: 8.799
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: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1089.829747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.829747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.829747 (E_RNA)
where:
Base-Base interactions energy: -742.786
where: short stacking energy: -297.305
Base-Backbone interact. energy: -2.516
local terms energy: -344.526981
where:
bonds (distance) C4'-P energy: -58.104
bonds (distance) P-C4' energy: -65.705
flat angles C4'-P-C4' energy: -77.784
flat angles P-C4'-P energy: -47.713
tors. eta vs tors. theta energy: -95.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1074.783448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.783448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.783448 (E_RNA)
where:
Base-Base interactions energy: -704.162
where: short stacking energy: -319.471
Base-Backbone interact. energy: -0.632
local terms energy: -369.989197
where:
bonds (distance) C4'-P energy: -69.150
bonds (distance) P-C4' energy: -66.556
flat angles C4'-P-C4' energy: -74.521
flat angles P-C4'-P energy: -46.668
tors. eta vs tors. theta energy: -113.095
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: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -934.326805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.326805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.326805 (E_RNA)
where:
Base-Base interactions energy: -605.303
where: short stacking energy: -262.803
Base-Backbone interact. energy: 0.080
local terms energy: -329.104157
where:
bonds (distance) C4'-P energy: -57.428
bonds (distance) P-C4' energy: -70.828
flat angles C4'-P-C4' energy: -75.489
flat angles P-C4'-P energy: -41.911
tors. eta vs tors. theta energy: -83.447
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: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -962.847074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.847074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.847074 (E_RNA)
where:
Base-Base interactions energy: -641.835
where: short stacking energy: -271.814
Base-Backbone interact. energy: -0.903
local terms energy: -320.108583
where:
bonds (distance) C4'-P energy: -66.966
bonds (distance) P-C4' energy: -60.926
flat angles C4'-P-C4' energy: -71.326
flat angles P-C4'-P energy: -35.014
tors. eta vs tors. theta energy: -85.877
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: 413
Temperature: 1.100000
Total energy: -869.037017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.037017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.037017 (E_RNA)
where:
Base-Base interactions energy: -542.561
where: short stacking energy: -236.056
Base-Backbone interact. energy: 0.540
local terms energy: -327.015988
where:
bonds (distance) C4'-P energy: -69.944
bonds (distance) P-C4' energy: -64.286
flat angles C4'-P-C4' energy: -70.098
flat angles P-C4'-P energy: -48.518
tors. eta vs tors. theta energy: -74.169
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: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -720.325967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.325967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.325967 (E_RNA)
where:
Base-Base interactions energy: -440.795
where: short stacking energy: -195.116
Base-Backbone interact. energy: -0.644
local terms energy: -278.886308
where:
bonds (distance) C4'-P energy: -65.985
bonds (distance) P-C4' energy: -58.545
flat angles C4'-P-C4' energy: -63.802
flat angles P-C4'-P energy: -41.122
tors. eta vs tors. theta energy: -49.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -461.325590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.325590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.325590 (E_RNA)
where:
Base-Base interactions energy: -217.839
where: short stacking energy: -121.865
Base-Backbone interact. energy: 0.748
local terms energy: -244.234761
where:
bonds (distance) C4'-P energy: -51.431
bonds (distance) P-C4' energy: -62.117
flat angles C4'-P-C4' energy: -56.685
flat angles P-C4'-P energy: -46.850
tors. eta vs tors. theta energy: -27.151
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: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -348.127862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.127862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.127862 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -86.598
Base-Backbone interact. energy: -3.107
local terms energy: -204.154460
where:
bonds (distance) C4'-P energy: -59.716
bonds (distance) P-C4' energy: -51.988
flat angles C4'-P-C4' energy: -51.312
flat angles P-C4'-P energy: -38.690
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -281.323893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.323893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.323893 (E_RNA)
where:
Base-Base interactions energy: -93.238
where: short stacking energy: -71.322
Base-Backbone interact. energy: -2.209
local terms energy: -185.876557
where:
bonds (distance) C4'-P energy: -52.881
bonds (distance) P-C4' energy: -52.550
flat angles C4'-P-C4' energy: -57.334
flat angles P-C4'-P energy: -36.141
tors. eta vs tors. theta energy: 13.029
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: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -264.348968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.348968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.348968 (E_RNA)
where:
Base-Base interactions energy: -94.310
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.829
local terms energy: -169.210715
where:
bonds (distance) C4'-P energy: -59.226
bonds (distance) P-C4' energy: -62.100
flat angles C4'-P-C4' energy: -36.755
flat angles P-C4'-P energy: -28.755
tors. eta vs tors. theta energy: 17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1102.349219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.349219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.349219 (E_RNA)
where:
Base-Base interactions energy: -744.788
where: short stacking energy: -292.553
Base-Backbone interact. energy: -3.493
local terms energy: -354.068744
where:
bonds (distance) C4'-P energy: -65.859
bonds (distance) P-C4' energy: -65.785
flat angles C4'-P-C4' energy: -72.027
flat angles P-C4'-P energy: -50.286
tors. eta vs tors. theta energy: -100.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1058.481600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.481600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.481600 (E_RNA)
where:
Base-Base interactions energy: -697.800
where: short stacking energy: -308.313
Base-Backbone interact. energy: -1.171
local terms energy: -359.510430
where:
bonds (distance) C4'-P energy: -63.560
bonds (distance) P-C4' energy: -71.062
flat angles C4'-P-C4' energy: -78.406
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -97.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -949.541983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.541983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.541983 (E_RNA)
where:
Base-Base interactions energy: -627.208
where: short stacking energy: -242.106
Base-Backbone interact. energy: -0.351
local terms energy: -321.983096
where:
bonds (distance) C4'-P energy: -61.592
bonds (distance) P-C4' energy: -68.161
flat angles C4'-P-C4' energy: -74.886
flat angles P-C4'-P energy: -46.624
tors. eta vs tors. theta energy: -70.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -929.976774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.976774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.976774 (E_RNA)
where:
Base-Base interactions energy: -612.772
where: short stacking energy: -264.102
Base-Backbone interact. energy: -0.106
local terms energy: -317.098400
where:
bonds (distance) C4'-P energy: -58.648
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -69.936
flat angles P-C4'-P energy: -53.668
tors. eta vs tors. theta energy: -80.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -904.724117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.724117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.724117 (E_RNA)
where:
Base-Base interactions energy: -578.811
where: short stacking energy: -268.568
Base-Backbone interact. energy: -0.171
local terms energy: -325.742294
where:
bonds (distance) C4'-P energy: -63.462
bonds (distance) P-C4' energy: -55.968
flat angles C4'-P-C4' energy: -70.214
flat angles P-C4'-P energy: -45.182
tors. eta vs tors. theta energy: -90.916
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: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -772.625669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.625669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.625669 (E_RNA)
where:
Base-Base interactions energy: -502.228
where: short stacking energy: -201.387
Base-Backbone interact. energy: -1.304
local terms energy: -269.093212
where:
bonds (distance) C4'-P energy: -54.493
bonds (distance) P-C4' energy: -55.255
flat angles C4'-P-C4' energy: -64.229
flat angles P-C4'-P energy: -41.159
tors. eta vs tors. theta energy: -53.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -404.997360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.997360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.997360 (E_RNA)
where:
Base-Base interactions energy: -190.710
where: short stacking energy: -101.974
Base-Backbone interact. energy: -0.818
local terms energy: -213.469031
where:
bonds (distance) C4'-P energy: -56.786
bonds (distance) P-C4' energy: -65.612
flat angles C4'-P-C4' energy: -46.468
flat angles P-C4'-P energy: -31.884
tors. eta vs tors. theta energy: -12.719
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: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -290.390608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.390608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.390608 (E_RNA)
where:
Base-Base interactions energy: -106.408
where: short stacking energy: -69.361
Base-Backbone interact. energy: -2.299
local terms energy: -181.684448
where:
bonds (distance) C4'-P energy: -49.020
bonds (distance) P-C4' energy: -50.494
flat angles C4'-P-C4' energy: -62.112
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: 8.235
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: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -296.692251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.692251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.692251 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -64.096
Base-Backbone interact. energy: 0.554
local terms energy: -172.860383
where:
bonds (distance) C4'-P energy: -47.213
bonds (distance) P-C4' energy: -55.838
flat angles C4'-P-C4' energy: -53.229
flat angles P-C4'-P energy: -26.567
tors. eta vs tors. theta energy: 9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -253.328574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.328574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.328574 (E_RNA)
where:
Base-Base interactions energy: -91.335
where: short stacking energy: -59.878
Base-Backbone interact. energy: 2.398
local terms energy: -164.392183
where:
bonds (distance) C4'-P energy: -47.389
bonds (distance) P-C4' energy: -61.687
flat angles C4'-P-C4' energy: -46.392
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: 16.377
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: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1100.821082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.821082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.821082 (E_RNA)
where:
Base-Base interactions energy: -736.058
where: short stacking energy: -293.166
Base-Backbone interact. energy: 0.076
local terms energy: -364.838617
where:
bonds (distance) C4'-P energy: -76.247
bonds (distance) P-C4' energy: -72.916
flat angles C4'-P-C4' energy: -70.406
flat angles P-C4'-P energy: -50.854
tors. eta vs tors. theta energy: -94.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1057.190002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.190002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.190002 (E_RNA)
where:
Base-Base interactions energy: -686.106
where: short stacking energy: -312.576
Base-Backbone interact. energy: 0.987
local terms energy: -372.071002
where:
bonds (distance) C4'-P energy: -67.508
bonds (distance) P-C4' energy: -69.643
flat angles C4'-P-C4' energy: -74.059
flat angles P-C4'-P energy: -54.653
tors. eta vs tors. theta energy: -106.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -999.652509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.652509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.652509 (E_RNA)
where:
Base-Base interactions energy: -687.914
where: short stacking energy: -277.159
Base-Backbone interact. energy: 0.073
local terms energy: -311.870902
where:
bonds (distance) C4'-P energy: -63.165
bonds (distance) P-C4' energy: -64.653
flat angles C4'-P-C4' energy: -61.527
flat angles P-C4'-P energy: -35.007
tors. eta vs tors. theta energy: -87.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.059 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -918.183486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.183486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.183486 (E_RNA)
where:
Base-Base interactions energy: -599.231
where: short stacking energy: -262.741
Base-Backbone interact. energy: -0.848
local terms energy: -318.104269
where:
bonds (distance) C4'-P energy: -61.643
bonds (distance) P-C4' energy: -71.931
flat angles C4'-P-C4' energy: -66.424
flat angles P-C4'-P energy: -34.227
tors. eta vs tors. theta energy: -83.881
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: 415
Temperature: 1.100000
Total energy: -889.069451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.069451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.069451 (E_RNA)
where:
Base-Base interactions energy: -565.401
where: short stacking energy: -257.163
Base-Backbone interact. energy: -0.274
local terms energy: -323.394412
where:
bonds (distance) C4'-P energy: -57.342
bonds (distance) P-C4' energy: -69.746
flat angles C4'-P-C4' energy: -66.641
flat angles P-C4'-P energy: -44.283
tors. eta vs tors. theta energy: -85.382
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: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -710.035715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.035715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.035715 (E_RNA)
where:
Base-Base interactions energy: -457.196
where: short stacking energy: -169.040
Base-Backbone interact. energy: -1.751
local terms energy: -251.088878
where:
bonds (distance) C4'-P energy: -55.674
bonds (distance) P-C4' energy: -67.014
flat angles C4'-P-C4' energy: -61.569
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -30.998
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: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -424.210445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.210445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.210445 (E_RNA)
where:
Base-Base interactions energy: -191.613
where: short stacking energy: -122.928
Base-Backbone interact. energy: -1.968
local terms energy: -230.629979
where:
bonds (distance) C4'-P energy: -60.487
bonds (distance) P-C4' energy: -60.510
flat angles C4'-P-C4' energy: -57.441
flat angles P-C4'-P energy: -30.220
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -292.057148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.057148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.057148 (E_RNA)
where:
Base-Base interactions energy: -101.691
where: short stacking energy: -68.947
Base-Backbone interact. energy: 1.095
local terms energy: -191.460953
where:
bonds (distance) C4'-P energy: -69.499
bonds (distance) P-C4' energy: -60.209
flat angles C4'-P-C4' energy: -44.582
flat angles P-C4'-P energy: -32.121
tors. eta vs tors. theta energy: 14.950
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: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -286.015070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.015070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.015070 (E_RNA)
where:
Base-Base interactions energy: -103.971
where: short stacking energy: -79.111
Base-Backbone interact. energy: -0.789
local terms energy: -181.254922
where:
bonds (distance) C4'-P energy: -63.074
bonds (distance) P-C4' energy: -52.345
flat angles C4'-P-C4' energy: -45.569
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: 4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -260.638831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.638831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.638831 (E_RNA)
where:
Base-Base interactions energy: -87.873
where: short stacking energy: -65.511
Base-Backbone interact. energy: 0.335
local terms energy: -173.100946
where:
bonds (distance) C4'-P energy: -50.354
bonds (distance) P-C4' energy: -57.972
flat angles C4'-P-C4' energy: -39.511
flat angles P-C4'-P energy: -33.396
tors. eta vs tors. theta energy: 8.132
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: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1107.382572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.382572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.382572 (E_RNA)
where:
Base-Base interactions energy: -772.367
where: short stacking energy: -304.096
Base-Backbone interact. energy: -0.101
local terms energy: -334.914683
where:
bonds (distance) C4'-P energy: -58.689
bonds (distance) P-C4' energy: -63.557
flat angles C4'-P-C4' energy: -71.332
flat angles P-C4'-P energy: -48.732
tors. eta vs tors. theta energy: -92.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1072.596113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.596113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.596113 (E_RNA)
where:
Base-Base interactions energy: -701.303
where: short stacking energy: -286.984
Base-Backbone interact. energy: -0.027
local terms energy: -371.266363
where:
bonds (distance) C4'-P energy: -66.696
bonds (distance) P-C4' energy: -81.289
flat angles C4'-P-C4' energy: -73.232
flat angles P-C4'-P energy: -48.485
tors. eta vs tors. theta energy: -101.565
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: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1005.514278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.514278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.514278 (E_RNA)
where:
Base-Base interactions energy: -664.938
where: short stacking energy: -291.997
Base-Backbone interact. energy: 0.136
local terms energy: -340.711781
where:
bonds (distance) C4'-P energy: -64.050
bonds (distance) P-C4' energy: -64.867
flat angles C4'-P-C4' energy: -76.793
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -97.169
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: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -913.022425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.022425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.022425 (E_RNA)
where:
Base-Base interactions energy: -591.756
where: short stacking energy: -255.154
Base-Backbone interact. energy: -0.184
local terms energy: -321.082027
where:
bonds (distance) C4'-P energy: -64.878
bonds (distance) P-C4' energy: -57.030
flat angles C4'-P-C4' energy: -69.568
flat angles P-C4'-P energy: -43.902
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: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -881.818890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.818890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.818890 (E_RNA)
where:
Base-Base interactions energy: -579.355
where: short stacking energy: -262.470
Base-Backbone interact. energy: 1.343
local terms energy: -304.483335
where:
bonds (distance) C4'-P energy: -55.713
bonds (distance) P-C4' energy: -53.603
flat angles C4'-P-C4' energy: -68.266
flat angles P-C4'-P energy: -47.042
tors. eta vs tors. theta energy: -79.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.676 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -655.620477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.620477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.620477 (E_RNA)
where:
Base-Base interactions energy: -411.045
where: short stacking energy: -167.462
Base-Backbone interact. energy: -2.957
local terms energy: -241.618276
where:
bonds (distance) C4'-P energy: -49.951
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -51.302
flat angles P-C4'-P energy: -42.805
tors. eta vs tors. theta energy: -37.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -401.363996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.363996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.363996 (E_RNA)
where:
Base-Base interactions energy: -203.511
where: short stacking energy: -111.233
Base-Backbone interact. energy: 0.904
local terms energy: -199.122652
where:
bonds (distance) C4'-P energy: -56.555
bonds (distance) P-C4' energy: -61.245
flat angles C4'-P-C4' energy: -47.358
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.366 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -316.028426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.028426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.028426 (E_RNA)
where:
Base-Base interactions energy: -115.359
where: short stacking energy: -93.657
Base-Backbone interact. energy: -1.446
local terms energy: -199.223619
where:
bonds (distance) C4'-P energy: -53.443
bonds (distance) P-C4' energy: -68.933
flat angles C4'-P-C4' energy: -53.033
flat angles P-C4'-P energy: -27.497
tors. eta vs tors. theta energy: 3.683
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: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -294.669733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.669733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.669733 (E_RNA)
where:
Base-Base interactions energy: -117.453
where: short stacking energy: -75.386
Base-Backbone interact. energy: 0.975
local terms energy: -178.192008
where:
bonds (distance) C4'-P energy: -58.095
bonds (distance) P-C4' energy: -62.622
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: 15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -263.538315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.538315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.538315 (E_RNA)
where:
Base-Base interactions energy: -83.807
where: short stacking energy: -47.026
Base-Backbone interact. energy: 1.105
local terms energy: -180.836348
where:
bonds (distance) C4'-P energy: -52.328
bonds (distance) P-C4' energy: -66.627
flat angles C4'-P-C4' energy: -37.055
flat angles P-C4'-P energy: -38.811
tors. eta vs tors. theta energy: 13.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1097.388937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.388937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.388937 (E_RNA)
where:
Base-Base interactions energy: -752.822
where: short stacking energy: -297.884
Base-Backbone interact. energy: -2.328
local terms energy: -342.238977
where:
bonds (distance) C4'-P energy: -72.939
bonds (distance) P-C4' energy: -55.745
flat angles C4'-P-C4' energy: -78.780
flat angles P-C4'-P energy: -47.356
tors. eta vs tors. theta energy: -87.419
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: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1063.370361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.370361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.370361 (E_RNA)
where:
Base-Base interactions energy: -704.714
where: short stacking energy: -309.580
Base-Backbone interact. energy: -1.686
local terms energy: -356.969558
where:
bonds (distance) C4'-P energy: -61.448
bonds (distance) P-C4' energy: -63.753
flat angles C4'-P-C4' energy: -75.323
flat angles P-C4'-P energy: -52.336
tors. eta vs tors. theta energy: -104.110
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: 417
Temperature: 1.000000
Total energy: -1008.403762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.403762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.403762 (E_RNA)
where:
Base-Base interactions energy: -668.382
where: short stacking energy: -279.733
Base-Backbone interact. energy: -0.800
local terms energy: -339.222393
where:
bonds (distance) C4'-P energy: -65.334
bonds (distance) P-C4' energy: -66.928
flat angles C4'-P-C4' energy: -74.625
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: -93.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -912.112182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.112182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.112182 (E_RNA)
where:
Base-Base interactions energy: -576.143
where: short stacking energy: -254.586
Base-Backbone interact. energy: 0.910
local terms energy: -336.879830
where:
bonds (distance) C4'-P energy: -70.022
bonds (distance) P-C4' energy: -58.227
flat angles C4'-P-C4' energy: -78.468
flat angles P-C4'-P energy: -47.753
tors. eta vs tors. theta energy: -82.410
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: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -888.088137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.088137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.088137 (E_RNA)
where:
Base-Base interactions energy: -580.320
where: short stacking energy: -257.177
Base-Backbone interact. energy: -0.128
local terms energy: -307.640237
where:
bonds (distance) C4'-P energy: -62.298
bonds (distance) P-C4' energy: -73.907
flat angles C4'-P-C4' energy: -69.733
flat angles P-C4'-P energy: -22.771
tors. eta vs tors. theta energy: -78.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -724.503709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.503709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.503709 (E_RNA)
where:
Base-Base interactions energy: -496.334
where: short stacking energy: -167.672
Base-Backbone interact. energy: -1.663
local terms energy: -226.506537
where:
bonds (distance) C4'-P energy: -55.738
bonds (distance) P-C4' energy: -53.097
flat angles C4'-P-C4' energy: -58.157
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -39.817
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: 417
Temperature: 1.200000
Total energy: -406.814872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.814872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.814872 (E_RNA)
where:
Base-Base interactions energy: -188.964
where: short stacking energy: -99.260
Base-Backbone interact. energy: -2.007
local terms energy: -215.960837
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -54.828
flat angles C4'-P-C4' energy: -52.202
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -23.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -291.385509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.385509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.385509 (E_RNA)
where:
Base-Base interactions energy: -100.794
where: short stacking energy: -76.448
Base-Backbone interact. energy: -2.604
local terms energy: -187.988109
where:
bonds (distance) C4'-P energy: -59.619
bonds (distance) P-C4' energy: -60.144
flat angles C4'-P-C4' energy: -32.867
flat angles P-C4'-P energy: -36.324
tors. eta vs tors. theta energy: 0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -264.620242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.620242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.620242 (E_RNA)
where:
Base-Base interactions energy: -99.088
where: short stacking energy: -77.667
Base-Backbone interact. energy: 3.778
local terms energy: -169.310801
where:
bonds (distance) C4'-P energy: -62.945
bonds (distance) P-C4' energy: -56.612
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: 6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -253.349534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.349534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.349534 (E_RNA)
where:
Base-Base interactions energy: -83.778
where: short stacking energy: -74.971
Base-Backbone interact. energy: 1.700
local terms energy: -171.271538
where:
bonds (distance) C4'-P energy: -52.832
bonds (distance) P-C4' energy: -52.142
flat angles C4'-P-C4' energy: -43.886
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1101.526554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.526554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.526554 (E_RNA)
where:
Base-Base interactions energy: -737.510
where: short stacking energy: -301.478
Base-Backbone interact. energy: -2.155
local terms energy: -361.861853
where:
bonds (distance) C4'-P energy: -72.603
bonds (distance) P-C4' energy: -76.113
flat angles C4'-P-C4' energy: -79.100
flat angles P-C4'-P energy: -34.823
tors. eta vs tors. theta energy: -99.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1046.301537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.301537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.301537 (E_RNA)
where:
Base-Base interactions energy: -714.552
where: short stacking energy: -310.324
Base-Backbone interact. energy: -0.275
local terms energy: -331.474789
where:
bonds (distance) C4'-P energy: -63.412
bonds (distance) P-C4' energy: -66.670
flat angles C4'-P-C4' energy: -58.913
flat angles P-C4'-P energy: -37.673
tors. eta vs tors. theta energy: -104.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1011.364408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.364408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.364408 (E_RNA)
where:
Base-Base interactions energy: -670.191
where: short stacking energy: -293.322
Base-Backbone interact. energy: -1.308
local terms energy: -339.865468
where:
bonds (distance) C4'-P energy: -61.488
bonds (distance) P-C4' energy: -65.666
flat angles C4'-P-C4' energy: -71.031
flat angles P-C4'-P energy: -46.824
tors. eta vs tors. theta energy: -94.856
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: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -913.297663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.297663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.297663 (E_RNA)
where:
Base-Base interactions energy: -592.483
where: short stacking energy: -252.635
Base-Backbone interact. energy: 0.019
local terms energy: -320.833891
where:
bonds (distance) C4'-P energy: -58.528
bonds (distance) P-C4' energy: -74.609
flat angles C4'-P-C4' energy: -66.335
flat angles P-C4'-P energy: -35.835
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: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -880.449181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.449181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.449181 (E_RNA)
where:
Base-Base interactions energy: -570.719
where: short stacking energy: -237.924
Base-Backbone interact. energy: 0.310
local terms energy: -310.040222
where:
bonds (distance) C4'-P energy: -60.030
bonds (distance) P-C4' energy: -61.197
flat angles C4'-P-C4' energy: -64.481
flat angles P-C4'-P energy: -44.041
tors. eta vs tors. theta energy: -80.291
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: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -621.238916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.238916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.238916 (E_RNA)
where:
Base-Base interactions energy: -398.337
where: short stacking energy: -169.425
Base-Backbone interact. energy: 1.013
local terms energy: -223.915203
where:
bonds (distance) C4'-P energy: -56.083
bonds (distance) P-C4' energy: -46.349
flat angles C4'-P-C4' energy: -55.210
flat angles P-C4'-P energy: -33.993
tors. eta vs tors. theta energy: -32.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -415.678812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.678812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.678812 (E_RNA)
where:
Base-Base interactions energy: -215.743
where: short stacking energy: -125.202
Base-Backbone interact. energy: 1.471
local terms energy: -201.406912
where:
bonds (distance) C4'-P energy: -47.148
bonds (distance) P-C4' energy: -63.453
flat angles C4'-P-C4' energy: -48.619
flat angles P-C4'-P energy: -34.564
tors. eta vs tors. theta energy: -7.622
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: 418
Temperature: 1.250000
Total energy: -295.578911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.578911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.578911 (E_RNA)
where:
Base-Base interactions energy: -90.931
where: short stacking energy: -77.092
Base-Backbone interact. energy: 0.130
local terms energy: -204.777660
where:
bonds (distance) C4'-P energy: -62.929
bonds (distance) P-C4' energy: -55.082
flat angles C4'-P-C4' energy: -63.295
flat angles P-C4'-P energy: -35.862
tors. eta vs tors. theta energy: 12.391
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: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -281.403257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.403257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.403257 (E_RNA)
where:
Base-Base interactions energy: -82.088
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.946
local terms energy: -198.368547
where:
bonds (distance) C4'-P energy: -62.342
bonds (distance) P-C4' energy: -64.316
flat angles C4'-P-C4' energy: -47.562
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: -0.428
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: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -250.110251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.110251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.110251 (E_RNA)
where:
Base-Base interactions energy: -77.108
where: short stacking energy: -59.325
Base-Backbone interact. energy: 3.060
local terms energy: -176.061966
where:
bonds (distance) C4'-P energy: -63.630
bonds (distance) P-C4' energy: -56.749
flat angles C4'-P-C4' energy: -47.027
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: 22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1103.764330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.764330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.764330 (E_RNA)
where:
Base-Base interactions energy: -759.774
where: short stacking energy: -306.035
Base-Backbone interact. energy: 0.147
local terms energy: -344.137470
where:
bonds (distance) C4'-P energy: -59.428
bonds (distance) P-C4' energy: -65.483
flat angles C4'-P-C4' energy: -76.254
flat angles P-C4'-P energy: -44.324
tors. eta vs tors. theta energy: -98.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1064.095770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.095770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.095770 (E_RNA)
where:
Base-Base interactions energy: -697.336
where: short stacking energy: -313.337
Base-Backbone interact. energy: -0.654
local terms energy: -366.105513
where:
bonds (distance) C4'-P energy: -59.448
bonds (distance) P-C4' energy: -71.733
flat angles C4'-P-C4' energy: -73.885
flat angles P-C4'-P energy: -51.115
tors. eta vs tors. theta energy: -109.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -993.131530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.131530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.131530 (E_RNA)
where:
Base-Base interactions energy: -671.278
where: short stacking energy: -261.812
Base-Backbone interact. energy: -1.760
local terms energy: -320.093010
where:
bonds (distance) C4'-P energy: -57.818
bonds (distance) P-C4' energy: -64.707
flat angles C4'-P-C4' energy: -71.844
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -82.359
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: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -904.367460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.367460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.367460 (E_RNA)
where:
Base-Base interactions energy: -610.765
where: short stacking energy: -270.086
Base-Backbone interact. energy: -0.776
local terms energy: -292.825772
where:
bonds (distance) C4'-P energy: -67.895
bonds (distance) P-C4' energy: -57.176
flat angles C4'-P-C4' energy: -52.754
flat angles P-C4'-P energy: -37.733
tors. eta vs tors. theta energy: -77.267
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: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -889.148992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.148992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.148992 (E_RNA)
where:
Base-Base interactions energy: -573.707
where: short stacking energy: -238.760
Base-Backbone interact. energy: -0.033
local terms energy: -315.408907
where:
bonds (distance) C4'-P energy: -47.868
bonds (distance) P-C4' energy: -65.257
flat angles C4'-P-C4' energy: -68.437
flat angles P-C4'-P energy: -47.079
tors. eta vs tors. theta energy: -86.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -617.985989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.985989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.985989 (E_RNA)
where:
Base-Base interactions energy: -375.270
where: short stacking energy: -168.953
Base-Backbone interact. energy: -0.003
local terms energy: -242.712095
where:
bonds (distance) C4'-P energy: -53.729
bonds (distance) P-C4' energy: -65.437
flat angles C4'-P-C4' energy: -61.300
flat angles P-C4'-P energy: -27.523
tors. eta vs tors. theta energy: -34.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -422.463998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.463998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.463998 (E_RNA)
where:
Base-Base interactions energy: -217.567
where: short stacking energy: -104.177
Base-Backbone interact. energy: -1.758
local terms energy: -203.139354
where:
bonds (distance) C4'-P energy: -52.557
bonds (distance) P-C4' energy: -62.125
flat angles C4'-P-C4' energy: -55.437
flat angles P-C4'-P energy: -23.972
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -311.681301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.681301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.681301 (E_RNA)
where:
Base-Base interactions energy: -104.377
where: short stacking energy: -84.730
Base-Backbone interact. energy: -0.301
local terms energy: -207.003559
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -65.762
flat angles C4'-P-C4' energy: -59.313
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -279.852279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.852279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.852279 (E_RNA)
where:
Base-Base interactions energy: -87.083
where: short stacking energy: -71.957
Base-Backbone interact. energy: -1.720
local terms energy: -191.049493
where:
bonds (distance) C4'-P energy: -57.171
bonds (distance) P-C4' energy: -55.052
flat angles C4'-P-C4' energy: -49.614
flat angles P-C4'-P energy: -28.495
tors. eta vs tors. theta energy: -0.716
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: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -296.201651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.201651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.201651 (E_RNA)
where:
Base-Base interactions energy: -109.259
where: short stacking energy: -66.046
Base-Backbone interact. energy: 7.157
local terms energy: -194.099380
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -62.096
flat angles C4'-P-C4' energy: -61.313
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: 8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1120.027469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.027469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.027469 (E_RNA)
where:
Base-Base interactions energy: -762.633
where: short stacking energy: -313.048
Base-Backbone interact. energy: -2.804
local terms energy: -354.589875
where:
bonds (distance) C4'-P energy: -69.953
bonds (distance) P-C4' energy: -67.627
flat angles C4'-P-C4' energy: -66.846
flat angles P-C4'-P energy: -53.473
tors. eta vs tors. theta energy: -96.690
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: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1047.636836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.636836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.636836 (E_RNA)
where:
Base-Base interactions energy: -699.839
where: short stacking energy: -303.216
Base-Backbone interact. energy: -0.774
local terms energy: -347.023987
where:
bonds (distance) C4'-P energy: -58.278
bonds (distance) P-C4' energy: -59.185
flat angles C4'-P-C4' energy: -68.054
flat angles P-C4'-P energy: -55.446
tors. eta vs tors. theta energy: -106.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1000.849564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.849564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.849564 (E_RNA)
where:
Base-Base interactions energy: -666.184
where: short stacking energy: -281.273
Base-Backbone interact. energy: 1.127
local terms energy: -335.792414
where:
bonds (distance) C4'-P energy: -64.490
bonds (distance) P-C4' energy: -67.468
flat angles C4'-P-C4' energy: -72.016
flat angles P-C4'-P energy: -45.744
tors. eta vs tors. theta energy: -86.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -908.070135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.070135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.070135 (E_RNA)
where:
Base-Base interactions energy: -610.156
where: short stacking energy: -263.803
Base-Backbone interact. energy: -1.593
local terms energy: -296.321116
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -51.490
flat angles C4'-P-C4' energy: -75.733
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: -79.194
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: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -830.221506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.221506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.221506 (E_RNA)
where:
Base-Base interactions energy: -542.513
where: short stacking energy: -227.887
Base-Backbone interact. energy: -0.775
local terms energy: -286.933545
where:
bonds (distance) C4'-P energy: -56.805
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -69.634
flat angles P-C4'-P energy: -33.802
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: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -630.207453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.207453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.207453 (E_RNA)
where:
Base-Base interactions energy: -373.764
where: short stacking energy: -161.113
Base-Backbone interact. energy: 5.573
local terms energy: -262.015998
where:
bonds (distance) C4'-P energy: -54.414
bonds (distance) P-C4' energy: -64.789
flat angles C4'-P-C4' energy: -64.691
flat angles P-C4'-P energy: -46.045
tors. eta vs tors. theta energy: -32.077
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: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -457.800445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.800445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.800445 (E_RNA)
where:
Base-Base interactions energy: -246.250
where: short stacking energy: -113.357
Base-Backbone interact. energy: 0.185
local terms energy: -211.735304
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -62.141
flat angles C4'-P-C4' energy: -52.386
flat angles P-C4'-P energy: -25.044
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -324.647238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.647238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.647238 (E_RNA)
where:
Base-Base interactions energy: -137.070
where: short stacking energy: -77.514
Base-Backbone interact. energy: -2.778
local terms energy: -184.799724
where:
bonds (distance) C4'-P energy: -47.311
bonds (distance) P-C4' energy: -67.439
flat angles C4'-P-C4' energy: -50.003
flat angles P-C4'-P energy: -35.174
tors. eta vs tors. theta energy: 15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -269.438304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.438304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.438304 (E_RNA)
where:
Base-Base interactions energy: -103.467
where: short stacking energy: -62.451
Base-Backbone interact. energy: 1.540
local terms energy: -167.510909
where:
bonds (distance) C4'-P energy: -55.261
bonds (distance) P-C4' energy: -68.085
flat angles C4'-P-C4' energy: -42.691
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: 19.888
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: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -288.394626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.394626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.394626 (E_RNA)
where:
Base-Base interactions energy: -109.367
where: short stacking energy: -76.617
Base-Backbone interact. energy: 0.602
local terms energy: -179.629937
where:
bonds (distance) C4'-P energy: -39.392
bonds (distance) P-C4' energy: -64.496
flat angles C4'-P-C4' energy: -47.439
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1122.924931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.924931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.924931 (E_RNA)
where:
Base-Base interactions energy: -773.427
where: short stacking energy: -294.261
Base-Backbone interact. energy: -0.143
local terms energy: -349.355339
where:
bonds (distance) C4'-P energy: -68.196
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -67.069
flat angles P-C4'-P energy: -53.574
tors. eta vs tors. theta energy: -91.405
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: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1055.864663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.864663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.864663 (E_RNA)
where:
Base-Base interactions energy: -702.729
where: short stacking energy: -310.965
Base-Backbone interact. energy: -0.330
local terms energy: -352.806088
where:
bonds (distance) C4'-P energy: -67.995
bonds (distance) P-C4' energy: -59.602
flat angles C4'-P-C4' energy: -75.790
flat angles P-C4'-P energy: -48.535
tors. eta vs tors. theta energy: -100.885
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: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -972.717401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.717401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.717401 (E_RNA)
where:
Base-Base interactions energy: -661.729
where: short stacking energy: -267.385
Base-Backbone interact. energy: 0.347
local terms energy: -311.335051
where:
bonds (distance) C4'-P energy: -66.710
bonds (distance) P-C4' energy: -62.661
flat angles C4'-P-C4' energy: -66.793
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: -73.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -903.229154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.229154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.229154 (E_RNA)
where:
Base-Base interactions energy: -599.849
where: short stacking energy: -263.232
Base-Backbone interact. energy: -0.788
local terms energy: -302.591932
where:
bonds (distance) C4'-P energy: -59.035
bonds (distance) P-C4' energy: -61.957
flat angles C4'-P-C4' energy: -61.448
flat angles P-C4'-P energy: -35.881
tors. eta vs tors. theta energy: -84.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -879.897120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.897120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.897120 (E_RNA)
where:
Base-Base interactions energy: -577.127
where: short stacking energy: -245.096
Base-Backbone interact. energy: -0.895
local terms energy: -301.875438
where:
bonds (distance) C4'-P energy: -56.067
bonds (distance) P-C4' energy: -63.358
flat angles C4'-P-C4' energy: -64.889
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -75.507
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: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -528.157544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.157544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.157544 (E_RNA)
where:
Base-Base interactions energy: -268.516
where: short stacking energy: -115.384
Base-Backbone interact. energy: -1.042
local terms energy: -258.599030
where:
bonds (distance) C4'-P energy: -60.110
bonds (distance) P-C4' energy: -69.051
flat angles C4'-P-C4' energy: -62.028
flat angles P-C4'-P energy: -37.293
tors. eta vs tors. theta energy: -30.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -499.467879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.467879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.467879 (E_RNA)
where:
Base-Base interactions energy: -270.523
where: short stacking energy: -145.270
Base-Backbone interact. energy: 0.900
local terms energy: -229.844607
where:
bonds (distance) C4'-P energy: -59.814
bonds (distance) P-C4' energy: -56.101
flat angles C4'-P-C4' energy: -63.182
flat angles P-C4'-P energy: -32.951
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -293.471544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.471544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.471544 (E_RNA)
where:
Base-Base interactions energy: -92.372
where: short stacking energy: -72.204
Base-Backbone interact. energy: -1.040
local terms energy: -200.059600
where:
bonds (distance) C4'-P energy: -59.892
bonds (distance) P-C4' energy: -60.485
flat angles C4'-P-C4' energy: -56.842
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: 9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -273.271448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.271448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.271448 (E_RNA)
where:
Base-Base interactions energy: -112.727
where: short stacking energy: -83.899
Base-Backbone interact. energy: 0.996
local terms energy: -161.540561
where:
bonds (distance) C4'-P energy: -51.322
bonds (distance) P-C4' energy: -50.970
flat angles C4'-P-C4' energy: -46.558
flat angles P-C4'-P energy: -24.203
tors. eta vs tors. theta energy: 11.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -256.628638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.628638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.628638 (E_RNA)
where:
Base-Base interactions energy: -69.014
where: short stacking energy: -68.561
Base-Backbone interact. energy: -1.780
local terms energy: -185.833830
where:
bonds (distance) C4'-P energy: -54.509
bonds (distance) P-C4' energy: -57.366
flat angles C4'-P-C4' energy: -55.705
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: 5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1094.785377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.785377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.785377 (E_RNA)
where:
Base-Base interactions energy: -743.448
where: short stacking energy: -307.133
Base-Backbone interact. energy: 0.144
local terms energy: -351.480803
where:
bonds (distance) C4'-P energy: -64.842
bonds (distance) P-C4' energy: -72.389
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -45.683
tors. eta vs tors. theta energy: -96.406
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: 2, replica: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1085.165550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.165550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.165550 (E_RNA)
where:
Base-Base interactions energy: -734.276
where: short stacking energy: -315.635
Base-Backbone interact. energy: -1.062
local terms energy: -349.827041
where:
bonds (distance) C4'-P energy: -57.082
bonds (distance) P-C4' energy: -67.826
flat angles C4'-P-C4' energy: -72.284
flat angles P-C4'-P energy: -47.846
tors. eta vs tors. theta energy: -104.788
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: 422
Temperature: 1.000000
Total energy: -962.364685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.364685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.364685 (E_RNA)
where:
Base-Base interactions energy: -647.348
where: short stacking energy: -256.670
Base-Backbone interact. energy: -0.045
local terms energy: -314.971633
where:
bonds (distance) C4'-P energy: -62.144
bonds (distance) P-C4' energy: -61.821
flat angles C4'-P-C4' energy: -62.450
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -78.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -931.259998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.259998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.259998 (E_RNA)
where:
Base-Base interactions energy: -610.843
where: short stacking energy: -271.446
Base-Backbone interact. energy: -2.279
local terms energy: -318.138121
where:
bonds (distance) C4'-P energy: -52.221
bonds (distance) P-C4' energy: -64.694
flat angles C4'-P-C4' energy: -67.787
flat angles P-C4'-P energy: -48.335
tors. eta vs tors. theta energy: -85.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -847.441519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.441519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.441519 (E_RNA)
where:
Base-Base interactions energy: -544.951
where: short stacking energy: -240.661
Base-Backbone interact. energy: -1.734
local terms energy: -300.756159
where:
bonds (distance) C4'-P energy: -62.679
bonds (distance) P-C4' energy: -62.310
flat angles C4'-P-C4' energy: -63.964
flat angles P-C4'-P energy: -44.871
tors. eta vs tors. theta energy: -66.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -486.824508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.824508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.824508 (E_RNA)
where:
Base-Base interactions energy: -263.419
where: short stacking energy: -115.627
Base-Backbone interact. energy: -0.742
local terms energy: -222.663556
where:
bonds (distance) C4'-P energy: -63.376
bonds (distance) P-C4' energy: -56.446
flat angles C4'-P-C4' energy: -61.079
flat angles P-C4'-P energy: -34.536
tors. eta vs tors. theta energy: -7.227
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: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -483.361273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.361273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.361273 (E_RNA)
where:
Base-Base interactions energy: -237.290
where: short stacking energy: -109.371
Base-Backbone interact. energy: -1.337
local terms energy: -244.734424
where:
bonds (distance) C4'-P energy: -52.999
bonds (distance) P-C4' energy: -69.195
flat angles C4'-P-C4' energy: -62.320
flat angles P-C4'-P energy: -44.910
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -329.291497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.291497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.291497 (E_RNA)
where:
Base-Base interactions energy: -125.761
where: short stacking energy: -106.286
Base-Backbone interact. energy: 1.327
local terms energy: -204.857864
where:
bonds (distance) C4'-P energy: -45.851
bonds (distance) P-C4' energy: -66.501
flat angles C4'-P-C4' energy: -47.472
flat angles P-C4'-P energy: -33.012
tors. eta vs tors. theta energy: -12.022
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: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -302.362442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.362442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.362442 (E_RNA)
where:
Base-Base interactions energy: -100.590
where: short stacking energy: -80.612
Base-Backbone interact. energy: -1.417
local terms energy: -200.355178
where:
bonds (distance) C4'-P energy: -56.866
bonds (distance) P-C4' energy: -65.695
flat angles C4'-P-C4' energy: -44.520
flat angles P-C4'-P energy: -40.472
tors. eta vs tors. theta energy: 7.197
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: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -250.626568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.626568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.626568 (E_RNA)
where:
Base-Base interactions energy: -88.349
where: short stacking energy: -58.206
Base-Backbone interact. energy: 0.834
local terms energy: -163.111786
where:
bonds (distance) C4'-P energy: -60.059
bonds (distance) P-C4' energy: -53.211
flat angles C4'-P-C4' energy: -46.224
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: 12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1117.356392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.356392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.356392 (E_RNA)
where:
Base-Base interactions energy: -776.228
where: short stacking energy: -301.786
Base-Backbone interact. energy: -3.050
local terms energy: -338.077905
where:
bonds (distance) C4'-P energy: -64.632
bonds (distance) P-C4' energy: -56.823
flat angles C4'-P-C4' energy: -76.531
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -97.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1060.850105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.850105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.850105 (E_RNA)
where:
Base-Base interactions energy: -699.565
where: short stacking energy: -301.580
Base-Backbone interact. energy: -0.335
local terms energy: -360.949729
where:
bonds (distance) C4'-P energy: -66.771
bonds (distance) P-C4' energy: -59.923
flat angles C4'-P-C4' energy: -78.460
flat angles P-C4'-P energy: -47.759
tors. eta vs tors. theta energy: -108.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -990.644569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.644569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.644569 (E_RNA)
where:
Base-Base interactions energy: -648.802
where: short stacking energy: -267.398
Base-Backbone interact. energy: -2.958
local terms energy: -338.883851
where:
bonds (distance) C4'-P energy: -61.573
bonds (distance) P-C4' energy: -74.960
flat angles C4'-P-C4' energy: -65.041
flat angles P-C4'-P energy: -44.146
tors. eta vs tors. theta energy: -93.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -943.893171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.893171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.893171 (E_RNA)
where:
Base-Base interactions energy: -609.548
where: short stacking energy: -258.463
Base-Backbone interact. energy: -0.571
local terms energy: -334.058065
where:
bonds (distance) C4'-P energy: -60.167
bonds (distance) P-C4' energy: -75.162
flat angles C4'-P-C4' energy: -68.527
flat angles P-C4'-P energy: -42.759
tors. eta vs tors. theta energy: -87.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.284 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -857.673124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.673124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.673124 (E_RNA)
where:
Base-Base interactions energy: -546.142
where: short stacking energy: -257.410
Base-Backbone interact. energy: -0.278
local terms energy: -311.253557
where:
bonds (distance) C4'-P energy: -57.971
bonds (distance) P-C4' energy: -63.883
flat angles C4'-P-C4' energy: -70.051
flat angles P-C4'-P energy: -36.217
tors. eta vs tors. theta energy: -83.131
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: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -518.859724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.859724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.859724 (E_RNA)
where:
Base-Base interactions energy: -287.033
where: short stacking energy: -123.242
Base-Backbone interact. energy: 2.206
local terms energy: -234.032194
where:
bonds (distance) C4'-P energy: -66.116
bonds (distance) P-C4' energy: -69.585
flat angles C4'-P-C4' energy: -52.486
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -15.935
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: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -505.057914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.057914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.057914 (E_RNA)
where:
Base-Base interactions energy: -277.496
where: short stacking energy: -130.415
Base-Backbone interact. energy: -1.077
local terms energy: -226.485055
where:
bonds (distance) C4'-P energy: -49.389
bonds (distance) P-C4' energy: -57.116
flat angles C4'-P-C4' energy: -59.999
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -295.511026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.511026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.511026 (E_RNA)
where:
Base-Base interactions energy: -99.539
where: short stacking energy: -74.324
Base-Backbone interact. energy: 0.416
local terms energy: -196.387972
where:
bonds (distance) C4'-P energy: -55.635
bonds (distance) P-C4' energy: -57.219
flat angles C4'-P-C4' energy: -42.895
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -315.575300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.575300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.575300 (E_RNA)
where:
Base-Base interactions energy: -133.471
where: short stacking energy: -76.966
Base-Backbone interact. energy: -0.041
local terms energy: -182.063681
where:
bonds (distance) C4'-P energy: -50.546
bonds (distance) P-C4' energy: -56.438
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: 5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -251.125923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.125923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.125923 (E_RNA)
where:
Base-Base interactions energy: -76.908
where: short stacking energy: -56.547
Base-Backbone interact. energy: 0.212
local terms energy: -174.429808
where:
bonds (distance) C4'-P energy: -61.143
bonds (distance) P-C4' energy: -51.636
flat angles C4'-P-C4' energy: -46.385
flat angles P-C4'-P energy: -40.483
tors. eta vs tors. theta energy: 25.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1120.797272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.797272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.797272 (E_RNA)
where:
Base-Base interactions energy: -765.179
where: short stacking energy: -306.695
Base-Backbone interact. energy: -1.268
local terms energy: -354.350036
where:
bonds (distance) C4'-P energy: -77.341
bonds (distance) P-C4' energy: -58.176
flat angles C4'-P-C4' energy: -72.767
flat angles P-C4'-P energy: -42.909
tors. eta vs tors. theta energy: -103.158
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: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1068.197965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.197965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.197965 (E_RNA)
where:
Base-Base interactions energy: -712.593
where: short stacking energy: -325.484
Base-Backbone interact. energy: -0.068
local terms energy: -355.537143
where:
bonds (distance) C4'-P energy: -54.679
bonds (distance) P-C4' energy: -68.767
flat angles C4'-P-C4' energy: -77.573
flat angles P-C4'-P energy: -48.782
tors. eta vs tors. theta energy: -105.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -993.971514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.971514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.971514 (E_RNA)
where:
Base-Base interactions energy: -678.766
where: short stacking energy: -275.802
Base-Backbone interact. energy: 1.072
local terms energy: -316.505141
where:
bonds (distance) C4'-P energy: -61.251
bonds (distance) P-C4' energy: -58.207
flat angles C4'-P-C4' energy: -63.203
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -87.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.228 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -946.018460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.018460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.018460 (E_RNA)
where:
Base-Base interactions energy: -622.806
where: short stacking energy: -270.560
Base-Backbone interact. energy: -1.095
local terms energy: -322.118188
where:
bonds (distance) C4'-P energy: -55.595
bonds (distance) P-C4' energy: -56.762
flat angles C4'-P-C4' energy: -71.987
flat angles P-C4'-P energy: -48.115
tors. eta vs tors. theta energy: -89.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -845.972920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.972920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.972920 (E_RNA)
where:
Base-Base interactions energy: -550.700
where: short stacking energy: -253.665
Base-Backbone interact. energy: -0.582
local terms energy: -294.690399
where:
bonds (distance) C4'-P energy: -54.454
bonds (distance) P-C4' energy: -59.649
flat angles C4'-P-C4' energy: -60.592
flat angles P-C4'-P energy: -38.154
tors. eta vs tors. theta energy: -81.841
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: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -470.877011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.877011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.877011 (E_RNA)
where:
Base-Base interactions energy: -245.725
where: short stacking energy: -110.975
Base-Backbone interact. energy: 1.275
local terms energy: -226.427012
where:
bonds (distance) C4'-P energy: -58.177
bonds (distance) P-C4' energy: -67.524
flat angles C4'-P-C4' energy: -58.766
flat angles P-C4'-P energy: -40.529
tors. eta vs tors. theta energy: -1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -476.054136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.054136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.054136 (E_RNA)
where:
Base-Base interactions energy: -244.947
where: short stacking energy: -122.322
Base-Backbone interact. energy: 1.053
local terms energy: -232.159687
where:
bonds (distance) C4'-P energy: -59.453
bonds (distance) P-C4' energy: -66.165
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: -15.668
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: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -323.092199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.092199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.092199 (E_RNA)
where:
Base-Base interactions energy: -137.716
where: short stacking energy: -103.512
Base-Backbone interact. energy: 1.554
local terms energy: -186.930304
where:
bonds (distance) C4'-P energy: -61.444
bonds (distance) P-C4' energy: -46.238
flat angles C4'-P-C4' energy: -46.793
flat angles P-C4'-P energy: -29.668
tors. eta vs tors. theta energy: -2.787
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: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -293.295700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.295700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.295700 (E_RNA)
where:
Base-Base interactions energy: -87.114
where: short stacking energy: -76.655
Base-Backbone interact. energy: -0.119
local terms energy: -206.062340
where:
bonds (distance) C4'-P energy: -67.867
bonds (distance) P-C4' energy: -63.009
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -28.497
tors. eta vs tors. theta energy: 7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -277.052139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.052139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.052139 (E_RNA)
where:
Base-Base interactions energy: -105.011
where: short stacking energy: -75.719
Base-Backbone interact. energy: -0.287
local terms energy: -171.754031
where:
bonds (distance) C4'-P energy: -51.724
bonds (distance) P-C4' energy: -60.746
flat angles C4'-P-C4' energy: -34.066
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: 5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1106.998424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.998424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.998424 (E_RNA)
where:
Base-Base interactions energy: -760.550
where: short stacking energy: -299.505
Base-Backbone interact. energy: -1.088
local terms energy: -345.360810
where:
bonds (distance) C4'-P energy: -57.498
bonds (distance) P-C4' energy: -69.558
flat angles C4'-P-C4' energy: -67.586
flat angles P-C4'-P energy: -48.230
tors. eta vs tors. theta energy: -102.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1053.237568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.237568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.237568 (E_RNA)
where:
Base-Base interactions energy: -692.549
where: short stacking energy: -296.270
Base-Backbone interact. energy: -0.546
local terms energy: -360.142831
where:
bonds (distance) C4'-P energy: -63.820
bonds (distance) P-C4' energy: -66.725
flat angles C4'-P-C4' energy: -81.966
flat angles P-C4'-P energy: -45.811
tors. eta vs tors. theta energy: -101.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -984.276441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.276441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.276441 (E_RNA)
where:
Base-Base interactions energy: -657.411
where: short stacking energy: -276.195
Base-Backbone interact. energy: -1.786
local terms energy: -325.079144
where:
bonds (distance) C4'-P energy: -51.430
bonds (distance) P-C4' energy: -56.028
flat angles C4'-P-C4' energy: -77.315
flat angles P-C4'-P energy: -46.936
tors. eta vs tors. theta energy: -93.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -969.200210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.200210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.200210 (E_RNA)
where:
Base-Base interactions energy: -625.951
where: short stacking energy: -290.979
Base-Backbone interact. energy: -0.539
local terms energy: -342.710332
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -71.541
flat angles C4'-P-C4' energy: -65.385
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -98.791
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: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -870.406907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.406907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.406907 (E_RNA)
where:
Base-Base interactions energy: -571.043
where: short stacking energy: -249.761
Base-Backbone interact. energy: -0.999
local terms energy: -298.364946
where:
bonds (distance) C4'-P energy: -61.919
bonds (distance) P-C4' energy: -66.545
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -71.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -483.511323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.511323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.511323 (E_RNA)
where:
Base-Base interactions energy: -255.160
where: short stacking energy: -132.310
Base-Backbone interact. energy: -1.610
local terms energy: -226.741851
where:
bonds (distance) C4'-P energy: -61.727
bonds (distance) P-C4' energy: -70.491
flat angles C4'-P-C4' energy: -52.298
flat angles P-C4'-P energy: -26.424
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -501.766822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.766822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.766822 (E_RNA)
where:
Base-Base interactions energy: -255.464
where: short stacking energy: -144.319
Base-Backbone interact. energy: -0.678
local terms energy: -245.624324
where:
bonds (distance) C4'-P energy: -69.283
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -57.503
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -31.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -311.974151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.974151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.974151 (E_RNA)
where:
Base-Base interactions energy: -107.651
where: short stacking energy: -82.197
Base-Backbone interact. energy: 2.591
local terms energy: -206.914356
where:
bonds (distance) C4'-P energy: -61.906
bonds (distance) P-C4' energy: -66.695
flat angles C4'-P-C4' energy: -46.593
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -302.563956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.563956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.563956 (E_RNA)
where:
Base-Base interactions energy: -108.936
where: short stacking energy: -79.402
Base-Backbone interact. energy: -1.513
local terms energy: -192.115944
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -70.004
flat angles C4'-P-C4' energy: -48.717
flat angles P-C4'-P energy: -29.400
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -260.786197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.786197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.786197 (E_RNA)
where:
Base-Base interactions energy: -81.020
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.463
local terms energy: -179.303144
where:
bonds (distance) C4'-P energy: -51.337
bonds (distance) P-C4' energy: -53.004
flat angles C4'-P-C4' energy: -57.720
flat angles P-C4'-P energy: -29.320
tors. eta vs tors. theta energy: 12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1090.739456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.739456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.739456 (E_RNA)
where:
Base-Base interactions energy: -773.449
where: short stacking energy: -292.356
Base-Backbone interact. energy: -0.472
local terms energy: -316.819027
where:
bonds (distance) C4'-P energy: -47.619
bonds (distance) P-C4' energy: -67.424
flat angles C4'-P-C4' energy: -73.257
flat angles P-C4'-P energy: -36.915
tors. eta vs tors. theta energy: -91.604
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: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1068.493011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.493011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.493011 (E_RNA)
where:
Base-Base interactions energy: -713.883
where: short stacking energy: -314.049
Base-Backbone interact. energy: -0.802
local terms energy: -353.808077
where:
bonds (distance) C4'-P energy: -70.255
bonds (distance) P-C4' energy: -62.247
flat angles C4'-P-C4' energy: -69.839
flat angles P-C4'-P energy: -51.124
tors. eta vs tors. theta energy: -100.343
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: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -990.426515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.426515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.426515 (E_RNA)
where:
Base-Base interactions energy: -663.336
where: short stacking energy: -293.318
Base-Backbone interact. energy: -0.254
local terms energy: -326.836473
where:
bonds (distance) C4'-P energy: -53.837
bonds (distance) P-C4' energy: -60.268
flat angles C4'-P-C4' energy: -74.772
flat angles P-C4'-P energy: -46.834
tors. eta vs tors. theta energy: -91.126
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: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -951.415056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.415056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.415056 (E_RNA)
where:
Base-Base interactions energy: -629.782
where: short stacking energy: -255.242
Base-Backbone interact. energy: -1.254
local terms energy: -320.378976
where:
bonds (distance) C4'-P energy: -68.326
bonds (distance) P-C4' energy: -60.440
flat angles C4'-P-C4' energy: -70.468
flat angles P-C4'-P energy: -38.401
tors. eta vs tors. theta energy: -82.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -844.473370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.473370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.473370 (E_RNA)
where:
Base-Base interactions energy: -552.808
where: short stacking energy: -242.951
Base-Backbone interact. energy: 2.025
local terms energy: -293.690370
where:
bonds (distance) C4'-P energy: -56.593
bonds (distance) P-C4' energy: -65.666
flat angles C4'-P-C4' energy: -62.975
flat angles P-C4'-P energy: -41.172
tors. eta vs tors. theta energy: -67.284
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: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -470.966871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.966871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.966871 (E_RNA)
where:
Base-Base interactions energy: -235.604
where: short stacking energy: -115.822
Base-Backbone interact. energy: -2.402
local terms energy: -232.960916
where:
bonds (distance) C4'-P energy: -59.276
bonds (distance) P-C4' energy: -67.151
flat angles C4'-P-C4' energy: -53.316
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -457.034186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.034186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.034186 (E_RNA)
where:
Base-Base interactions energy: -218.362
where: short stacking energy: -118.677
Base-Backbone interact. energy: -0.441
local terms energy: -238.230609
where:
bonds (distance) C4'-P energy: -61.779
bonds (distance) P-C4' energy: -57.875
flat angles C4'-P-C4' energy: -61.853
flat angles P-C4'-P energy: -31.833
tors. eta vs tors. theta energy: -24.891
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: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -341.183855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.183855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.183855 (E_RNA)
where:
Base-Base interactions energy: -120.638
where: short stacking energy: -102.277
Base-Backbone interact. energy: 0.673
local terms energy: -221.218976
where:
bonds (distance) C4'-P energy: -64.256
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -62.343
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: 0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -280.032236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.032236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.032236 (E_RNA)
where:
Base-Base interactions energy: -97.634
where: short stacking energy: -71.238
Base-Backbone interact. energy: 3.397
local terms energy: -185.795222
where:
bonds (distance) C4'-P energy: -49.482
bonds (distance) P-C4' energy: -57.479
flat angles C4'-P-C4' energy: -44.572
flat angles P-C4'-P energy: -37.811
tors. eta vs tors. theta energy: 3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -271.112331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.112331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.112331 (E_RNA)
where:
Base-Base interactions energy: -94.689
where: short stacking energy: -72.206
Base-Backbone interact. energy: 0.041
local terms energy: -176.463756
where:
bonds (distance) C4'-P energy: -62.085
bonds (distance) P-C4' energy: -56.900
flat angles C4'-P-C4' energy: -55.667
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: 9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1113.792533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.792533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.792533 (E_RNA)
where:
Base-Base interactions energy: -745.021
where: short stacking energy: -294.277
Base-Backbone interact. energy: -2.219
local terms energy: -366.552360
where:
bonds (distance) C4'-P energy: -69.563
bonds (distance) P-C4' energy: -76.008
flat angles C4'-P-C4' energy: -71.829
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -97.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1062.380779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.380779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.380779 (E_RNA)
where:
Base-Base interactions energy: -702.066
where: short stacking energy: -289.877
Base-Backbone interact. energy: 0.035
local terms energy: -360.684280
where:
bonds (distance) C4'-P energy: -67.750
bonds (distance) P-C4' energy: -65.724
flat angles C4'-P-C4' energy: -74.701
flat angles P-C4'-P energy: -52.062
tors. eta vs tors. theta energy: -100.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.335 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1001.297250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.297250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.297250 (E_RNA)
where:
Base-Base interactions energy: -648.958
where: short stacking energy: -287.531
Base-Backbone interact. energy: -0.297
local terms energy: -352.042563
where:
bonds (distance) C4'-P energy: -61.487
bonds (distance) P-C4' energy: -69.519
flat angles C4'-P-C4' energy: -68.924
flat angles P-C4'-P energy: -50.636
tors. eta vs tors. theta energy: -101.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -879.380442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.380442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.380442 (E_RNA)
where:
Base-Base interactions energy: -567.812
where: short stacking energy: -232.813
Base-Backbone interact. energy: 0.145
local terms energy: -311.712957
where:
bonds (distance) C4'-P energy: -66.055
bonds (distance) P-C4' energy: -67.283
flat angles C4'-P-C4' energy: -54.358
flat angles P-C4'-P energy: -52.028
tors. eta vs tors. theta energy: -71.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -929.093641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.093641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.093641 (E_RNA)
where:
Base-Base interactions energy: -601.510
where: short stacking energy: -242.789
Base-Backbone interact. energy: 1.981
local terms energy: -329.564884
where:
bonds (distance) C4'-P energy: -64.018
bonds (distance) P-C4' energy: -52.855
flat angles C4'-P-C4' energy: -77.597
flat angles P-C4'-P energy: -47.883
tors. eta vs tors. theta energy: -87.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -545.266740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.266740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.266740 (E_RNA)
where:
Base-Base interactions energy: -286.860
where: short stacking energy: -159.649
Base-Backbone interact. energy: -1.429
local terms energy: -256.978064
where:
bonds (distance) C4'-P energy: -55.230
bonds (distance) P-C4' energy: -71.545
flat angles C4'-P-C4' energy: -61.487
flat angles P-C4'-P energy: -39.154
tors. eta vs tors. theta energy: -29.562
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: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -485.219554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.219554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.219554 (E_RNA)
where:
Base-Base interactions energy: -257.786
where: short stacking energy: -141.445
Base-Backbone interact. energy: -1.687
local terms energy: -227.104817
where:
bonds (distance) C4'-P energy: -54.111
bonds (distance) P-C4' energy: -53.670
flat angles C4'-P-C4' energy: -62.761
flat angles P-C4'-P energy: -43.826
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.359 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -336.253045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.253045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.253045 (E_RNA)
where:
Base-Base interactions energy: -119.803
where: short stacking energy: -82.808
Base-Backbone interact. energy: 0.032
local terms energy: -216.481735
where:
bonds (distance) C4'-P energy: -53.900
bonds (distance) P-C4' energy: -68.550
flat angles C4'-P-C4' energy: -52.104
flat angles P-C4'-P energy: -33.691
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -285.059186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.059186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.059186 (E_RNA)
where:
Base-Base interactions energy: -110.504
where: short stacking energy: -71.932
Base-Backbone interact. energy: 4.560
local terms energy: -179.115258
where:
bonds (distance) C4'-P energy: -61.573
bonds (distance) P-C4' energy: -65.128
flat angles C4'-P-C4' energy: -45.182
flat angles P-C4'-P energy: -29.107
tors. eta vs tors. theta energy: 21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -251.206236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.206236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.206236 (E_RNA)
where:
Base-Base interactions energy: -69.416
where: short stacking energy: -60.314
Base-Backbone interact. energy: -1.554
local terms energy: -180.236303
where:
bonds (distance) C4'-P energy: -61.530
bonds (distance) P-C4' energy: -46.721
flat angles C4'-P-C4' energy: -51.389
flat angles P-C4'-P energy: -25.517
tors. eta vs tors. theta energy: 4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1121.082536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.082536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.082536 (E_RNA)
where:
Base-Base interactions energy: -766.228
where: short stacking energy: -310.993
Base-Backbone interact. energy: -1.896
local terms energy: -352.959206
where:
bonds (distance) C4'-P energy: -64.520
bonds (distance) P-C4' energy: -70.179
flat angles C4'-P-C4' energy: -70.844
flat angles P-C4'-P energy: -48.046
tors. eta vs tors. theta energy: -99.370
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: 9
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1070.657539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.657539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.657539 (E_RNA)
where:
Base-Base interactions energy: -696.620
where: short stacking energy: -308.836
Base-Backbone interact. energy: -1.192
local terms energy: -372.846046
where:
bonds (distance) C4'-P energy: -70.558
bonds (distance) P-C4' energy: -75.830
flat angles C4'-P-C4' energy: -68.350
flat angles P-C4'-P energy: -49.229
tors. eta vs tors. theta energy: -108.880
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: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1007.022695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.022695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.022695 (E_RNA)
where:
Base-Base interactions energy: -641.472
where: short stacking energy: -281.815
Base-Backbone interact. energy: 1.501
local terms energy: -367.052377
where:
bonds (distance) C4'-P energy: -70.896
bonds (distance) P-C4' energy: -71.778
flat angles C4'-P-C4' energy: -78.188
flat angles P-C4'-P energy: -47.227
tors. eta vs tors. theta energy: -98.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -895.491102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.491102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.491102 (E_RNA)
where:
Base-Base interactions energy: -614.259
where: short stacking energy: -249.091
Base-Backbone interact. energy: -0.138
local terms energy: -281.094897
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -53.633
flat angles C4'-P-C4' energy: -73.471
flat angles P-C4'-P energy: -32.996
tors. eta vs tors. theta energy: -74.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -905.123680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.123680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.123680 (E_RNA)
where:
Base-Base interactions energy: -600.738
where: short stacking energy: -245.658
Base-Backbone interact. energy: -1.249
local terms energy: -303.136686
where:
bonds (distance) C4'-P energy: -60.808
bonds (distance) P-C4' energy: -64.759
flat angles C4'-P-C4' energy: -64.354
flat angles P-C4'-P energy: -39.116
tors. eta vs tors. theta energy: -74.100
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: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -519.424234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.424234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.424234 (E_RNA)
where:
Base-Base interactions energy: -273.815
where: short stacking energy: -128.012
Base-Backbone interact. energy: 3.279
local terms energy: -248.887515
where:
bonds (distance) C4'-P energy: -57.532
bonds (distance) P-C4' energy: -66.974
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -36.730
tors. eta vs tors. theta energy: -22.930
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: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -444.679355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.679355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.679355 (E_RNA)
where:
Base-Base interactions energy: -219.554
where: short stacking energy: -100.219
Base-Backbone interact. energy: -2.196
local terms energy: -222.928635
where:
bonds (distance) C4'-P energy: -65.044
bonds (distance) P-C4' energy: -69.442
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -33.926
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -286.958064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.958064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.958064 (E_RNA)
where:
Base-Base interactions energy: -83.033
where: short stacking energy: -78.870
Base-Backbone interact. energy: -0.720
local terms energy: -203.204728
where:
bonds (distance) C4'-P energy: -64.277
bonds (distance) P-C4' energy: -57.072
flat angles C4'-P-C4' energy: -52.094
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -296.236181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.236181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.236181 (E_RNA)
where:
Base-Base interactions energy: -119.521
where: short stacking energy: -85.825
Base-Backbone interact. energy: -0.167
local terms energy: -176.548640
where:
bonds (distance) C4'-P energy: -59.360
bonds (distance) P-C4' energy: -55.898
flat angles C4'-P-C4' energy: -40.621
flat angles P-C4'-P energy: -32.298
tors. eta vs tors. theta energy: 11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -282.261298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.261298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.261298 (E_RNA)
where:
Base-Base interactions energy: -90.004
where: short stacking energy: -77.748
Base-Backbone interact. energy: -0.098
local terms energy: -192.159854
where:
bonds (distance) C4'-P energy: -60.230
bonds (distance) P-C4' energy: -68.136
flat angles C4'-P-C4' energy: -45.660
flat angles P-C4'-P energy: -38.513
tors. eta vs tors. theta energy: 20.379
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: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1115.382638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.382638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.382638 (E_RNA)
where:
Base-Base interactions energy: -748.641
where: short stacking energy: -293.253
Base-Backbone interact. energy: -2.059
local terms energy: -364.683011
where:
bonds (distance) C4'-P energy: -65.078
bonds (distance) P-C4' energy: -75.565
flat angles C4'-P-C4' energy: -73.277
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -100.002
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: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1056.352780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.352780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.352780 (E_RNA)
where:
Base-Base interactions energy: -721.325
where: short stacking energy: -308.394
Base-Backbone interact. energy: -1.105
local terms energy: -333.922989
where:
bonds (distance) C4'-P energy: -60.388
bonds (distance) P-C4' energy: -55.563
flat angles C4'-P-C4' energy: -70.836
flat angles P-C4'-P energy: -46.063
tors. eta vs tors. theta energy: -101.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1018.062330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.062330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.062330 (E_RNA)
where:
Base-Base interactions energy: -663.702
where: short stacking energy: -303.432
Base-Backbone interact. energy: -0.524
local terms energy: -353.836009
where:
bonds (distance) C4'-P energy: -65.269
bonds (distance) P-C4' energy: -71.438
flat angles C4'-P-C4' energy: -68.373
flat angles P-C4'-P energy: -51.436
tors. eta vs tors. theta energy: -97.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -900.777195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.777195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.777195 (E_RNA)
where:
Base-Base interactions energy: -586.974
where: short stacking energy: -254.790
Base-Backbone interact. energy: -1.626
local terms energy: -312.177371
where:
bonds (distance) C4'-P energy: -69.175
bonds (distance) P-C4' energy: -58.290
flat angles C4'-P-C4' energy: -61.505
flat angles P-C4'-P energy: -42.984
tors. eta vs tors. theta energy: -80.223
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: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -900.171400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.171400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.171400 (E_RNA)
where:
Base-Base interactions energy: -613.102
where: short stacking energy: -246.791
Base-Backbone interact. energy: -0.775
local terms energy: -286.294273
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -56.884
flat angles C4'-P-C4' energy: -57.395
flat angles P-C4'-P energy: -31.511
tors. eta vs tors. theta energy: -87.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -484.185033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.185033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.185033 (E_RNA)
where:
Base-Base interactions energy: -256.943
where: short stacking energy: -124.539
Base-Backbone interact. energy: 0.747
local terms energy: -227.989216
where:
bonds (distance) C4'-P energy: -58.334
bonds (distance) P-C4' energy: -62.549
flat angles C4'-P-C4' energy: -57.006
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -407.442940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.442940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.442940 (E_RNA)
where:
Base-Base interactions energy: -196.214
where: short stacking energy: -94.659
Base-Backbone interact. energy: -0.624
local terms energy: -210.605329
where:
bonds (distance) C4'-P energy: -58.999
bonds (distance) P-C4' energy: -58.863
flat angles C4'-P-C4' energy: -53.703
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -335.327524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.327524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.327524 (E_RNA)
where:
Base-Base interactions energy: -128.214
where: short stacking energy: -98.984
Base-Backbone interact. energy: -2.959
local terms energy: -204.154994
where:
bonds (distance) C4'-P energy: -60.783
bonds (distance) P-C4' energy: -59.706
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -36.810
tors. eta vs tors. theta energy: 0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -302.711710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.711710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.711710 (E_RNA)
where:
Base-Base interactions energy: -100.591
where: short stacking energy: -56.925
Base-Backbone interact. energy: -1.409
local terms energy: -200.711479
where:
bonds (distance) C4'-P energy: -69.897
bonds (distance) P-C4' energy: -62.253
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -37.324
tors. eta vs tors. theta energy: 6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -253.998271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.998271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.998271 (E_RNA)
where:
Base-Base interactions energy: -71.597
where: short stacking energy: -50.155
Base-Backbone interact. energy: -1.547
local terms energy: -180.854279
where:
bonds (distance) C4'-P energy: -57.184
bonds (distance) P-C4' energy: -55.376
flat angles C4'-P-C4' energy: -49.759
flat angles P-C4'-P energy: -32.857
tors. eta vs tors. theta energy: 14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1104.746664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.746664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.746664 (E_RNA)
where:
Base-Base interactions energy: -733.031
where: short stacking energy: -315.503
Base-Backbone interact. energy: 0.388
local terms energy: -372.102770
where:
bonds (distance) C4'-P energy: -66.080
bonds (distance) P-C4' energy: -73.184
flat angles C4'-P-C4' energy: -76.043
flat angles P-C4'-P energy: -49.376
tors. eta vs tors. theta energy: -107.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1076.333282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.333282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.333282 (E_RNA)
where:
Base-Base interactions energy: -749.384
where: short stacking energy: -291.416
Base-Backbone interact. energy: -0.681
local terms energy: -326.268714
where:
bonds (distance) C4'-P energy: -52.698
bonds (distance) P-C4' energy: -69.667
flat angles C4'-P-C4' energy: -68.813
flat angles P-C4'-P energy: -44.504
tors. eta vs tors. theta energy: -90.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -995.861287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.861287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.861287 (E_RNA)
where:
Base-Base interactions energy: -658.697
where: short stacking energy: -291.060
Base-Backbone interact. energy: -0.105
local terms energy: -337.059490
where:
bonds (distance) C4'-P energy: -69.286
bonds (distance) P-C4' energy: -67.509
flat angles C4'-P-C4' energy: -60.326
flat angles P-C4'-P energy: -44.866
tors. eta vs tors. theta energy: -95.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -903.170420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.170420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.170420 (E_RNA)
where:
Base-Base interactions energy: -565.045
where: short stacking energy: -249.539
Base-Backbone interact. energy: -1.734
local terms energy: -336.391610
where:
bonds (distance) C4'-P energy: -63.504
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -71.048
flat angles P-C4'-P energy: -49.697
tors. eta vs tors. theta energy: -86.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -927.734861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.734861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.734861 (E_RNA)
where:
Base-Base interactions energy: -653.569
where: short stacking energy: -271.478
Base-Backbone interact. energy: 1.155
local terms energy: -275.878191
where:
bonds (distance) C4'-P energy: -33.706
bonds (distance) P-C4' energy: -61.041
flat angles C4'-P-C4' energy: -61.420
flat angles P-C4'-P energy: -35.228
tors. eta vs tors. theta energy: -84.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.557 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -442.261991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.261991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.261991 (E_RNA)
where:
Base-Base interactions energy: -230.517
where: short stacking energy: -106.748
Base-Backbone interact. energy: -0.240
local terms energy: -211.504876
where:
bonds (distance) C4'-P energy: -47.139
bonds (distance) P-C4' energy: -60.486
flat angles C4'-P-C4' energy: -49.616
flat angles P-C4'-P energy: -42.952
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -336.282828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.282828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.282828 (E_RNA)
where:
Base-Base interactions energy: -117.861
where: short stacking energy: -98.035
Base-Backbone interact. energy: -0.114
local terms energy: -218.307687
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -62.404
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: 0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -354.292145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.292145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.292145 (E_RNA)
where:
Base-Base interactions energy: -152.974
where: short stacking energy: -99.028
Base-Backbone interact. energy: -1.045
local terms energy: -200.273253
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -59.036
flat angles C4'-P-C4' energy: -46.006
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -293.999789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.999789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.999789 (E_RNA)
where:
Base-Base interactions energy: -109.241
where: short stacking energy: -64.791
Base-Backbone interact. energy: 1.267
local terms energy: -186.025243
where:
bonds (distance) C4'-P energy: -64.134
bonds (distance) P-C4' energy: -64.695
flat angles C4'-P-C4' energy: -51.757
flat angles P-C4'-P energy: -26.308
tors. eta vs tors. theta energy: 20.870
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: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -261.498289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.498289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.498289 (E_RNA)
where:
Base-Base interactions energy: -77.371
where: short stacking energy: -56.897
Base-Backbone interact. energy: -1.812
local terms energy: -182.314750
where:
bonds (distance) C4'-P energy: -53.966
bonds (distance) P-C4' energy: -63.079
flat angles C4'-P-C4' energy: -45.497
flat angles P-C4'-P energy: -29.053
tors. eta vs tors. theta energy: 9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1104.009353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.009353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.009353 (E_RNA)
where:
Base-Base interactions energy: -729.140
where: short stacking energy: -319.486
Base-Backbone interact. energy: -0.698
local terms energy: -374.171415
where:
bonds (distance) C4'-P energy: -72.560
bonds (distance) P-C4' energy: -70.292
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -49.143
tors. eta vs tors. theta energy: -106.012
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: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1066.192120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.192120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.192120 (E_RNA)
where:
Base-Base interactions energy: -733.099
where: short stacking energy: -284.595
Base-Backbone interact. energy: -1.263
local terms energy: -331.829278
where:
bonds (distance) C4'-P energy: -65.135
bonds (distance) P-C4' energy: -70.242
flat angles C4'-P-C4' energy: -63.421
flat angles P-C4'-P energy: -38.816
tors. eta vs tors. theta energy: -94.215
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: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -979.617265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.617265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.617265 (E_RNA)
where:
Base-Base interactions energy: -642.134
where: short stacking energy: -288.235
Base-Backbone interact. energy: -0.432
local terms energy: -337.051236
where:
bonds (distance) C4'-P energy: -69.836
bonds (distance) P-C4' energy: -54.501
flat angles C4'-P-C4' energy: -78.203
flat angles P-C4'-P energy: -39.974
tors. eta vs tors. theta energy: -94.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -929.294046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.294046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.294046 (E_RNA)
where:
Base-Base interactions energy: -620.290
where: short stacking energy: -236.703
Base-Backbone interact. energy: -0.040
local terms energy: -308.964472
where:
bonds (distance) C4'-P energy: -62.434
bonds (distance) P-C4' energy: -66.020
flat angles C4'-P-C4' energy: -63.008
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: -75.114
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: 431
Temperature: 1.100000
Total energy: -895.235665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.235665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.235665 (E_RNA)
where:
Base-Base interactions energy: -558.780
where: short stacking energy: -252.016
Base-Backbone interact. energy: -1.037
local terms energy: -335.418373
where:
bonds (distance) C4'-P energy: -63.376
bonds (distance) P-C4' energy: -68.405
flat angles C4'-P-C4' energy: -63.513
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -87.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -503.699719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.699719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.699719 (E_RNA)
where:
Base-Base interactions energy: -265.703
where: short stacking energy: -122.611
Base-Backbone interact. energy: -0.260
local terms energy: -237.916251
where:
bonds (distance) C4'-P energy: -66.548
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -59.056
flat angles P-C4'-P energy: -37.392
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.180 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -345.423430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.423430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.423430 (E_RNA)
where:
Base-Base interactions energy: -139.035
where: short stacking energy: -94.067
Base-Backbone interact. energy: -2.515
local terms energy: -203.873491
where:
bonds (distance) C4'-P energy: -54.794
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -64.461
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -6.582
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: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -355.362678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.362678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.362678 (E_RNA)
where:
Base-Base interactions energy: -171.808
where: short stacking energy: -84.432
Base-Backbone interact. energy: 3.636
local terms energy: -187.190913
where:
bonds (distance) C4'-P energy: -49.254
bonds (distance) P-C4' energy: -58.459
flat angles C4'-P-C4' energy: -47.490
flat angles P-C4'-P energy: -32.940
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -273.450639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.450639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.450639 (E_RNA)
where:
Base-Base interactions energy: -84.401
where: short stacking energy: -70.870
Base-Backbone interact. energy: -1.869
local terms energy: -187.180256
where:
bonds (distance) C4'-P energy: -63.436
bonds (distance) P-C4' energy: -47.805
flat angles C4'-P-C4' energy: -52.891
flat angles P-C4'-P energy: -30.485
tors. eta vs tors. theta energy: 7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -262.140794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.140794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.140794 (E_RNA)
where:
Base-Base interactions energy: -82.933
where: short stacking energy: -57.006
Base-Backbone interact. energy: -0.134
local terms energy: -179.073761
where:
bonds (distance) C4'-P energy: -61.993
bonds (distance) P-C4' energy: -52.107
flat angles C4'-P-C4' energy: -49.524
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: 17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1080.541937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.541937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.541937 (E_RNA)
where:
Base-Base interactions energy: -717.228
where: short stacking energy: -303.868
Base-Backbone interact. energy: -0.397
local terms energy: -362.916750
where:
bonds (distance) C4'-P energy: -65.544
bonds (distance) P-C4' energy: -69.574
flat angles C4'-P-C4' energy: -79.605
flat angles P-C4'-P energy: -47.174
tors. eta vs tors. theta energy: -101.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1084.233109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.233109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.233109 (E_RNA)
where:
Base-Base interactions energy: -742.953
where: short stacking energy: -286.185
Base-Backbone interact. energy: -1.938
local terms energy: -339.342723
where:
bonds (distance) C4'-P energy: -65.702
bonds (distance) P-C4' energy: -76.054
flat angles C4'-P-C4' energy: -66.555
flat angles P-C4'-P energy: -38.613
tors. eta vs tors. theta energy: -92.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -992.711733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.711733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.711733 (E_RNA)
where:
Base-Base interactions energy: -653.645
where: short stacking energy: -301.730
Base-Backbone interact. energy: -0.446
local terms energy: -338.621354
where:
bonds (distance) C4'-P energy: -64.819
bonds (distance) P-C4' energy: -61.157
flat angles C4'-P-C4' energy: -68.951
flat angles P-C4'-P energy: -48.559
tors. eta vs tors. theta energy: -95.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -939.269385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.269385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.269385 (E_RNA)
where:
Base-Base interactions energy: -618.813
where: short stacking energy: -259.480
Base-Backbone interact. energy: -0.134
local terms energy: -320.322462
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -64.376
flat angles C4'-P-C4' energy: -66.432
flat angles P-C4'-P energy: -40.337
tors. eta vs tors. theta energy: -86.571
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: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -907.228352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.228352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.228352 (E_RNA)
where:
Base-Base interactions energy: -594.584
where: short stacking energy: -269.197
Base-Backbone interact. energy: 1.256
local terms energy: -313.899914
where:
bonds (distance) C4'-P energy: -60.629
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -44.073
tors. eta vs tors. theta energy: -90.769
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: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -500.830464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.830464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.830464 (E_RNA)
where:
Base-Base interactions energy: -273.467
where: short stacking energy: -141.871
Base-Backbone interact. energy: 3.610
local terms energy: -230.973242
where:
bonds (distance) C4'-P energy: -54.357
bonds (distance) P-C4' energy: -72.949
flat angles C4'-P-C4' energy: -58.506
flat angles P-C4'-P energy: -27.339
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -332.555585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.555585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.555585 (E_RNA)
where:
Base-Base interactions energy: -111.884
where: short stacking energy: -100.924
Base-Backbone interact. energy: -1.168
local terms energy: -219.503612
where:
bonds (distance) C4'-P energy: -45.866
bonds (distance) P-C4' energy: -62.196
flat angles C4'-P-C4' energy: -67.114
flat angles P-C4'-P energy: -37.967
tors. eta vs tors. theta energy: -6.361
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: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -339.680892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.680892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.680892 (E_RNA)
where:
Base-Base interactions energy: -157.512
where: short stacking energy: -84.658
Base-Backbone interact. energy: 3.018
local terms energy: -185.187536
where:
bonds (distance) C4'-P energy: -49.537
bonds (distance) P-C4' energy: -65.027
flat angles C4'-P-C4' energy: -38.658
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -1.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -281.067647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.067647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.067647 (E_RNA)
where:
Base-Base interactions energy: -99.754
where: short stacking energy: -73.337
Base-Backbone interact. energy: 1.766
local terms energy: -183.079826
where:
bonds (distance) C4'-P energy: -60.474
bonds (distance) P-C4' energy: -55.586
flat angles C4'-P-C4' energy: -53.414
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: 9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -256.203132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.203132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.203132 (E_RNA)
where:
Base-Base interactions energy: -82.795
where: short stacking energy: -51.113
Base-Backbone interact. energy: -0.768
local terms energy: -172.640395
where:
bonds (distance) C4'-P energy: -54.456
bonds (distance) P-C4' energy: -67.259
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -36.050
tors. eta vs tors. theta energy: 9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1092.427156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.427156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.427156 (E_RNA)
where:
Base-Base interactions energy: -737.510
where: short stacking energy: -309.807
Base-Backbone interact. energy: -0.327
local terms energy: -354.590584
where:
bonds (distance) C4'-P energy: -65.641
bonds (distance) P-C4' energy: -62.856
flat angles C4'-P-C4' energy: -76.909
flat angles P-C4'-P energy: -45.226
tors. eta vs tors. theta energy: -103.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1060.448426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.448426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.448426 (E_RNA)
where:
Base-Base interactions energy: -718.773
where: short stacking energy: -278.755
Base-Backbone interact. energy: -2.316
local terms energy: -339.359647
where:
bonds (distance) C4'-P energy: -67.388
bonds (distance) P-C4' energy: -61.752
flat angles C4'-P-C4' energy: -71.196
flat angles P-C4'-P energy: -49.297
tors. eta vs tors. theta energy: -89.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1009.443903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.443903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.443903 (E_RNA)
where:
Base-Base interactions energy: -651.912
where: short stacking energy: -300.278
Base-Backbone interact. energy: 1.052
local terms energy: -358.584639
where:
bonds (distance) C4'-P energy: -63.307
bonds (distance) P-C4' energy: -74.867
flat angles C4'-P-C4' energy: -73.903
flat angles P-C4'-P energy: -43.807
tors. eta vs tors. theta energy: -102.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -949.972281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.972281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.972281 (E_RNA)
where:
Base-Base interactions energy: -621.318
where: short stacking energy: -237.578
Base-Backbone interact. energy: 2.139
local terms energy: -330.793457
where:
bonds (distance) C4'-P energy: -69.166
bonds (distance) P-C4' energy: -60.498
flat angles C4'-P-C4' energy: -68.301
flat angles P-C4'-P energy: -48.194
tors. eta vs tors. theta energy: -84.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -884.553343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.553343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.553343 (E_RNA)
where:
Base-Base interactions energy: -587.203
where: short stacking energy: -257.660
Base-Backbone interact. energy: -2.877
local terms energy: -294.473201
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -53.008
flat angles C4'-P-C4' energy: -63.837
flat angles P-C4'-P energy: -37.851
tors. eta vs tors. theta energy: -79.229
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: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -474.793718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.793718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.793718 (E_RNA)
where:
Base-Base interactions energy: -271.693
where: short stacking energy: -134.490
Base-Backbone interact. energy: -0.894
local terms energy: -202.207536
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -50.690
flat angles C4'-P-C4' energy: -54.345
flat angles P-C4'-P energy: -33.242
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -327.853216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.853216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.853216 (E_RNA)
where:
Base-Base interactions energy: -112.696
where: short stacking energy: -75.249
Base-Backbone interact. energy: 0.213
local terms energy: -215.370334
where:
bonds (distance) C4'-P energy: -64.628
bonds (distance) P-C4' energy: -64.316
flat angles C4'-P-C4' energy: -43.077
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -335.785757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.785757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.785757 (E_RNA)
where:
Base-Base interactions energy: -144.850
where: short stacking energy: -79.850
Base-Backbone interact. energy: -0.166
local terms energy: -190.769785
where:
bonds (distance) C4'-P energy: -54.229
bonds (distance) P-C4' energy: -67.794
flat angles C4'-P-C4' energy: -41.993
flat angles P-C4'-P energy: -36.855
tors. eta vs tors. theta energy: 10.101
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: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -298.605380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.605380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.605380 (E_RNA)
where:
Base-Base interactions energy: -131.199
where: short stacking energy: -52.337
Base-Backbone interact. energy: -0.343
local terms energy: -167.063697
where:
bonds (distance) C4'-P energy: -56.222
bonds (distance) P-C4' energy: -53.160
flat angles C4'-P-C4' energy: -43.372
flat angles P-C4'-P energy: -27.317
tors. eta vs tors. theta energy: 13.007
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: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -262.777095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.777095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.777095 (E_RNA)
where:
Base-Base interactions energy: -94.402
where: short stacking energy: -64.019
Base-Backbone interact. energy: 0.919
local terms energy: -169.293334
where:
bonds (distance) C4'-P energy: -41.647
bonds (distance) P-C4' energy: -68.870
flat angles C4'-P-C4' energy: -48.053
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: 9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1102.870657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.870657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.870657 (E_RNA)
where:
Base-Base interactions energy: -760.380
where: short stacking energy: -291.794
Base-Backbone interact. energy: 0.367
local terms energy: -342.858326
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -69.605
flat angles C4'-P-C4' energy: -69.506
flat angles P-C4'-P energy: -39.205
tors. eta vs tors. theta energy: -94.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1052.060888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.060888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.060888 (E_RNA)
where:
Base-Base interactions energy: -714.506
where: short stacking energy: -314.300
Base-Backbone interact. energy: -1.248
local terms energy: -336.306555
where:
bonds (distance) C4'-P energy: -58.977
bonds (distance) P-C4' energy: -50.184
flat angles C4'-P-C4' energy: -79.641
flat angles P-C4'-P energy: -47.817
tors. eta vs tors. theta energy: -99.688
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: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -977.858105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.858105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.858105 (E_RNA)
where:
Base-Base interactions energy: -653.757
where: short stacking energy: -282.983
Base-Backbone interact. energy: -1.578
local terms energy: -322.522769
where:
bonds (distance) C4'-P energy: -66.327
bonds (distance) P-C4' energy: -65.140
flat angles C4'-P-C4' energy: -68.302
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -83.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -961.599597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.599597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.599597 (E_RNA)
where:
Base-Base interactions energy: -614.890
where: short stacking energy: -270.950
Base-Backbone interact. energy: -0.051
local terms energy: -346.658180
where:
bonds (distance) C4'-P energy: -57.836
bonds (distance) P-C4' energy: -71.862
flat angles C4'-P-C4' energy: -71.461
flat angles P-C4'-P energy: -51.052
tors. eta vs tors. theta energy: -94.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -869.753407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.753407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.753407 (E_RNA)
where:
Base-Base interactions energy: -573.994
where: short stacking energy: -256.301
Base-Backbone interact. energy: -0.671
local terms energy: -295.088176
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -58.933
flat angles C4'-P-C4' energy: -66.605
flat angles P-C4'-P energy: -40.038
tors. eta vs tors. theta energy: -70.656
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: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -450.493766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.493766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.493766 (E_RNA)
where:
Base-Base interactions energy: -221.699
where: short stacking energy: -117.992
Base-Backbone interact. energy: 3.087
local terms energy: -231.881342
where:
bonds (distance) C4'-P energy: -54.291
bonds (distance) P-C4' energy: -64.042
flat angles C4'-P-C4' energy: -57.846
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -24.227
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: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -342.241900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.241900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.241900 (E_RNA)
where:
Base-Base interactions energy: -145.565
where: short stacking energy: -104.878
Base-Backbone interact. energy: 1.178
local terms energy: -197.855417
where:
bonds (distance) C4'-P energy: -50.947
bonds (distance) P-C4' energy: -55.241
flat angles C4'-P-C4' energy: -56.671
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -304.642717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.642717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.642717 (E_RNA)
where:
Base-Base interactions energy: -136.506
where: short stacking energy: -82.186
Base-Backbone interact. energy: -1.006
local terms energy: -167.130127
where:
bonds (distance) C4'-P energy: -49.236
bonds (distance) P-C4' energy: -66.053
flat angles C4'-P-C4' energy: -49.397
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: 14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -281.940686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.940686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.940686 (E_RNA)
where:
Base-Base interactions energy: -105.075
where: short stacking energy: -72.801
Base-Backbone interact. energy: 3.596
local terms energy: -180.461911
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -52.137
flat angles C4'-P-C4' energy: -54.329
flat angles P-C4'-P energy: -32.787
tors. eta vs tors. theta energy: 13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -273.984652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.984652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.984652 (E_RNA)
where:
Base-Base interactions energy: -100.294
where: short stacking energy: -54.301
Base-Backbone interact. energy: -1.387
local terms energy: -172.303226
where:
bonds (distance) C4'-P energy: -50.656
bonds (distance) P-C4' energy: -63.387
flat angles C4'-P-C4' energy: -50.596
flat angles P-C4'-P energy: -28.764
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: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1083.343363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.343363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.343363 (E_RNA)
where:
Base-Base interactions energy: -724.075
where: short stacking energy: -309.239
Base-Backbone interact. energy: 1.223
local terms energy: -360.491314
where:
bonds (distance) C4'-P energy: -72.221
bonds (distance) P-C4' energy: -63.623
flat angles C4'-P-C4' energy: -77.850
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -103.980
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: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1048.705868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.705868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.705868 (E_RNA)
where:
Base-Base interactions energy: -692.434
where: short stacking energy: -304.417
Base-Backbone interact. energy: -1.289
local terms energy: -354.982407
where:
bonds (distance) C4'-P energy: -67.754
bonds (distance) P-C4' energy: -60.311
flat angles C4'-P-C4' energy: -73.720
flat angles P-C4'-P energy: -48.167
tors. eta vs tors. theta energy: -105.030
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: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -997.382980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.382980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.382980 (E_RNA)
where:
Base-Base interactions energy: -668.338
where: short stacking energy: -263.811
Base-Backbone interact. energy: -1.487
local terms energy: -327.557829
where:
bonds (distance) C4'-P energy: -71.499
bonds (distance) P-C4' energy: -58.764
flat angles C4'-P-C4' energy: -70.812
flat angles P-C4'-P energy: -44.429
tors. eta vs tors. theta energy: -82.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -980.791069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.791069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.791069 (E_RNA)
where:
Base-Base interactions energy: -641.549
where: short stacking energy: -285.941
Base-Backbone interact. energy: 2.927
local terms energy: -342.169595
where:
bonds (distance) C4'-P energy: -59.654
bonds (distance) P-C4' energy: -63.255
flat angles C4'-P-C4' energy: -74.034
flat angles P-C4'-P energy: -52.251
tors. eta vs tors. theta energy: -92.977
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: 435
Temperature: 1.100000
Total energy: -888.398908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.398908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.398908 (E_RNA)
where:
Base-Base interactions energy: -588.738
where: short stacking energy: -262.556
Base-Backbone interact. energy: -1.741
local terms energy: -297.919756
where:
bonds (distance) C4'-P energy: -57.696
bonds (distance) P-C4' energy: -50.232
flat angles C4'-P-C4' energy: -67.199
flat angles P-C4'-P energy: -49.051
tors. eta vs tors. theta energy: -73.741
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: 435
Temperature: 1.150000
Total energy: -508.865794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.865794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.865794 (E_RNA)
where:
Base-Base interactions energy: -277.360
where: short stacking energy: -126.770
Base-Backbone interact. energy: -0.295
local terms energy: -231.211203
where:
bonds (distance) C4'-P energy: -66.713
bonds (distance) P-C4' energy: -62.436
flat angles C4'-P-C4' energy: -52.593
flat angles P-C4'-P energy: -42.541
tors. eta vs tors. theta energy: -6.927
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: 435
Temperature: 1.200000
Total energy: -319.920295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.920295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.920295 (E_RNA)
where:
Base-Base interactions energy: -88.213
where: short stacking energy: -64.592
Base-Backbone interact. energy: 4.629
local terms energy: -236.336248
where:
bonds (distance) C4'-P energy: -75.356
bonds (distance) P-C4' energy: -69.711
flat angles C4'-P-C4' energy: -60.187
flat angles P-C4'-P energy: -34.474
tors. eta vs tors. theta energy: 3.391
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: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -306.808923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.808923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.808923 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -83.204
Base-Backbone interact. energy: 1.251
local terms energy: -171.054450
where:
bonds (distance) C4'-P energy: -47.707
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -46.154
flat angles P-C4'-P energy: -32.381
tors. eta vs tors. theta energy: 14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -281.502944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.502944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.502944 (E_RNA)
where:
Base-Base interactions energy: -79.017
where: short stacking energy: -61.366
Base-Backbone interact. energy: -1.937
local terms energy: -200.548382
where:
bonds (distance) C4'-P energy: -54.822
bonds (distance) P-C4' energy: -45.796
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -43.227
tors. eta vs tors. theta energy: 3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -289.478178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.478178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.478178 (E_RNA)
where:
Base-Base interactions energy: -107.413
where: short stacking energy: -80.182
Base-Backbone interact. energy: -1.194
local terms energy: -180.871543
where:
bonds (distance) C4'-P energy: -50.097
bonds (distance) P-C4' energy: -57.980
flat angles C4'-P-C4' energy: -41.671
flat angles P-C4'-P energy: -32.839
tors. eta vs tors. theta energy: 1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1101.021274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.021274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.021274 (E_RNA)
where:
Base-Base interactions energy: -751.867
where: short stacking energy: -299.923
Base-Backbone interact. energy: -2.398
local terms energy: -346.755810
where:
bonds (distance) C4'-P energy: -69.264
bonds (distance) P-C4' energy: -63.534
flat angles C4'-P-C4' energy: -69.898
flat angles P-C4'-P energy: -45.752
tors. eta vs tors. theta energy: -98.308
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: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1048.970996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.970996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.970996 (E_RNA)
where:
Base-Base interactions energy: -695.521
where: short stacking energy: -303.640
Base-Backbone interact. energy: -0.541
local terms energy: -352.908521
where:
bonds (distance) C4'-P energy: -59.566
bonds (distance) P-C4' energy: -61.227
flat angles C4'-P-C4' energy: -73.837
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -101.285
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: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -993.433633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.433633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.433633 (E_RNA)
where:
Base-Base interactions energy: -669.574
where: short stacking energy: -294.976
Base-Backbone interact. energy: 1.362
local terms energy: -325.221799
where:
bonds (distance) C4'-P energy: -58.727
bonds (distance) P-C4' energy: -64.539
flat angles C4'-P-C4' energy: -70.329
flat angles P-C4'-P energy: -46.116
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: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -928.650576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.650576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.650576 (E_RNA)
where:
Base-Base interactions energy: -604.567
where: short stacking energy: -272.822
Base-Backbone interact. energy: 0.494
local terms energy: -324.577356
where:
bonds (distance) C4'-P energy: -70.981
bonds (distance) P-C4' energy: -63.368
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -45.243
tors. eta vs tors. theta energy: -85.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -850.364412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.364412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.364412 (E_RNA)
where:
Base-Base interactions energy: -542.136
where: short stacking energy: -252.656
Base-Backbone interact. energy: 0.171
local terms energy: -308.398797
where:
bonds (distance) C4'-P energy: -52.346
bonds (distance) P-C4' energy: -68.120
flat angles C4'-P-C4' energy: -64.616
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -76.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -506.411933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.411933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.411933 (E_RNA)
where:
Base-Base interactions energy: -272.410
where: short stacking energy: -142.583
Base-Backbone interact. energy: -0.995
local terms energy: -233.007185
where:
bonds (distance) C4'-P energy: -53.447
bonds (distance) P-C4' energy: -61.588
flat angles C4'-P-C4' energy: -57.190
flat angles P-C4'-P energy: -37.110
tors. eta vs tors. theta energy: -23.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -337.265891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.265891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.265891 (E_RNA)
where:
Base-Base interactions energy: -138.275
where: short stacking energy: -89.607
Base-Backbone interact. energy: 2.018
local terms energy: -201.008413
where:
bonds (distance) C4'-P energy: -51.579
bonds (distance) P-C4' energy: -52.179
flat angles C4'-P-C4' energy: -42.012
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -300.549965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.549965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.549965 (E_RNA)
where:
Base-Base interactions energy: -107.434
where: short stacking energy: -84.033
Base-Backbone interact. energy: 0.650
local terms energy: -193.766643
where:
bonds (distance) C4'-P energy: -59.231
bonds (distance) P-C4' energy: -59.846
flat angles C4'-P-C4' energy: -56.539
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: 3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -284.366567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.366567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.366567 (E_RNA)
where:
Base-Base interactions energy: -100.071
where: short stacking energy: -76.135
Base-Backbone interact. energy: -0.532
local terms energy: -183.763775
where:
bonds (distance) C4'-P energy: -50.085
bonds (distance) P-C4' energy: -70.157
flat angles C4'-P-C4' energy: -63.147
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: 16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -254.750972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.750972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.750972 (E_RNA)
where:
Base-Base interactions energy: -113.477
where: short stacking energy: -70.473
Base-Backbone interact. energy: -1.688
local terms energy: -139.585244
where:
bonds (distance) C4'-P energy: -54.194
bonds (distance) P-C4' energy: -52.323
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: 12.657
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: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1099.702718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.702718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.702718 (E_RNA)
where:
Base-Base interactions energy: -744.130
where: short stacking energy: -298.591
Base-Backbone interact. energy: -2.863
local terms energy: -352.709823
where:
bonds (distance) C4'-P energy: -69.413
bonds (distance) P-C4' energy: -66.309
flat angles C4'-P-C4' energy: -73.722
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -99.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1045.285967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.285967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.285967 (E_RNA)
where:
Base-Base interactions energy: -694.216
where: short stacking energy: -308.446
Base-Backbone interact. energy: -0.670
local terms energy: -350.399871
where:
bonds (distance) C4'-P energy: -69.506
bonds (distance) P-C4' energy: -67.778
flat angles C4'-P-C4' energy: -70.866
flat angles P-C4'-P energy: -45.655
tors. eta vs tors. theta energy: -96.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1008.842842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.842842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.842842 (E_RNA)
where:
Base-Base interactions energy: -666.671
where: short stacking energy: -283.532
Base-Backbone interact. energy: 0.277
local terms energy: -342.448849
where:
bonds (distance) C4'-P energy: -66.766
bonds (distance) P-C4' energy: -63.724
flat angles C4'-P-C4' energy: -72.707
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -95.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -993.064243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.064243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.064243 (E_RNA)
where:
Base-Base interactions energy: -644.745
where: short stacking energy: -290.218
Base-Backbone interact. energy: -1.569
local terms energy: -346.750449
where:
bonds (distance) C4'-P energy: -57.787
bonds (distance) P-C4' energy: -73.337
flat angles C4'-P-C4' energy: -70.811
flat angles P-C4'-P energy: -48.199
tors. eta vs tors. theta energy: -96.615
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: 437
Temperature: 1.100000
Total energy: -904.023509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.023509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.023509 (E_RNA)
where:
Base-Base interactions energy: -605.937
where: short stacking energy: -264.194
Base-Backbone interact. energy: -1.387
local terms energy: -296.700047
where:
bonds (distance) C4'-P energy: -43.736
bonds (distance) P-C4' energy: -59.188
flat angles C4'-P-C4' energy: -80.468
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -73.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -472.770220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.770220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.770220 (E_RNA)
where:
Base-Base interactions energy: -233.448
where: short stacking energy: -131.165
Base-Backbone interact. energy: -0.699
local terms energy: -238.622984
where:
bonds (distance) C4'-P energy: -50.788
bonds (distance) P-C4' energy: -58.512
flat angles C4'-P-C4' energy: -58.688
flat angles P-C4'-P energy: -44.268
tors. eta vs tors. theta energy: -26.366
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: 437
Temperature: 1.200000
Total energy: -346.534596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.534596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.534596 (E_RNA)
where:
Base-Base interactions energy: -145.879
where: short stacking energy: -112.516
Base-Backbone interact. energy: 0.917
local terms energy: -201.572113
where:
bonds (distance) C4'-P energy: -47.795
bonds (distance) P-C4' energy: -64.044
flat angles C4'-P-C4' energy: -51.159
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -309.371436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.371436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.371436 (E_RNA)
where:
Base-Base interactions energy: -116.237
where: short stacking energy: -64.690
Base-Backbone interact. energy: 5.329
local terms energy: -198.463981
where:
bonds (distance) C4'-P energy: -67.431
bonds (distance) P-C4' energy: -64.842
flat angles C4'-P-C4' energy: -47.110
flat angles P-C4'-P energy: -27.426
tors. eta vs tors. theta energy: 8.345
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: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -296.599701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.599701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.599701 (E_RNA)
where:
Base-Base interactions energy: -93.409
where: short stacking energy: -75.282
Base-Backbone interact. energy: -0.204
local terms energy: -202.987165
where:
bonds (distance) C4'-P energy: -64.465
bonds (distance) P-C4' energy: -70.076
flat angles C4'-P-C4' energy: -37.764
flat angles P-C4'-P energy: -35.058
tors. eta vs tors. theta energy: 4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -262.047524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.047524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.047524 (E_RNA)
where:
Base-Base interactions energy: -75.356
where: short stacking energy: -63.244
Base-Backbone interact. energy: -1.830
local terms energy: -184.861288
where:
bonds (distance) C4'-P energy: -54.887
bonds (distance) P-C4' energy: -52.539
flat angles C4'-P-C4' energy: -49.151
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -6.074
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: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1106.900763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.900763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.900763 (E_RNA)
where:
Base-Base interactions energy: -746.248
where: short stacking energy: -295.463
Base-Backbone interact. energy: -0.373
local terms energy: -360.279840
where:
bonds (distance) C4'-P energy: -69.178
bonds (distance) P-C4' energy: -75.286
flat angles C4'-P-C4' energy: -73.763
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: -96.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1022.921583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.921583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.921583 (E_RNA)
where:
Base-Base interactions energy: -686.160
where: short stacking energy: -293.627
Base-Backbone interact. energy: -0.811
local terms energy: -335.949716
where:
bonds (distance) C4'-P energy: -67.567
bonds (distance) P-C4' energy: -65.178
flat angles C4'-P-C4' energy: -64.796
flat angles P-C4'-P energy: -48.489
tors. eta vs tors. theta energy: -89.920
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: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -994.457887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.457887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.457887 (E_RNA)
where:
Base-Base interactions energy: -664.241
where: short stacking energy: -289.904
Base-Backbone interact. energy: -0.475
local terms energy: -329.741640
where:
bonds (distance) C4'-P energy: -58.691
bonds (distance) P-C4' energy: -66.381
flat angles C4'-P-C4' energy: -67.907
flat angles P-C4'-P energy: -41.458
tors. eta vs tors. theta energy: -95.306
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: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -967.091650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.091650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.091650 (E_RNA)
where:
Base-Base interactions energy: -641.867
where: short stacking energy: -273.031
Base-Backbone interact. energy: 1.573
local terms energy: -326.797162
where:
bonds (distance) C4'-P energy: -57.373
bonds (distance) P-C4' energy: -67.434
flat angles C4'-P-C4' energy: -76.099
flat angles P-C4'-P energy: -43.336
tors. eta vs tors. theta energy: -82.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -895.197218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.197218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.197218 (E_RNA)
where:
Base-Base interactions energy: -577.979
where: short stacking energy: -260.359
Base-Backbone interact. energy: -0.849
local terms energy: -316.369213
where:
bonds (distance) C4'-P energy: -52.721
bonds (distance) P-C4' energy: -67.872
flat angles C4'-P-C4' energy: -61.636
flat angles P-C4'-P energy: -52.775
tors. eta vs tors. theta energy: -81.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -464.819177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.819177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.819177 (E_RNA)
where:
Base-Base interactions energy: -220.411
where: short stacking energy: -121.798
Base-Backbone interact. energy: -0.287
local terms energy: -244.121325
where:
bonds (distance) C4'-P energy: -60.125
bonds (distance) P-C4' energy: -76.245
flat angles C4'-P-C4' energy: -56.655
flat angles P-C4'-P energy: -28.039
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: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -313.684229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.684229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.684229 (E_RNA)
where:
Base-Base interactions energy: -110.128
where: short stacking energy: -104.542
Base-Backbone interact. energy: 0.825
local terms energy: -204.380883
where:
bonds (distance) C4'-P energy: -59.079
bonds (distance) P-C4' energy: -58.224
flat angles C4'-P-C4' energy: -48.586
flat angles P-C4'-P energy: -34.154
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -313.539931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.539931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.539931 (E_RNA)
where:
Base-Base interactions energy: -114.257
where: short stacking energy: -79.329
Base-Backbone interact. energy: -0.663
local terms energy: -198.619946
where:
bonds (distance) C4'-P energy: -47.172
bonds (distance) P-C4' energy: -63.820
flat angles C4'-P-C4' energy: -49.727
flat angles P-C4'-P energy: -35.310
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -265.149738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.149738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.149738 (E_RNA)
where:
Base-Base interactions energy: -108.499
where: short stacking energy: -71.717
Base-Backbone interact. energy: 0.291
local terms energy: -156.941780
where:
bonds (distance) C4'-P energy: -57.418
bonds (distance) P-C4' energy: -63.320
flat angles C4'-P-C4' energy: -41.514
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: 19.524
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: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -264.017206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.017206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.017206 (E_RNA)
where:
Base-Base interactions energy: -87.911
where: short stacking energy: -79.475
Base-Backbone interact. energy: 2.799
local terms energy: -178.905211
where:
bonds (distance) C4'-P energy: -51.116
bonds (distance) P-C4' energy: -65.602
flat angles C4'-P-C4' energy: -41.258
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: 8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1131.154858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.154858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.154858 (E_RNA)
where:
Base-Base interactions energy: -785.445
where: short stacking energy: -304.352
Base-Backbone interact. energy: -3.133
local terms energy: -342.576984
where:
bonds (distance) C4'-P energy: -63.595
bonds (distance) P-C4' energy: -70.552
flat angles C4'-P-C4' energy: -70.900
flat angles P-C4'-P energy: -35.051
tors. eta vs tors. theta energy: -102.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1023.363961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.363961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.363961 (E_RNA)
where:
Base-Base interactions energy: -672.107
where: short stacking energy: -279.857
Base-Backbone interact. energy: -0.550
local terms energy: -350.707554
where:
bonds (distance) C4'-P energy: -65.044
bonds (distance) P-C4' energy: -67.724
flat angles C4'-P-C4' energy: -76.501
flat angles P-C4'-P energy: -45.196
tors. eta vs tors. theta energy: -96.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1012.226072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.226072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.226072 (E_RNA)
where:
Base-Base interactions energy: -683.231
where: short stacking energy: -282.672
Base-Backbone interact. energy: 2.867
local terms energy: -331.962365
where:
bonds (distance) C4'-P energy: -59.276
bonds (distance) P-C4' energy: -62.075
flat angles C4'-P-C4' energy: -64.865
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: -99.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.100 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -948.495990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.495990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.495990 (E_RNA)
where:
Base-Base interactions energy: -628.420
where: short stacking energy: -266.399
Base-Backbone interact. energy: -0.985
local terms energy: -319.090686
where:
bonds (distance) C4'-P energy: -60.586
bonds (distance) P-C4' energy: -68.149
flat angles C4'-P-C4' energy: -62.483
flat angles P-C4'-P energy: -43.967
tors. eta vs tors. theta energy: -83.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -887.706177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.706177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.706177 (E_RNA)
where:
Base-Base interactions energy: -573.341
where: short stacking energy: -246.793
Base-Backbone interact. energy: -0.211
local terms energy: -314.153676
where:
bonds (distance) C4'-P energy: -62.828
bonds (distance) P-C4' energy: -65.846
flat angles C4'-P-C4' energy: -70.721
flat angles P-C4'-P energy: -38.820
tors. eta vs tors. theta energy: -75.938
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: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -509.796302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.796302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.796302 (E_RNA)
where:
Base-Base interactions energy: -285.641
where: short stacking energy: -138.564
Base-Backbone interact. energy: -2.033
local terms energy: -222.122329
where:
bonds (distance) C4'-P energy: -50.871
bonds (distance) P-C4' energy: -67.359
flat angles C4'-P-C4' energy: -52.964
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -28.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -372.692885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.692885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.692885 (E_RNA)
where:
Base-Base interactions energy: -146.932
where: short stacking energy: -106.183
Base-Backbone interact. energy: 0.536
local terms energy: -226.296713
where:
bonds (distance) C4'-P energy: -60.168
bonds (distance) P-C4' energy: -60.910
flat angles C4'-P-C4' energy: -59.953
flat angles P-C4'-P energy: -31.266
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -309.084614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.084614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.084614 (E_RNA)
where:
Base-Base interactions energy: -118.776
where: short stacking energy: -76.337
Base-Backbone interact. energy: -0.262
local terms energy: -190.046384
where:
bonds (distance) C4'-P energy: -55.238
bonds (distance) P-C4' energy: -70.307
flat angles C4'-P-C4' energy: -63.047
flat angles P-C4'-P energy: -18.569
tors. eta vs tors. theta energy: 17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -294.639309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.639309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.639309 (E_RNA)
where:
Base-Base interactions energy: -104.023
where: short stacking energy: -79.325
Base-Backbone interact. energy: -0.399
local terms energy: -190.217380
where:
bonds (distance) C4'-P energy: -68.815
bonds (distance) P-C4' energy: -52.185
flat angles C4'-P-C4' energy: -53.946
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: 10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -249.642180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.642180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.642180 (E_RNA)
where:
Base-Base interactions energy: -93.554
where: short stacking energy: -68.109
Base-Backbone interact. energy: 3.065
local terms energy: -159.153184
where:
bonds (distance) C4'-P energy: -65.103
bonds (distance) P-C4' energy: -45.766
flat angles C4'-P-C4' energy: -50.261
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: 18.047
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: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1097.248814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.248814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.248814 (E_RNA)
where:
Base-Base interactions energy: -740.893
where: short stacking energy: -285.599
Base-Backbone interact. energy: -3.699
local terms energy: -352.657711
where:
bonds (distance) C4'-P energy: -62.565
bonds (distance) P-C4' energy: -73.099
flat angles C4'-P-C4' energy: -73.523
flat angles P-C4'-P energy: -41.020
tors. eta vs tors. theta energy: -102.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1033.555586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.555586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.555586 (E_RNA)
where:
Base-Base interactions energy: -685.063
where: short stacking energy: -292.595
Base-Backbone interact. energy: -0.119
local terms energy: -348.373524
where:
bonds (distance) C4'-P energy: -68.107
bonds (distance) P-C4' energy: -63.968
flat angles C4'-P-C4' energy: -68.806
flat angles P-C4'-P energy: -42.625
tors. eta vs tors. theta energy: -104.866
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: 440
Temperature: 1.000000
Total energy: -1038.394733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.394733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.394733 (E_RNA)
where:
Base-Base interactions energy: -708.045
where: short stacking energy: -300.557
Base-Backbone interact. energy: -1.078
local terms energy: -329.271771
where:
bonds (distance) C4'-P energy: -58.025
bonds (distance) P-C4' energy: -58.598
flat angles C4'-P-C4' energy: -77.937
flat angles P-C4'-P energy: -37.877
tors. eta vs tors. theta energy: -96.835
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: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -931.749896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.749896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.749896 (E_RNA)
where:
Base-Base interactions energy: -605.526
where: short stacking energy: -269.080
Base-Backbone interact. energy: 0.395
local terms energy: -326.618588
where:
bonds (distance) C4'-P energy: -60.388
bonds (distance) P-C4' energy: -66.922
flat angles C4'-P-C4' energy: -63.537
flat angles P-C4'-P energy: -53.867
tors. eta vs tors. theta energy: -81.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -890.640558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.640558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.640558 (E_RNA)
where:
Base-Base interactions energy: -573.101
where: short stacking energy: -249.693
Base-Backbone interact. energy: -1.038
local terms energy: -316.501367
where:
bonds (distance) C4'-P energy: -66.824
bonds (distance) P-C4' energy: -63.835
flat angles C4'-P-C4' energy: -68.955
flat angles P-C4'-P energy: -39.831
tors. eta vs tors. theta energy: -77.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -510.754736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.754736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.754736 (E_RNA)
where:
Base-Base interactions energy: -277.503
where: short stacking energy: -165.118
Base-Backbone interact. energy: -0.864
local terms energy: -232.388568
where:
bonds (distance) C4'-P energy: -59.081
bonds (distance) P-C4' energy: -59.341
flat angles C4'-P-C4' energy: -51.347
flat angles P-C4'-P energy: -35.953
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -412.448731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.448731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.448731 (E_RNA)
where:
Base-Base interactions energy: -186.470
where: short stacking energy: -117.219
Base-Backbone interact. energy: -1.125
local terms energy: -224.853938
where:
bonds (distance) C4'-P energy: -57.238
bonds (distance) P-C4' energy: -66.009
flat angles C4'-P-C4' energy: -48.381
flat angles P-C4'-P energy: -41.487
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -335.560891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.560891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.560891 (E_RNA)
where:
Base-Base interactions energy: -139.272
where: short stacking energy: -98.382
Base-Backbone interact. energy: 0.519
local terms energy: -196.808232
where:
bonds (distance) C4'-P energy: -49.285
bonds (distance) P-C4' energy: -71.060
flat angles C4'-P-C4' energy: -48.747
flat angles P-C4'-P energy: -28.244
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -292.858535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.858535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.858535 (E_RNA)
where:
Base-Base interactions energy: -78.178
where: short stacking energy: -59.636
Base-Backbone interact. energy: 0.863
local terms energy: -215.543974
where:
bonds (distance) C4'-P energy: -51.130
bonds (distance) P-C4' energy: -74.045
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -33.272
tors. eta vs tors. theta energy: 2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -290.158024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.158024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.158024 (E_RNA)
where:
Base-Base interactions energy: -105.145
where: short stacking energy: -69.842
Base-Backbone interact. energy: -1.869
local terms energy: -183.143979
where:
bonds (distance) C4'-P energy: -53.077
bonds (distance) P-C4' energy: -67.348
flat angles C4'-P-C4' energy: -42.497
flat angles P-C4'-P energy: -31.319
tors. eta vs tors. theta energy: 11.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1111.170221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.170221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.170221 (E_RNA)
where:
Base-Base interactions energy: -766.994
where: short stacking energy: -288.175
Base-Backbone interact. energy: -0.498
local terms energy: -343.677409
where:
bonds (distance) C4'-P energy: -64.396
bonds (distance) P-C4' energy: -65.432
flat angles C4'-P-C4' energy: -65.309
flat angles P-C4'-P energy: -51.773
tors. eta vs tors. theta energy: -96.767
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: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1043.670860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.670860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.670860 (E_RNA)
where:
Base-Base interactions energy: -690.595
where: short stacking energy: -307.436
Base-Backbone interact. energy: -0.229
local terms energy: -352.847385
where:
bonds (distance) C4'-P energy: -74.684
bonds (distance) P-C4' energy: -64.692
flat angles C4'-P-C4' energy: -76.623
flat angles P-C4'-P energy: -46.873
tors. eta vs tors. theta energy: -89.975
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: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -973.491200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.491200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.491200 (E_RNA)
where:
Base-Base interactions energy: -650.719
where: short stacking energy: -281.912
Base-Backbone interact. energy: -0.492
local terms energy: -322.280470
where:
bonds (distance) C4'-P energy: -58.635
bonds (distance) P-C4' energy: -65.135
flat angles C4'-P-C4' energy: -65.458
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -93.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -941.526497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.526497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.526497 (E_RNA)
where:
Base-Base interactions energy: -615.945
where: short stacking energy: -269.926
Base-Backbone interact. energy: 0.420
local terms energy: -326.001677
where:
bonds (distance) C4'-P energy: -65.340
bonds (distance) P-C4' energy: -63.843
flat angles C4'-P-C4' energy: -66.602
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -85.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -878.505624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.505624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.505624 (E_RNA)
where:
Base-Base interactions energy: -556.454
where: short stacking energy: -247.415
Base-Backbone interact. energy: -1.652
local terms energy: -320.399872
where:
bonds (distance) C4'-P energy: -60.829
bonds (distance) P-C4' energy: -52.112
flat angles C4'-P-C4' energy: -72.947
flat angles P-C4'-P energy: -54.729
tors. eta vs tors. theta energy: -79.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -508.550459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.550459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.550459 (E_RNA)
where:
Base-Base interactions energy: -254.802
where: short stacking energy: -131.587
Base-Backbone interact. energy: -1.107
local terms energy: -252.641741
where:
bonds (distance) C4'-P energy: -52.547
bonds (distance) P-C4' energy: -66.991
flat angles C4'-P-C4' energy: -59.717
flat angles P-C4'-P energy: -46.422
tors. eta vs tors. theta energy: -26.966
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: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -448.507448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.507448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.507448 (E_RNA)
where:
Base-Base interactions energy: -220.368
where: short stacking energy: -116.294
Base-Backbone interact. energy: -0.054
local terms energy: -228.085128
where:
bonds (distance) C4'-P energy: -62.599
bonds (distance) P-C4' energy: -64.051
flat angles C4'-P-C4' energy: -53.006
flat angles P-C4'-P energy: -34.754
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -305.333728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.333728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.333728 (E_RNA)
where:
Base-Base interactions energy: -117.290
where: short stacking energy: -89.407
Base-Backbone interact. energy: 1.270
local terms energy: -189.971607
where:
bonds (distance) C4'-P energy: -59.467
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -44.465
flat angles P-C4'-P energy: -33.575
tors. eta vs tors. theta energy: 1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.657 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -281.886517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.886517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.886517 (E_RNA)
where:
Base-Base interactions energy: -89.961
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.632
local terms energy: -191.293332
where:
bonds (distance) C4'-P energy: -63.047
bonds (distance) P-C4' energy: -61.821
flat angles C4'-P-C4' energy: -45.713
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: 5.839
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: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -307.322864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.322864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.322864 (E_RNA)
where:
Base-Base interactions energy: -112.483
where: short stacking energy: -55.158
Base-Backbone interact. energy: -2.075
local terms energy: -192.765139
where:
bonds (distance) C4'-P energy: -60.875
bonds (distance) P-C4' energy: -59.640
flat angles C4'-P-C4' energy: -38.797
flat angles P-C4'-P energy: -44.461
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: 8
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1105.004585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.004585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.004585 (E_RNA)
where:
Base-Base interactions energy: -748.067
where: short stacking energy: -293.428
Base-Backbone interact. energy: -2.318
local terms energy: -354.618668
where:
bonds (distance) C4'-P energy: -69.570
bonds (distance) P-C4' energy: -63.009
flat angles C4'-P-C4' energy: -78.050
flat angles P-C4'-P energy: -49.567
tors. eta vs tors. theta energy: -94.423
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: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1046.815293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.815293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.815293 (E_RNA)
where:
Base-Base interactions energy: -691.832
where: short stacking energy: -307.247
Base-Backbone interact. energy: -1.711
local terms energy: -353.272486
where:
bonds (distance) C4'-P energy: -63.000
bonds (distance) P-C4' energy: -67.907
flat angles C4'-P-C4' energy: -78.870
flat angles P-C4'-P energy: -50.705
tors. eta vs tors. theta energy: -92.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -976.140094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.140094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.140094 (E_RNA)
where:
Base-Base interactions energy: -644.780
where: short stacking energy: -275.370
Base-Backbone interact. energy: -0.697
local terms energy: -330.663360
where:
bonds (distance) C4'-P energy: -66.164
bonds (distance) P-C4' energy: -58.947
flat angles C4'-P-C4' energy: -76.323
flat angles P-C4'-P energy: -43.934
tors. eta vs tors. theta energy: -85.295
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: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -973.325673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.325673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.325673 (E_RNA)
where:
Base-Base interactions energy: -628.493
where: short stacking energy: -280.526
Base-Backbone interact. energy: -2.012
local terms energy: -342.820651
where:
bonds (distance) C4'-P energy: -71.897
bonds (distance) P-C4' energy: -62.951
flat angles C4'-P-C4' energy: -63.587
flat angles P-C4'-P energy: -48.280
tors. eta vs tors. theta energy: -96.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -878.144838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.144838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.144838 (E_RNA)
where:
Base-Base interactions energy: -573.309
where: short stacking energy: -245.105
Base-Backbone interact. energy: 1.250
local terms energy: -306.085700
where:
bonds (distance) C4'-P energy: -60.475
bonds (distance) P-C4' energy: -61.429
flat angles C4'-P-C4' energy: -61.669
flat angles P-C4'-P energy: -48.326
tors. eta vs tors. theta energy: -74.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -517.740627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.740627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.740627 (E_RNA)
where:
Base-Base interactions energy: -275.760
where: short stacking energy: -146.444
Base-Backbone interact. energy: -0.792
local terms energy: -241.188690
where:
bonds (distance) C4'-P energy: -55.391
bonds (distance) P-C4' energy: -67.475
flat angles C4'-P-C4' energy: -53.919
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -32.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -423.975133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.975133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.975133 (E_RNA)
where:
Base-Base interactions energy: -197.590
where: short stacking energy: -121.738
Base-Backbone interact. energy: 3.156
local terms energy: -229.541405
where:
bonds (distance) C4'-P energy: -52.281
bonds (distance) P-C4' energy: -65.721
flat angles C4'-P-C4' energy: -48.214
flat angles P-C4'-P energy: -42.460
tors. eta vs tors. theta energy: -20.865
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: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -296.568849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.568849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.568849 (E_RNA)
where:
Base-Base interactions energy: -108.433
where: short stacking energy: -72.053
Base-Backbone interact. energy: -0.032
local terms energy: -188.103097
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -54.619
flat angles C4'-P-C4' energy: -50.634
flat angles P-C4'-P energy: -29.510
tors. eta vs tors. theta energy: 4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -312.040350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.040350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.040350 (E_RNA)
where:
Base-Base interactions energy: -132.421
where: short stacking energy: -66.598
Base-Backbone interact. energy: -1.462
local terms energy: -178.157462
where:
bonds (distance) C4'-P energy: -54.854
bonds (distance) P-C4' energy: -62.128
flat angles C4'-P-C4' energy: -34.908
flat angles P-C4'-P energy: -35.146
tors. eta vs tors. theta energy: 8.879
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: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -270.558307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.558307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.558307 (E_RNA)
where:
Base-Base interactions energy: -106.589
where: short stacking energy: -93.053
Base-Backbone interact. energy: 0.093
local terms energy: -164.062464
where:
bonds (distance) C4'-P energy: -53.133
bonds (distance) P-C4' energy: -64.988
flat angles C4'-P-C4' energy: -32.152
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: 6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1105.647587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.647587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.647587 (E_RNA)
where:
Base-Base interactions energy: -753.892
where: short stacking energy: -282.216
Base-Backbone interact. energy: -0.283
local terms energy: -351.473172
where:
bonds (distance) C4'-P energy: -68.128
bonds (distance) P-C4' energy: -66.849
flat angles C4'-P-C4' energy: -65.035
flat angles P-C4'-P energy: -55.247
tors. eta vs tors. theta energy: -96.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1025.292813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.292813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.292813 (E_RNA)
where:
Base-Base interactions energy: -687.964
where: short stacking energy: -296.220
Base-Backbone interact. energy: -1.144
local terms energy: -336.185356
where:
bonds (distance) C4'-P energy: -62.520
bonds (distance) P-C4' energy: -70.259
flat angles C4'-P-C4' energy: -67.370
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -94.523
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: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -990.076423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.076423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.076423 (E_RNA)
where:
Base-Base interactions energy: -644.758
where: short stacking energy: -274.777
Base-Backbone interact. energy: -0.411
local terms energy: -344.907269
where:
bonds (distance) C4'-P energy: -55.952
bonds (distance) P-C4' energy: -71.145
flat angles C4'-P-C4' energy: -66.847
flat angles P-C4'-P energy: -49.378
tors. eta vs tors. theta energy: -101.587
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: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -979.716732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.716732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.716732 (E_RNA)
where:
Base-Base interactions energy: -639.746
where: short stacking energy: -264.777
Base-Backbone interact. energy: -0.301
local terms energy: -339.668889
where:
bonds (distance) C4'-P energy: -59.287
bonds (distance) P-C4' energy: -68.780
flat angles C4'-P-C4' energy: -74.173
flat angles P-C4'-P energy: -42.324
tors. eta vs tors. theta energy: -95.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -881.026731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.026731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.026731 (E_RNA)
where:
Base-Base interactions energy: -559.897
where: short stacking energy: -229.122
Base-Backbone interact. energy: -0.590
local terms energy: -320.539883
where:
bonds (distance) C4'-P energy: -65.733
bonds (distance) P-C4' energy: -64.945
flat angles C4'-P-C4' energy: -64.234
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: -73.094
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: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -486.166604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.166604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.166604 (E_RNA)
where:
Base-Base interactions energy: -229.821
where: short stacking energy: -116.572
Base-Backbone interact. energy: -0.594
local terms energy: -255.752150
where:
bonds (distance) C4'-P energy: -58.821
bonds (distance) P-C4' energy: -67.481
flat angles C4'-P-C4' energy: -58.510
flat angles P-C4'-P energy: -47.661
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -441.994091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.994091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.994091 (E_RNA)
where:
Base-Base interactions energy: -224.818
where: short stacking energy: -111.289
Base-Backbone interact. energy: 4.189
local terms energy: -221.365853
where:
bonds (distance) C4'-P energy: -53.679
bonds (distance) P-C4' energy: -62.160
flat angles C4'-P-C4' energy: -53.950
flat angles P-C4'-P energy: -43.474
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -298.330553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.330553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.330553 (E_RNA)
where:
Base-Base interactions energy: -108.713
where: short stacking energy: -74.255
Base-Backbone interact. energy: -1.889
local terms energy: -187.728675
where:
bonds (distance) C4'-P energy: -52.586
bonds (distance) P-C4' energy: -54.189
flat angles C4'-P-C4' energy: -60.061
flat angles P-C4'-P energy: -27.087
tors. eta vs tors. theta energy: 6.193
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: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -296.112392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.112392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.112392 (E_RNA)
where:
Base-Base interactions energy: -109.004
where: short stacking energy: -83.031
Base-Backbone interact. energy: -0.231
local terms energy: -186.877506
where:
bonds (distance) C4'-P energy: -57.312
bonds (distance) P-C4' energy: -59.998
flat angles C4'-P-C4' energy: -45.005
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -255.338947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.338947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.338947 (E_RNA)
where:
Base-Base interactions energy: -65.064
where: short stacking energy: -42.785
Base-Backbone interact. energy: 2.332
local terms energy: -192.606913
where:
bonds (distance) C4'-P energy: -54.536
bonds (distance) P-C4' energy: -60.178
flat angles C4'-P-C4' energy: -53.359
flat angles P-C4'-P energy: -40.814
tors. eta vs tors. theta energy: 16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1125.235694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.235694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.235694 (E_RNA)
where:
Base-Base interactions energy: -762.328
where: short stacking energy: -279.056
Base-Backbone interact. energy: 2.873
local terms energy: -365.781482
where:
bonds (distance) C4'-P energy: -68.021
bonds (distance) P-C4' energy: -73.213
flat angles C4'-P-C4' energy: -75.470
flat angles P-C4'-P energy: -50.263
tors. eta vs tors. theta energy: -98.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1031.142353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.142353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.142353 (E_RNA)
where:
Base-Base interactions energy: -702.167
where: short stacking energy: -272.100
Base-Backbone interact. energy: -0.780
local terms energy: -328.195811
where:
bonds (distance) C4'-P energy: -63.797
bonds (distance) P-C4' energy: -66.660
flat angles C4'-P-C4' energy: -67.165
flat angles P-C4'-P energy: -46.893
tors. eta vs tors. theta energy: -83.682
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: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1010.293021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.293021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.293021 (E_RNA)
where:
Base-Base interactions energy: -681.616
where: short stacking energy: -294.244
Base-Backbone interact. energy: -0.309
local terms energy: -328.367890
where:
bonds (distance) C4'-P energy: -74.913
bonds (distance) P-C4' energy: -63.346
flat angles C4'-P-C4' energy: -54.907
flat angles P-C4'-P energy: -39.570
tors. eta vs tors. theta energy: -95.632
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: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -962.635611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.635611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.635611 (E_RNA)
where:
Base-Base interactions energy: -631.605
where: short stacking energy: -276.095
Base-Backbone interact. energy: -1.120
local terms energy: -329.910467
where:
bonds (distance) C4'-P energy: -61.844
bonds (distance) P-C4' energy: -51.180
flat angles C4'-P-C4' energy: -68.536
flat angles P-C4'-P energy: -45.613
tors. eta vs tors. theta energy: -102.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -853.534255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.534255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.534255 (E_RNA)
where:
Base-Base interactions energy: -561.683
where: short stacking energy: -235.624
Base-Backbone interact. energy: 0.551
local terms energy: -292.402493
where:
bonds (distance) C4'-P energy: -58.172
bonds (distance) P-C4' energy: -71.875
flat angles C4'-P-C4' energy: -57.777
flat angles P-C4'-P energy: -41.938
tors. eta vs tors. theta energy: -62.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -530.200384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.200384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.200384 (E_RNA)
where:
Base-Base interactions energy: -281.567
where: short stacking energy: -126.533
Base-Backbone interact. energy: -2.211
local terms energy: -246.422377
where:
bonds (distance) C4'-P energy: -54.390
bonds (distance) P-C4' energy: -57.890
flat angles C4'-P-C4' energy: -62.541
flat angles P-C4'-P energy: -37.487
tors. eta vs tors. theta energy: -34.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -429.120234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.120234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.120234 (E_RNA)
where:
Base-Base interactions energy: -232.532
where: short stacking energy: -107.047
Base-Backbone interact. energy: 0.149
local terms energy: -196.736989
where:
bonds (distance) C4'-P energy: -66.861
bonds (distance) P-C4' energy: -52.535
flat angles C4'-P-C4' energy: -49.788
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -337.839338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.839338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.839338 (E_RNA)
where:
Base-Base interactions energy: -148.735
where: short stacking energy: -108.075
Base-Backbone interact. energy: -1.549
local terms energy: -187.555914
where:
bonds (distance) C4'-P energy: -56.367
bonds (distance) P-C4' energy: -50.867
flat angles C4'-P-C4' energy: -50.237
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -8.071
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: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -262.769465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.769465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.769465 (E_RNA)
where:
Base-Base interactions energy: -91.409
where: short stacking energy: -48.644
Base-Backbone interact. energy: -1.087
local terms energy: -170.273889
where:
bonds (distance) C4'-P energy: -59.666
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -53.411
flat angles P-C4'-P energy: -29.432
tors. eta vs tors. theta energy: 25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -261.544357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.544357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.544357 (E_RNA)
where:
Base-Base interactions energy: -79.689
where: short stacking energy: -65.593
Base-Backbone interact. energy: 1.593
local terms energy: -183.448233
where:
bonds (distance) C4'-P energy: -58.690
bonds (distance) P-C4' energy: -56.935
flat angles C4'-P-C4' energy: -45.446
flat angles P-C4'-P energy: -23.858
tors. eta vs tors. theta energy: 1.481
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: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1126.288350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.288350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.288350 (E_RNA)
where:
Base-Base interactions energy: -777.973
where: short stacking energy: -310.193
Base-Backbone interact. energy: -2.806
local terms energy: -345.508718
where:
bonds (distance) C4'-P energy: -67.793
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -62.467
flat angles P-C4'-P energy: -50.609
tors. eta vs tors. theta energy: -99.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1015.849187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.849187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.849187 (E_RNA)
where:
Base-Base interactions energy: -679.011
where: short stacking energy: -293.669
Base-Backbone interact. energy: 0.163
local terms energy: -337.000765
where:
bonds (distance) C4'-P energy: -66.039
bonds (distance) P-C4' energy: -61.559
flat angles C4'-P-C4' energy: -69.431
flat angles P-C4'-P energy: -53.044
tors. eta vs tors. theta energy: -86.928
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: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1007.981884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.981884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.981884 (E_RNA)
where:
Base-Base interactions energy: -668.524
where: short stacking energy: -281.598
Base-Backbone interact. energy: -0.332
local terms energy: -339.126135
where:
bonds (distance) C4'-P energy: -65.267
bonds (distance) P-C4' energy: -62.709
flat angles C4'-P-C4' energy: -70.658
flat angles P-C4'-P energy: -48.897
tors. eta vs tors. theta energy: -91.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -936.916369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.916369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.916369 (E_RNA)
where:
Base-Base interactions energy: -597.779
where: short stacking energy: -265.189
Base-Backbone interact. energy: -0.608
local terms energy: -338.529241
where:
bonds (distance) C4'-P energy: -68.099
bonds (distance) P-C4' energy: -66.608
flat angles C4'-P-C4' energy: -64.502
flat angles P-C4'-P energy: -49.210
tors. eta vs tors. theta energy: -90.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -854.889793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.889793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.889793 (E_RNA)
where:
Base-Base interactions energy: -565.344
where: short stacking energy: -260.580
Base-Backbone interact. energy: -0.914
local terms energy: -288.631982
where:
bonds (distance) C4'-P energy: -50.406
bonds (distance) P-C4' energy: -53.143
flat angles C4'-P-C4' energy: -64.641
flat angles P-C4'-P energy: -55.565
tors. eta vs tors. theta energy: -64.877
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: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -509.865415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.865415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.865415 (E_RNA)
where:
Base-Base interactions energy: -268.568
where: short stacking energy: -151.795
Base-Backbone interact. energy: -1.203
local terms energy: -240.094806
where:
bonds (distance) C4'-P energy: -62.790
bonds (distance) P-C4' energy: -62.922
flat angles C4'-P-C4' energy: -58.251
flat angles P-C4'-P energy: -31.238
tors. eta vs tors. theta energy: -24.893
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: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -424.182143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.182143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.182143 (E_RNA)
where:
Base-Base interactions energy: -200.053
where: short stacking energy: -126.863
Base-Backbone interact. energy: -1.605
local terms energy: -222.523980
where:
bonds (distance) C4'-P energy: -64.074
bonds (distance) P-C4' energy: -54.163
flat angles C4'-P-C4' energy: -54.942
flat angles P-C4'-P energy: -30.380
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -318.646235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.646235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.646235 (E_RNA)
where:
Base-Base interactions energy: -127.529
where: short stacking energy: -75.053
Base-Backbone interact. energy: 0.411
local terms energy: -191.527741
where:
bonds (distance) C4'-P energy: -60.040
bonds (distance) P-C4' energy: -67.277
flat angles C4'-P-C4' energy: -35.329
flat angles P-C4'-P energy: -40.286
tors. eta vs tors. theta energy: 11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -293.181624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.181624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.181624 (E_RNA)
where:
Base-Base interactions energy: -107.809
where: short stacking energy: -99.059
Base-Backbone interact. energy: -1.309
local terms energy: -184.064150
where:
bonds (distance) C4'-P energy: -51.589
bonds (distance) P-C4' energy: -56.819
flat angles C4'-P-C4' energy: -42.260
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -261.843373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.843373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.843373 (E_RNA)
where:
Base-Base interactions energy: -77.285
where: short stacking energy: -56.743
Base-Backbone interact. energy: -2.626
local terms energy: -181.932536
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -70.581
flat angles C4'-P-C4' energy: -55.928
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: 19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1114.042762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.042762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.042762 (E_RNA)
where:
Base-Base interactions energy: -767.311
where: short stacking energy: -291.137
Base-Backbone interact. energy: -2.501
local terms energy: -344.230497
where:
bonds (distance) C4'-P energy: -60.003
bonds (distance) P-C4' energy: -75.279
flat angles C4'-P-C4' energy: -69.280
flat angles P-C4'-P energy: -45.700
tors. eta vs tors. theta energy: -93.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1022.379621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.379621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.379621 (E_RNA)
where:
Base-Base interactions energy: -684.904
where: short stacking energy: -283.593
Base-Backbone interact. energy: -2.038
local terms energy: -335.774589
where:
bonds (distance) C4'-P energy: -68.078
bonds (distance) P-C4' energy: -71.157
flat angles C4'-P-C4' energy: -65.614
flat angles P-C4'-P energy: -46.329
tors. eta vs tors. theta energy: -84.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.337 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1012.711623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.711623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.711623 (E_RNA)
where:
Base-Base interactions energy: -662.603
where: short stacking energy: -293.204
Base-Backbone interact. energy: -0.232
local terms energy: -349.876784
where:
bonds (distance) C4'-P energy: -65.967
bonds (distance) P-C4' energy: -65.313
flat angles C4'-P-C4' energy: -68.419
flat angles P-C4'-P energy: -49.446
tors. eta vs tors. theta energy: -100.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -959.591239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.591239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.591239 (E_RNA)
where:
Base-Base interactions energy: -624.003
where: short stacking energy: -278.216
Base-Backbone interact. energy: -1.636
local terms energy: -333.952279
where:
bonds (distance) C4'-P energy: -52.992
bonds (distance) P-C4' energy: -62.026
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -100.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -835.804994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.804994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.804994 (E_RNA)
where:
Base-Base interactions energy: -544.253
where: short stacking energy: -245.418
Base-Backbone interact. energy: -0.096
local terms energy: -291.456446
where:
bonds (distance) C4'-P energy: -56.223
bonds (distance) P-C4' energy: -52.001
flat angles C4'-P-C4' energy: -66.346
flat angles P-C4'-P energy: -39.889
tors. eta vs tors. theta energy: -76.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -495.180117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.180117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.180117 (E_RNA)
where:
Base-Base interactions energy: -267.257
where: short stacking energy: -116.096
Base-Backbone interact. energy: 1.648
local terms energy: -229.571403
where:
bonds (distance) C4'-P energy: -68.544
bonds (distance) P-C4' energy: -46.723
flat angles C4'-P-C4' energy: -61.097
flat angles P-C4'-P energy: -31.901
tors. eta vs tors. theta energy: -21.306
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: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -448.053407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.053407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.053407 (E_RNA)
where:
Base-Base interactions energy: -194.217
where: short stacking energy: -102.670
Base-Backbone interact. energy: -1.460
local terms energy: -252.376652
where:
bonds (distance) C4'-P energy: -67.188
bonds (distance) P-C4' energy: -60.926
flat angles C4'-P-C4' energy: -59.966
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -23.761
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: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -288.148971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.148971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.148971 (E_RNA)
where:
Base-Base interactions energy: -97.544
where: short stacking energy: -77.216
Base-Backbone interact. energy: 0.057
local terms energy: -190.662139
where:
bonds (distance) C4'-P energy: -51.059
bonds (distance) P-C4' energy: -71.736
flat angles C4'-P-C4' energy: -45.541
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: 3.545
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: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -291.686594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.686594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.686594 (E_RNA)
where:
Base-Base interactions energy: -110.422
where: short stacking energy: -65.259
Base-Backbone interact. energy: -0.997
local terms energy: -180.267594
where:
bonds (distance) C4'-P energy: -52.192
bonds (distance) P-C4' energy: -57.701
flat angles C4'-P-C4' energy: -53.738
flat angles P-C4'-P energy: -28.530
tors. eta vs tors. theta energy: 11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -285.963204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.963204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.963204 (E_RNA)
where:
Base-Base interactions energy: -101.711
where: short stacking energy: -54.589
Base-Backbone interact. energy: -1.078
local terms energy: -183.174695
where:
bonds (distance) C4'-P energy: -50.181
bonds (distance) P-C4' energy: -61.855
flat angles C4'-P-C4' energy: -49.958
flat angles P-C4'-P energy: -33.394
tors. eta vs tors. theta energy: 12.213
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: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1124.502753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.502753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.502753 (E_RNA)
where:
Base-Base interactions energy: -783.170
where: short stacking energy: -307.453
Base-Backbone interact. energy: -1.873
local terms energy: -339.459185
where:
bonds (distance) C4'-P energy: -65.343
bonds (distance) P-C4' energy: -60.980
flat angles C4'-P-C4' energy: -66.926
flat angles P-C4'-P energy: -40.258
tors. eta vs tors. theta energy: -105.952
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: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1051.654095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.654095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.654095 (E_RNA)
where:
Base-Base interactions energy: -714.350
where: short stacking energy: -318.428
Base-Backbone interact. energy: 0.270
local terms energy: -337.574534
where:
bonds (distance) C4'-P energy: -59.210
bonds (distance) P-C4' energy: -69.072
flat angles C4'-P-C4' energy: -69.596
flat angles P-C4'-P energy: -40.661
tors. eta vs tors. theta energy: -99.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -998.567311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.567311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.567311 (E_RNA)
where:
Base-Base interactions energy: -666.109
where: short stacking energy: -309.663
Base-Backbone interact. energy: 1.462
local terms energy: -333.920191
where:
bonds (distance) C4'-P energy: -62.584
bonds (distance) P-C4' energy: -63.465
flat angles C4'-P-C4' energy: -62.314
flat angles P-C4'-P energy: -53.919
tors. eta vs tors. theta energy: -91.639
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: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -940.086227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.086227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.086227 (E_RNA)
where:
Base-Base interactions energy: -610.600
where: short stacking energy: -259.066
Base-Backbone interact. energy: -1.435
local terms energy: -328.051193
where:
bonds (distance) C4'-P energy: -69.982
bonds (distance) P-C4' energy: -63.837
flat angles C4'-P-C4' energy: -72.545
flat angles P-C4'-P energy: -41.665
tors. eta vs tors. theta energy: -80.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -840.031957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.031957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.031957 (E_RNA)
where:
Base-Base interactions energy: -543.648
where: short stacking energy: -242.778
Base-Backbone interact. energy: 0.665
local terms energy: -297.048412
where:
bonds (distance) C4'-P energy: -55.052
bonds (distance) P-C4' energy: -72.518
flat angles C4'-P-C4' energy: -62.276
flat angles P-C4'-P energy: -42.073
tors. eta vs tors. theta energy: -65.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -471.898757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.898757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.898757 (E_RNA)
where:
Base-Base interactions energy: -228.813
where: short stacking energy: -129.316
Base-Backbone interact. energy: 0.867
local terms energy: -243.952573
where:
bonds (distance) C4'-P energy: -58.575
bonds (distance) P-C4' energy: -66.614
flat angles C4'-P-C4' energy: -67.312
flat angles P-C4'-P energy: -34.313
tors. eta vs tors. theta energy: -17.139
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: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -453.104986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.104986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.104986 (E_RNA)
where:
Base-Base interactions energy: -229.130
where: short stacking energy: -124.902
Base-Backbone interact. energy: 1.408
local terms energy: -225.382466
where:
bonds (distance) C4'-P energy: -60.632
bonds (distance) P-C4' energy: -54.213
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -34.537
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -341.737237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.737237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.737237 (E_RNA)
where:
Base-Base interactions energy: -158.258
where: short stacking energy: -87.564
Base-Backbone interact. energy: -1.550
local terms energy: -181.929702
where:
bonds (distance) C4'-P energy: -47.308
bonds (distance) P-C4' energy: -63.422
flat angles C4'-P-C4' energy: -50.546
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -3.185
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: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -277.495275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.495275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.495275 (E_RNA)
where:
Base-Base interactions energy: -86.925
where: short stacking energy: -65.064
Base-Backbone interact. energy: 0.594
local terms energy: -191.163748
where:
bonds (distance) C4'-P energy: -60.490
bonds (distance) P-C4' energy: -57.726
flat angles C4'-P-C4' energy: -49.810
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -276.911467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.911467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.911467 (E_RNA)
where:
Base-Base interactions energy: -112.235
where: short stacking energy: -68.455
Base-Backbone interact. energy: 0.208
local terms energy: -164.884155
where:
bonds (distance) C4'-P energy: -47.938
bonds (distance) P-C4' energy: -57.542
flat angles C4'-P-C4' energy: -50.359
flat angles P-C4'-P energy: -27.826
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: 8
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1129.576871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.576871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.576871 (E_RNA)
where:
Base-Base interactions energy: -768.088
where: short stacking energy: -301.326
Base-Backbone interact. energy: -1.732
local terms energy: -359.756522
where:
bonds (distance) C4'-P energy: -64.274
bonds (distance) P-C4' energy: -67.574
flat angles C4'-P-C4' energy: -77.780
flat angles P-C4'-P energy: -48.929
tors. eta vs tors. theta energy: -101.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1060.412001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.412001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.412001 (E_RNA)
where:
Base-Base interactions energy: -701.158
where: short stacking energy: -306.741
Base-Backbone interact. energy: 0.737
local terms energy: -359.991321
where:
bonds (distance) C4'-P energy: -67.211
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -75.416
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -101.527
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: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1005.596509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.596509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.596509 (E_RNA)
where:
Base-Base interactions energy: -674.789
where: short stacking energy: -295.091
Base-Backbone interact. energy: -0.629
local terms energy: -330.179417
where:
bonds (distance) C4'-P energy: -60.094
bonds (distance) P-C4' energy: -69.619
flat angles C4'-P-C4' energy: -72.805
flat angles P-C4'-P energy: -39.372
tors. eta vs tors. theta energy: -88.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -941.523217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.523217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.523217 (E_RNA)
where:
Base-Base interactions energy: -616.798
where: short stacking energy: -273.593
Base-Backbone interact. energy: -1.543
local terms energy: -323.183064
where:
bonds (distance) C4'-P energy: -57.325
bonds (distance) P-C4' energy: -59.200
flat angles C4'-P-C4' energy: -67.630
flat angles P-C4'-P energy: -43.866
tors. eta vs tors. theta energy: -95.161
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: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -878.401805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.401805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.401805 (E_RNA)
where:
Base-Base interactions energy: -572.490
where: short stacking energy: -249.946
Base-Backbone interact. energy: -0.540
local terms energy: -305.372173
where:
bonds (distance) C4'-P energy: -61.363
bonds (distance) P-C4' energy: -55.689
flat angles C4'-P-C4' energy: -74.267
flat angles P-C4'-P energy: -38.988
tors. eta vs tors. theta energy: -75.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -481.866013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.866013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.866013 (E_RNA)
where:
Base-Base interactions energy: -255.135
where: short stacking energy: -125.981
Base-Backbone interact. energy: -0.688
local terms energy: -226.042813
where:
bonds (distance) C4'-P energy: -63.057
bonds (distance) P-C4' energy: -58.100
flat angles C4'-P-C4' energy: -52.367
flat angles P-C4'-P energy: -30.917
tors. eta vs tors. theta energy: -21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -460.175557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.175557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.175557 (E_RNA)
where:
Base-Base interactions energy: -236.486
where: short stacking energy: -109.135
Base-Backbone interact. energy: -1.243
local terms energy: -222.445945
where:
bonds (distance) C4'-P energy: -67.556
bonds (distance) P-C4' energy: -60.599
flat angles C4'-P-C4' energy: -56.638
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -353.921321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.921321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.921321 (E_RNA)
where:
Base-Base interactions energy: -155.342
where: short stacking energy: -91.545
Base-Backbone interact. energy: -1.560
local terms energy: -197.019644
where:
bonds (distance) C4'-P energy: -62.753
bonds (distance) P-C4' energy: -55.917
flat angles C4'-P-C4' energy: -52.397
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -266.779574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.779574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.779574 (E_RNA)
where:
Base-Base interactions energy: -97.134
where: short stacking energy: -81.047
Base-Backbone interact. energy: -2.106
local terms energy: -167.594765
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -58.688
flat angles C4'-P-C4' energy: -41.529
flat angles P-C4'-P energy: -26.222
tors. eta vs tors. theta energy: 8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.056 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -272.009302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.009302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.009302 (E_RNA)
where:
Base-Base interactions energy: -94.926
where: short stacking energy: -62.871
Base-Backbone interact. energy: -1.470
local terms energy: -175.612867
where:
bonds (distance) C4'-P energy: -59.354
bonds (distance) P-C4' energy: -65.989
flat angles C4'-P-C4' energy: -45.130
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: 21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1127.203870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.203870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.203870 (E_RNA)
where:
Base-Base interactions energy: -767.570
where: short stacking energy: -292.654
Base-Backbone interact. energy: -3.111
local terms energy: -356.522510
where:
bonds (distance) C4'-P energy: -62.871
bonds (distance) P-C4' energy: -72.157
flat angles C4'-P-C4' energy: -77.614
flat angles P-C4'-P energy: -49.513
tors. eta vs tors. theta energy: -94.367
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: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1061.629504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.629504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.629504 (E_RNA)
where:
Base-Base interactions energy: -701.213
where: short stacking energy: -324.160
Base-Backbone interact. energy: -0.655
local terms energy: -359.760870
where:
bonds (distance) C4'-P energy: -69.757
bonds (distance) P-C4' energy: -57.567
flat angles C4'-P-C4' energy: -80.442
flat angles P-C4'-P energy: -43.527
tors. eta vs tors. theta energy: -108.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -984.829439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.829439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.829439 (E_RNA)
where:
Base-Base interactions energy: -656.397
where: short stacking energy: -281.007
Base-Backbone interact. energy: 0.803
local terms energy: -329.234981
where:
bonds (distance) C4'-P energy: -57.586
bonds (distance) P-C4' energy: -56.830
flat angles C4'-P-C4' energy: -72.981
flat angles P-C4'-P energy: -54.129
tors. eta vs tors. theta energy: -87.710
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: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -889.714435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.714435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.714435 (E_RNA)
where:
Base-Base interactions energy: -575.768
where: short stacking energy: -253.914
Base-Backbone interact. energy: 0.957
local terms energy: -314.904113
where:
bonds (distance) C4'-P energy: -62.980
bonds (distance) P-C4' energy: -60.907
flat angles C4'-P-C4' energy: -72.390
flat angles P-C4'-P energy: -44.096
tors. eta vs tors. theta energy: -74.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -922.364854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.364854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.364854 (E_RNA)
where:
Base-Base interactions energy: -614.896
where: short stacking energy: -262.025
Base-Backbone interact. energy: -1.338
local terms energy: -306.131007
where:
bonds (distance) C4'-P energy: -58.423
bonds (distance) P-C4' energy: -73.341
flat angles C4'-P-C4' energy: -48.366
flat angles P-C4'-P energy: -42.672
tors. eta vs tors. theta energy: -83.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -471.940980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.940980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.940980 (E_RNA)
where:
Base-Base interactions energy: -244.032
where: short stacking energy: -126.475
Base-Backbone interact. energy: -1.018
local terms energy: -227.457635
where:
bonds (distance) C4'-P energy: -51.964
bonds (distance) P-C4' energy: -60.114
flat angles C4'-P-C4' energy: -61.660
flat angles P-C4'-P energy: -34.228
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.567 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -379.051282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.051282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.051282 (E_RNA)
where:
Base-Base interactions energy: -146.226
where: short stacking energy: -120.834
Base-Backbone interact. energy: -1.266
local terms energy: -231.710338
where:
bonds (distance) C4'-P energy: -58.679
bonds (distance) P-C4' energy: -52.359
flat angles C4'-P-C4' energy: -65.253
flat angles P-C4'-P energy: -40.438
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.150 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -317.860700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.860700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.860700 (E_RNA)
where:
Base-Base interactions energy: -107.626
where: short stacking energy: -92.769
Base-Backbone interact. energy: 1.746
local terms energy: -211.980920
where:
bonds (distance) C4'-P energy: -51.022
bonds (distance) P-C4' energy: -62.521
flat angles C4'-P-C4' energy: -60.776
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: 6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -281.468931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.468931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.468931 (E_RNA)
where:
Base-Base interactions energy: -103.710
where: short stacking energy: -76.130
Base-Backbone interact. energy: -0.637
local terms energy: -177.122204
where:
bonds (distance) C4'-P energy: -53.647
bonds (distance) P-C4' energy: -65.779
flat angles C4'-P-C4' energy: -47.965
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: 15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -254.548486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.548486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.548486 (E_RNA)
where:
Base-Base interactions energy: -98.994
where: short stacking energy: -78.723
Base-Backbone interact. energy: -0.375
local terms energy: -155.180022
where:
bonds (distance) C4'-P energy: -61.364
bonds (distance) P-C4' energy: -48.967
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: 14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1123.630390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.630390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.630390 (E_RNA)
where:
Base-Base interactions energy: -768.782
where: short stacking energy: -298.143
Base-Backbone interact. energy: -1.039
local terms energy: -353.809268
where:
bonds (distance) C4'-P energy: -63.762
bonds (distance) P-C4' energy: -67.096
flat angles C4'-P-C4' energy: -74.088
flat angles P-C4'-P energy: -48.740
tors. eta vs tors. theta energy: -100.123
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: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1084.831699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.831699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.831699 (E_RNA)
where:
Base-Base interactions energy: -704.586
where: short stacking energy: -320.939
Base-Backbone interact. energy: 2.342
local terms energy: -382.586920
where:
bonds (distance) C4'-P energy: -67.749
bonds (distance) P-C4' energy: -63.970
flat angles C4'-P-C4' energy: -80.512
flat angles P-C4'-P energy: -52.527
tors. eta vs tors. theta energy: -117.829
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: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -973.566891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.566891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.566891 (E_RNA)
where:
Base-Base interactions energy: -630.376
where: short stacking energy: -280.365
Base-Backbone interact. energy: -1.307
local terms energy: -341.884041
where:
bonds (distance) C4'-P energy: -70.066
bonds (distance) P-C4' energy: -61.593
flat angles C4'-P-C4' energy: -77.270
flat angles P-C4'-P energy: -38.677
tors. eta vs tors. theta energy: -94.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -920.234849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.234849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.234849 (E_RNA)
where:
Base-Base interactions energy: -583.478
where: short stacking energy: -275.929
Base-Backbone interact. energy: 2.244
local terms energy: -339.001422
where:
bonds (distance) C4'-P energy: -55.992
bonds (distance) P-C4' energy: -70.814
flat angles C4'-P-C4' energy: -76.004
flat angles P-C4'-P energy: -42.050
tors. eta vs tors. theta energy: -94.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -918.011034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.011034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.011034 (E_RNA)
where:
Base-Base interactions energy: -587.994
where: short stacking energy: -249.466
Base-Backbone interact. energy: -0.971
local terms energy: -329.046147
where:
bonds (distance) C4'-P energy: -62.841
bonds (distance) P-C4' energy: -58.075
flat angles C4'-P-C4' energy: -69.612
flat angles P-C4'-P energy: -53.222
tors. eta vs tors. theta energy: -85.296
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: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -543.680105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.680105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.680105 (E_RNA)
where:
Base-Base interactions energy: -303.494
where: short stacking energy: -137.371
Base-Backbone interact. energy: -1.181
local terms energy: -239.005773
where:
bonds (distance) C4'-P energy: -61.433
bonds (distance) P-C4' energy: -67.789
flat angles C4'-P-C4' energy: -50.214
flat angles P-C4'-P energy: -41.769
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -311.709248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.709248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.709248 (E_RNA)
where:
Base-Base interactions energy: -121.471
where: short stacking energy: -89.936
Base-Backbone interact. energy: 0.247
local terms energy: -190.485238
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -61.824
flat angles C4'-P-C4' energy: -42.859
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: 11.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -382.845096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.845096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.845096 (E_RNA)
where:
Base-Base interactions energy: -165.189
where: short stacking energy: -91.660
Base-Backbone interact. energy: -2.037
local terms energy: -215.618975
where:
bonds (distance) C4'-P energy: -54.452
bonds (distance) P-C4' energy: -63.129
flat angles C4'-P-C4' energy: -55.341
flat angles P-C4'-P energy: -35.201
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -308.365319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.365319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.365319 (E_RNA)
where:
Base-Base interactions energy: -125.420
where: short stacking energy: -76.619
Base-Backbone interact. energy: 5.274
local terms energy: -188.219656
where:
bonds (distance) C4'-P energy: -57.738
bonds (distance) P-C4' energy: -62.595
flat angles C4'-P-C4' energy: -44.869
flat angles P-C4'-P energy: -26.373
tors. eta vs tors. theta energy: 3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -267.671015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.671015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.671015 (E_RNA)
where:
Base-Base interactions energy: -99.236
where: short stacking energy: -44.423
Base-Backbone interact. energy: 0.854
local terms energy: -169.289181
where:
bonds (distance) C4'-P energy: -63.271
bonds (distance) P-C4' energy: -56.335
flat angles C4'-P-C4' energy: -45.184
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: 17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1145.728367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.728367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.728367 (E_RNA)
where:
Base-Base interactions energy: -801.435
where: short stacking energy: -303.443
Base-Backbone interact. energy: -0.669
local terms energy: -343.623830
where:
bonds (distance) C4'-P energy: -66.875
bonds (distance) P-C4' energy: -59.437
flat angles C4'-P-C4' energy: -69.856
flat angles P-C4'-P energy: -53.485
tors. eta vs tors. theta energy: -93.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1061.171343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.171343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.171343 (E_RNA)
where:
Base-Base interactions energy: -703.540
where: short stacking energy: -318.858
Base-Backbone interact. energy: -1.638
local terms energy: -355.992695
where:
bonds (distance) C4'-P energy: -64.512
bonds (distance) P-C4' energy: -57.931
flat angles C4'-P-C4' energy: -73.014
flat angles P-C4'-P energy: -49.239
tors. eta vs tors. theta energy: -111.297
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: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -959.021465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.021465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.021465 (E_RNA)
where:
Base-Base interactions energy: -639.380
where: short stacking energy: -274.900
Base-Backbone interact. energy: -0.234
local terms energy: -319.408257
where:
bonds (distance) C4'-P energy: -53.964
bonds (distance) P-C4' energy: -63.660
flat angles C4'-P-C4' energy: -67.818
flat angles P-C4'-P energy: -51.580
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: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -919.376907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.376907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.376907 (E_RNA)
where:
Base-Base interactions energy: -601.680
where: short stacking energy: -254.594
Base-Backbone interact. energy: -0.040
local terms energy: -317.656228
where:
bonds (distance) C4'-P energy: -60.663
bonds (distance) P-C4' energy: -61.725
flat angles C4'-P-C4' energy: -70.261
flat angles P-C4'-P energy: -43.042
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: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -875.204162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.204162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.204162 (E_RNA)
where:
Base-Base interactions energy: -573.921
where: short stacking energy: -248.903
Base-Backbone interact. energy: 1.489
local terms energy: -302.772261
where:
bonds (distance) C4'-P energy: -48.919
bonds (distance) P-C4' energy: -63.729
flat angles C4'-P-C4' energy: -68.746
flat angles P-C4'-P energy: -43.168
tors. eta vs tors. theta energy: -78.210
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: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -492.666136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.666136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.666136 (E_RNA)
where:
Base-Base interactions energy: -253.565
where: short stacking energy: -127.829
Base-Backbone interact. energy: -0.540
local terms energy: -238.561162
where:
bonds (distance) C4'-P energy: -60.804
bonds (distance) P-C4' energy: -55.314
flat angles C4'-P-C4' energy: -59.769
flat angles P-C4'-P energy: -38.360
tors. eta vs tors. theta energy: -24.315
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: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -365.147725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.147725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.147725 (E_RNA)
where:
Base-Base interactions energy: -160.674
where: short stacking energy: -96.984
Base-Backbone interact. energy: -1.118
local terms energy: -203.355220
where:
bonds (distance) C4'-P energy: -60.353
bonds (distance) P-C4' energy: -50.092
flat angles C4'-P-C4' energy: -61.523
flat angles P-C4'-P energy: -32.582
tors. eta vs tors. theta energy: 1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -379.125429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.125429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.125429 (E_RNA)
where:
Base-Base interactions energy: -168.849
where: short stacking energy: -105.287
Base-Backbone interact. energy: -2.475
local terms energy: -207.801571
where:
bonds (distance) C4'-P energy: -47.235
bonds (distance) P-C4' energy: -68.469
flat angles C4'-P-C4' energy: -62.014
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -285.341681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.341681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.341681 (E_RNA)
where:
Base-Base interactions energy: -94.289
where: short stacking energy: -62.575
Base-Backbone interact. energy: -0.743
local terms energy: -190.309523
where:
bonds (distance) C4'-P energy: -58.398
bonds (distance) P-C4' energy: -61.874
flat angles C4'-P-C4' energy: -44.027
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: 4.430
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: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -290.610836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.610836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.610836 (E_RNA)
where:
Base-Base interactions energy: -108.297
where: short stacking energy: -75.963
Base-Backbone interact. energy: 1.452
local terms energy: -183.765649
where:
bonds (distance) C4'-P energy: -52.276
bonds (distance) P-C4' energy: -58.480
flat angles C4'-P-C4' energy: -48.228
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -8.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1119.410192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.410192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.410192 (E_RNA)
where:
Base-Base interactions energy: -769.667
where: short stacking energy: -289.918
Base-Backbone interact. energy: -3.125
local terms energy: -346.618517
where:
bonds (distance) C4'-P energy: -68.735
bonds (distance) P-C4' energy: -70.295
flat angles C4'-P-C4' energy: -67.961
flat angles P-C4'-P energy: -42.467
tors. eta vs tors. theta energy: -97.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1057.247727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.247727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.247727 (E_RNA)
where:
Base-Base interactions energy: -683.852
where: short stacking energy: -310.874
Base-Backbone interact. energy: -0.779
local terms energy: -372.615825
where:
bonds (distance) C4'-P energy: -64.061
bonds (distance) P-C4' energy: -74.556
flat angles C4'-P-C4' energy: -71.074
flat angles P-C4'-P energy: -52.556
tors. eta vs tors. theta energy: -110.369
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: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -990.315098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.315098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.315098 (E_RNA)
where:
Base-Base interactions energy: -660.719
where: short stacking energy: -283.297
Base-Backbone interact. energy: -1.521
local terms energy: -328.074448
where:
bonds (distance) C4'-P energy: -65.272
bonds (distance) P-C4' energy: -69.947
flat angles C4'-P-C4' energy: -69.179
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -87.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -932.708228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.708228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.708228 (E_RNA)
where:
Base-Base interactions energy: -615.931
where: short stacking energy: -280.856
Base-Backbone interact. energy: -1.401
local terms energy: -315.376797
where:
bonds (distance) C4'-P energy: -52.585
bonds (distance) P-C4' energy: -59.899
flat angles C4'-P-C4' energy: -71.368
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -92.873
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: 5, replica: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -881.060065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.060065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.060065 (E_RNA)
where:
Base-Base interactions energy: -578.757
where: short stacking energy: -253.351
Base-Backbone interact. energy: -0.827
local terms energy: -301.475464
where:
bonds (distance) C4'-P energy: -51.871
bonds (distance) P-C4' energy: -58.991
flat angles C4'-P-C4' energy: -69.468
flat angles P-C4'-P energy: -47.294
tors. eta vs tors. theta energy: -73.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -545.054286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.054286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.054286 (E_RNA)
where:
Base-Base interactions energy: -289.549
where: short stacking energy: -155.599
Base-Backbone interact. energy: -2.328
local terms energy: -253.177890
where:
bonds (distance) C4'-P energy: -60.588
bonds (distance) P-C4' energy: -55.786
flat angles C4'-P-C4' energy: -58.230
flat angles P-C4'-P energy: -40.850
tors. eta vs tors. theta energy: -37.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -312.821660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.821660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.821660 (E_RNA)
where:
Base-Base interactions energy: -131.953
where: short stacking energy: -80.960
Base-Backbone interact. energy: -1.980
local terms energy: -178.888572
where:
bonds (distance) C4'-P energy: -56.759
bonds (distance) P-C4' energy: -64.610
flat angles C4'-P-C4' energy: -50.156
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: 19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -349.493776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.493776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.493776 (E_RNA)
where:
Base-Base interactions energy: -154.525
where: short stacking energy: -99.097
Base-Backbone interact. energy: -0.105
local terms energy: -194.863439
where:
bonds (distance) C4'-P energy: -53.228
bonds (distance) P-C4' energy: -57.087
flat angles C4'-P-C4' energy: -52.555
flat angles P-C4'-P energy: -28.086
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -281.979712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.979712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.979712 (E_RNA)
where:
Base-Base interactions energy: -81.000
where: short stacking energy: -75.495
Base-Backbone interact. energy: 0.158
local terms energy: -201.137211
where:
bonds (distance) C4'-P energy: -64.131
bonds (distance) P-C4' energy: -60.968
flat angles C4'-P-C4' energy: -62.423
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: 6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -239.906581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.906581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.906581 (E_RNA)
where:
Base-Base interactions energy: -62.304
where: short stacking energy: -44.209
Base-Backbone interact. energy: -0.010
local terms energy: -177.592892
where:
bonds (distance) C4'-P energy: -56.963
bonds (distance) P-C4' energy: -61.692
flat angles C4'-P-C4' energy: -54.576
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: 19.799
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: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1120.032090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.032090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.032090 (E_RNA)
where:
Base-Base interactions energy: -763.708
where: short stacking energy: -290.028
Base-Backbone interact. energy: -1.572
local terms energy: -354.751721
where:
bonds (distance) C4'-P energy: -68.486
bonds (distance) P-C4' energy: -66.847
flat angles C4'-P-C4' energy: -72.533
flat angles P-C4'-P energy: -50.989
tors. eta vs tors. theta energy: -95.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1041.685256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.685256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.685256 (E_RNA)
where:
Base-Base interactions energy: -670.866
where: short stacking energy: -312.918
Base-Backbone interact. energy: -0.421
local terms energy: -370.398972
where:
bonds (distance) C4'-P energy: -67.017
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -78.074
flat angles P-C4'-P energy: -48.450
tors. eta vs tors. theta energy: -115.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -983.764924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.764924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.764924 (E_RNA)
where:
Base-Base interactions energy: -663.814
where: short stacking energy: -273.554
Base-Backbone interact. energy: -0.998
local terms energy: -318.952501
where:
bonds (distance) C4'-P energy: -62.047
bonds (distance) P-C4' energy: -67.603
flat angles C4'-P-C4' energy: -67.385
flat angles P-C4'-P energy: -40.135
tors. eta vs tors. theta energy: -81.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -931.171582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.171582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.171582 (E_RNA)
where:
Base-Base interactions energy: -628.121
where: short stacking energy: -268.925
Base-Backbone interact. energy: 0.266
local terms energy: -303.316594
where:
bonds (distance) C4'-P energy: -61.434
bonds (distance) P-C4' energy: -57.707
flat angles C4'-P-C4' energy: -59.285
flat angles P-C4'-P energy: -38.819
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: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -869.666576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.666576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.666576 (E_RNA)
where:
Base-Base interactions energy: -554.207
where: short stacking energy: -233.125
Base-Backbone interact. energy: -0.657
local terms energy: -314.802086
where:
bonds (distance) C4'-P energy: -59.403
bonds (distance) P-C4' energy: -60.996
flat angles C4'-P-C4' energy: -59.889
flat angles P-C4'-P energy: -58.195
tors. eta vs tors. theta energy: -76.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -527.790472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.790472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.790472 (E_RNA)
where:
Base-Base interactions energy: -284.264
where: short stacking energy: -142.939
Base-Backbone interact. energy: -2.525
local terms energy: -241.001579
where:
bonds (distance) C4'-P energy: -62.374
bonds (distance) P-C4' energy: -66.350
flat angles C4'-P-C4' energy: -58.273
flat angles P-C4'-P energy: -32.269
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -375.076137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.076137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.076137 (E_RNA)
where:
Base-Base interactions energy: -159.315
where: short stacking energy: -83.782
Base-Backbone interact. energy: -0.821
local terms energy: -214.940320
where:
bonds (distance) C4'-P energy: -55.631
bonds (distance) P-C4' energy: -72.228
flat angles C4'-P-C4' energy: -59.539
flat angles P-C4'-P energy: -31.646
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: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -318.557943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.557943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.557943 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -76.867
Base-Backbone interact. energy: -0.793
local terms energy: -188.483413
where:
bonds (distance) C4'-P energy: -54.108
bonds (distance) P-C4' energy: -58.289
flat angles C4'-P-C4' energy: -55.092
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: 6.727
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: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -280.048737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.048737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.048737 (E_RNA)
where:
Base-Base interactions energy: -88.759
where: short stacking energy: -72.760
Base-Backbone interact. energy: -1.193
local terms energy: -191.490178
where:
bonds (distance) C4'-P energy: -39.377
bonds (distance) P-C4' energy: -71.630
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -36.185
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.393 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -261.432736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.432736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.432736 (E_RNA)
where:
Base-Base interactions energy: -77.589
where: short stacking energy: -62.504
Base-Backbone interact. energy: 0.819
local terms energy: -184.663036
where:
bonds (distance) C4'-P energy: -55.151
bonds (distance) P-C4' energy: -58.350
flat angles C4'-P-C4' energy: -50.925
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1121.693291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.693291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.693291 (E_RNA)
where:
Base-Base interactions energy: -776.584
where: short stacking energy: -293.276
Base-Backbone interact. energy: -2.446
local terms energy: -342.663580
where:
bonds (distance) C4'-P energy: -56.357
bonds (distance) P-C4' energy: -68.962
flat angles C4'-P-C4' energy: -62.290
flat angles P-C4'-P energy: -55.333
tors. eta vs tors. theta energy: -99.722
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: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1059.344056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.344056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.344056 (E_RNA)
where:
Base-Base interactions energy: -702.326
where: short stacking energy: -323.653
Base-Backbone interact. energy: -0.168
local terms energy: -356.849975
where:
bonds (distance) C4'-P energy: -62.434
bonds (distance) P-C4' energy: -62.464
flat angles C4'-P-C4' energy: -70.709
flat angles P-C4'-P energy: -52.267
tors. eta vs tors. theta energy: -108.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -978.064998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.064998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.064998 (E_RNA)
where:
Base-Base interactions energy: -666.602
where: short stacking energy: -280.857
Base-Backbone interact. energy: -0.918
local terms energy: -310.545545
where:
bonds (distance) C4'-P energy: -58.194
bonds (distance) P-C4' energy: -57.073
flat angles C4'-P-C4' energy: -66.039
flat angles P-C4'-P energy: -37.643
tors. eta vs tors. theta energy: -91.596
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: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -960.274147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.274147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.274147 (E_RNA)
where:
Base-Base interactions energy: -642.252
where: short stacking energy: -284.605
Base-Backbone interact. energy: 0.186
local terms energy: -318.208223
where:
bonds (distance) C4'-P energy: -57.256
bonds (distance) P-C4' energy: -56.122
flat angles C4'-P-C4' energy: -67.650
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -93.369
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: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -854.765926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.765926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.765926 (E_RNA)
where:
Base-Base interactions energy: -561.488
where: short stacking energy: -245.352
Base-Backbone interact. energy: -1.334
local terms energy: -291.943248
where:
bonds (distance) C4'-P energy: -61.153
bonds (distance) P-C4' energy: -60.472
flat angles C4'-P-C4' energy: -68.854
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -75.366
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: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -516.235624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.235624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.235624 (E_RNA)
where:
Base-Base interactions energy: -295.634
where: short stacking energy: -157.497
Base-Backbone interact. energy: 2.894
local terms energy: -223.496120
where:
bonds (distance) C4'-P energy: -64.950
bonds (distance) P-C4' energy: -58.370
flat angles C4'-P-C4' energy: -53.727
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -25.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -323.880202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.880202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.880202 (E_RNA)
where:
Base-Base interactions energy: -135.790
where: short stacking energy: -96.810
Base-Backbone interact. energy: 0.673
local terms energy: -188.763318
where:
bonds (distance) C4'-P energy: -55.072
bonds (distance) P-C4' energy: -60.236
flat angles C4'-P-C4' energy: -50.283
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: 5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -353.889274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.889274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.889274 (E_RNA)
where:
Base-Base interactions energy: -170.728
where: short stacking energy: -93.630
Base-Backbone interact. energy: -1.606
local terms energy: -181.554601
where:
bonds (distance) C4'-P energy: -42.361
bonds (distance) P-C4' energy: -71.751
flat angles C4'-P-C4' energy: -37.493
flat angles P-C4'-P energy: -31.237
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -289.573440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.573440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.573440 (E_RNA)
where:
Base-Base interactions energy: -105.548
where: short stacking energy: -96.436
Base-Backbone interact. energy: -1.652
local terms energy: -182.373486
where:
bonds (distance) C4'-P energy: -54.410
bonds (distance) P-C4' energy: -50.798
flat angles C4'-P-C4' energy: -51.186
flat angles P-C4'-P energy: -25.358
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -260.151886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.151886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.151886 (E_RNA)
where:
Base-Base interactions energy: -75.025
where: short stacking energy: -50.851
Base-Backbone interact. energy: -1.644
local terms energy: -183.482516
where:
bonds (distance) C4'-P energy: -59.524
bonds (distance) P-C4' energy: -51.816
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -26.194
tors. eta vs tors. theta energy: 13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1114.115148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.115148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.115148 (E_RNA)
where:
Base-Base interactions energy: -763.614
where: short stacking energy: -304.868
Base-Backbone interact. energy: -2.448
local terms energy: -348.053601
where:
bonds (distance) C4'-P energy: -63.814
bonds (distance) P-C4' energy: -64.760
flat angles C4'-P-C4' energy: -70.839
flat angles P-C4'-P energy: -48.011
tors. eta vs tors. theta energy: -100.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1033.017903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.017903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.017903 (E_RNA)
where:
Base-Base interactions energy: -682.698
where: short stacking energy: -327.533
Base-Backbone interact. energy: -0.614
local terms energy: -349.705640
where:
bonds (distance) C4'-P energy: -64.194
bonds (distance) P-C4' energy: -65.439
flat angles C4'-P-C4' energy: -66.916
flat angles P-C4'-P energy: -39.669
tors. eta vs tors. theta energy: -113.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -961.234630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.234630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.234630 (E_RNA)
where:
Base-Base interactions energy: -617.232
where: short stacking energy: -268.847
Base-Backbone interact. energy: -0.335
local terms energy: -343.667698
where:
bonds (distance) C4'-P energy: -53.759
bonds (distance) P-C4' energy: -71.111
flat angles C4'-P-C4' energy: -80.729
flat angles P-C4'-P energy: -50.204
tors. eta vs tors. theta energy: -87.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -946.522318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.522318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.522318 (E_RNA)
where:
Base-Base interactions energy: -622.408
where: short stacking energy: -277.199
Base-Backbone interact. energy: -0.502
local terms energy: -323.612464
where:
bonds (distance) C4'-P energy: -67.829
bonds (distance) P-C4' energy: -59.635
flat angles C4'-P-C4' energy: -72.585
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -80.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -863.236103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.236103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.236103 (E_RNA)
where:
Base-Base interactions energy: -579.965
where: short stacking energy: -249.428
Base-Backbone interact. energy: 0.295
local terms energy: -283.565924
where:
bonds (distance) C4'-P energy: -47.673
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -66.302
flat angles P-C4'-P energy: -44.821
tors. eta vs tors. theta energy: -70.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -533.188592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.188592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.188592 (E_RNA)
where:
Base-Base interactions energy: -295.967
where: short stacking energy: -119.573
Base-Backbone interact. energy: -2.673
local terms energy: -234.548612
where:
bonds (distance) C4'-P energy: -60.687
bonds (distance) P-C4' energy: -71.761
flat angles C4'-P-C4' energy: -48.141
flat angles P-C4'-P energy: -39.177
tors. eta vs tors. theta energy: -14.784
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: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -371.698517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.698517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.698517 (E_RNA)
where:
Base-Base interactions energy: -159.050
where: short stacking energy: -98.566
Base-Backbone interact. energy: 1.658
local terms energy: -214.306768
where:
bonds (distance) C4'-P energy: -55.995
bonds (distance) P-C4' energy: -58.840
flat angles C4'-P-C4' energy: -58.044
flat angles P-C4'-P energy: -34.582
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -294.854712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.854712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.854712 (E_RNA)
where:
Base-Base interactions energy: -105.125
where: short stacking energy: -60.515
Base-Backbone interact. energy: 4.783
local terms energy: -194.513033
where:
bonds (distance) C4'-P energy: -60.223
bonds (distance) P-C4' energy: -62.596
flat angles C4'-P-C4' energy: -54.601
flat angles P-C4'-P energy: -36.160
tors. eta vs tors. theta energy: 19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -306.947047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.947047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.947047 (E_RNA)
where:
Base-Base interactions energy: -120.764
where: short stacking energy: -68.719
Base-Backbone interact. energy: 3.190
local terms energy: -189.372410
where:
bonds (distance) C4'-P energy: -64.956
bonds (distance) P-C4' energy: -67.049
flat angles C4'-P-C4' energy: -48.923
flat angles P-C4'-P energy: -25.346
tors. eta vs tors. theta energy: 16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -270.329176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.329176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.329176 (E_RNA)
where:
Base-Base interactions energy: -100.908
where: short stacking energy: -93.995
Base-Backbone interact. energy: 0.383
local terms energy: -169.803523
where:
bonds (distance) C4'-P energy: -48.614
bonds (distance) P-C4' energy: -60.768
flat angles C4'-P-C4' energy: -41.356
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1124.312474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.312474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.312474 (E_RNA)
where:
Base-Base interactions energy: -771.427
where: short stacking energy: -296.188
Base-Backbone interact. energy: -0.884
local terms energy: -352.001717
where:
bonds (distance) C4'-P energy: -61.891
bonds (distance) P-C4' energy: -62.909
flat angles C4'-P-C4' energy: -77.003
flat angles P-C4'-P energy: -49.818
tors. eta vs tors. theta energy: -100.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1036.339994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.339994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.339994 (E_RNA)
where:
Base-Base interactions energy: -682.951
where: short stacking energy: -299.358
Base-Backbone interact. energy: -0.695
local terms energy: -352.694037
where:
bonds (distance) C4'-P energy: -66.263
bonds (distance) P-C4' energy: -67.845
flat angles C4'-P-C4' energy: -74.157
flat angles P-C4'-P energy: -38.448
tors. eta vs tors. theta energy: -105.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -994.656087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.656087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.656087 (E_RNA)
where:
Base-Base interactions energy: -672.860
where: short stacking energy: -275.546
Base-Backbone interact. energy: -1.155
local terms energy: -320.640653
where:
bonds (distance) C4'-P energy: -54.615
bonds (distance) P-C4' energy: -69.140
flat angles C4'-P-C4' energy: -66.120
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -86.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -961.746458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.746458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.746458 (E_RNA)
where:
Base-Base interactions energy: -642.450
where: short stacking energy: -285.511
Base-Backbone interact. energy: -1.226
local terms energy: -318.070277
where:
bonds (distance) C4'-P energy: -57.100
bonds (distance) P-C4' energy: -60.730
flat angles C4'-P-C4' energy: -70.877
flat angles P-C4'-P energy: -35.284
tors. eta vs tors. theta energy: -94.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -883.144302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.144302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.144302 (E_RNA)
where:
Base-Base interactions energy: -587.962
where: short stacking energy: -263.353
Base-Backbone interact. energy: 2.738
local terms energy: -297.919935
where:
bonds (distance) C4'-P energy: -62.407
bonds (distance) P-C4' energy: -66.065
flat angles C4'-P-C4' energy: -63.541
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -71.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -504.989839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.989839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.989839 (E_RNA)
where:
Base-Base interactions energy: -282.773
where: short stacking energy: -138.634
Base-Backbone interact. energy: 3.447
local terms energy: -225.663463
where:
bonds (distance) C4'-P energy: -56.051
bonds (distance) P-C4' energy: -59.933
flat angles C4'-P-C4' energy: -65.601
flat angles P-C4'-P energy: -27.874
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -364.979204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.979204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.979204 (E_RNA)
where:
Base-Base interactions energy: -164.659
where: short stacking energy: -100.382
Base-Backbone interact. energy: -1.256
local terms energy: -199.064315
where:
bonds (distance) C4'-P energy: -63.397
bonds (distance) P-C4' energy: -59.563
flat angles C4'-P-C4' energy: -50.744
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: 0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -313.648241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.648241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.648241 (E_RNA)
where:
Base-Base interactions energy: -109.214
where: short stacking energy: -84.049
Base-Backbone interact. energy: -1.330
local terms energy: -203.104659
where:
bonds (distance) C4'-P energy: -45.961
bonds (distance) P-C4' energy: -66.083
flat angles C4'-P-C4' energy: -58.978
flat angles P-C4'-P energy: -38.984
tors. eta vs tors. theta energy: 6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -281.903473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.903473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.903473 (E_RNA)
where:
Base-Base interactions energy: -75.382
where: short stacking energy: -52.299
Base-Backbone interact. energy: -0.718
local terms energy: -205.803612
where:
bonds (distance) C4'-P energy: -58.163
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -57.331
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: 13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -262.389971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.389971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.389971 (E_RNA)
where:
Base-Base interactions energy: -82.592
where: short stacking energy: -60.391
Base-Backbone interact. energy: -1.083
local terms energy: -178.715404
where:
bonds (distance) C4'-P energy: -41.488
bonds (distance) P-C4' energy: -58.843
flat angles C4'-P-C4' energy: -60.715
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: 6.906
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: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1120.606869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.606869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.606869 (E_RNA)
where:
Base-Base interactions energy: -767.216
where: short stacking energy: -307.545
Base-Backbone interact. energy: -3.763
local terms energy: -349.628490
where:
bonds (distance) C4'-P energy: -63.561
bonds (distance) P-C4' energy: -70.283
flat angles C4'-P-C4' energy: -67.773
flat angles P-C4'-P energy: -45.453
tors. eta vs tors. theta energy: -102.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1030.919710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.919710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.919710 (E_RNA)
where:
Base-Base interactions energy: -679.820
where: short stacking energy: -298.598
Base-Backbone interact. energy: -0.534
local terms energy: -350.565508
where:
bonds (distance) C4'-P energy: -59.796
bonds (distance) P-C4' energy: -70.927
flat angles C4'-P-C4' energy: -74.968
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -103.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1002.975309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.975309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.975309 (E_RNA)
where:
Base-Base interactions energy: -651.675
where: short stacking energy: -267.838
Base-Backbone interact. energy: 1.256
local terms energy: -352.556172
where:
bonds (distance) C4'-P energy: -71.543
bonds (distance) P-C4' energy: -73.943
flat angles C4'-P-C4' energy: -76.123
flat angles P-C4'-P energy: -49.721
tors. eta vs tors. theta energy: -81.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -955.058900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.058900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.058900 (E_RNA)
where:
Base-Base interactions energy: -637.758
where: short stacking energy: -266.771
Base-Backbone interact. energy: 0.506
local terms energy: -317.806364
where:
bonds (distance) C4'-P energy: -59.961
bonds (distance) P-C4' energy: -45.378
flat angles C4'-P-C4' energy: -73.854
flat angles P-C4'-P energy: -48.160
tors. eta vs tors. theta energy: -90.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -871.899013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.899013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.899013 (E_RNA)
where:
Base-Base interactions energy: -571.397
where: short stacking energy: -255.134
Base-Backbone interact. energy: -0.953
local terms energy: -299.549121
where:
bonds (distance) C4'-P energy: -59.881
bonds (distance) P-C4' energy: -62.011
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -33.753
tors. eta vs tors. theta energy: -78.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -565.977213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.977213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.977213 (E_RNA)
where:
Base-Base interactions energy: -326.848
where: short stacking energy: -146.543
Base-Backbone interact. energy: 0.654
local terms energy: -239.783862
where:
bonds (distance) C4'-P energy: -56.458
bonds (distance) P-C4' energy: -69.959
flat angles C4'-P-C4' energy: -43.359
flat angles P-C4'-P energy: -43.101
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -340.695126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.695126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.695126 (E_RNA)
where:
Base-Base interactions energy: -147.467
where: short stacking energy: -92.828
Base-Backbone interact. energy: 3.161
local terms energy: -196.389186
where:
bonds (distance) C4'-P energy: -62.466
bonds (distance) P-C4' energy: -63.144
flat angles C4'-P-C4' energy: -59.698
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: 0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -315.140121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.140121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.140121 (E_RNA)
where:
Base-Base interactions energy: -124.131
where: short stacking energy: -72.327
Base-Backbone interact. energy: 1.158
local terms energy: -192.167934
where:
bonds (distance) C4'-P energy: -54.173
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: 2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -275.532971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.532971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.532971 (E_RNA)
where:
Base-Base interactions energy: -90.032
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.763
local terms energy: -184.738001
where:
bonds (distance) C4'-P energy: -44.131
bonds (distance) P-C4' energy: -62.328
flat angles C4'-P-C4' energy: -46.110
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: 3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -255.308450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.308450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.308450 (E_RNA)
where:
Base-Base interactions energy: -75.983
where: short stacking energy: -67.987
Base-Backbone interact. energy: 1.675
local terms energy: -181.001052
where:
bonds (distance) C4'-P energy: -56.719
bonds (distance) P-C4' energy: -57.226
flat angles C4'-P-C4' energy: -58.326
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: 12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1121.566673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.566673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.566673 (E_RNA)
where:
Base-Base interactions energy: -788.790
where: short stacking energy: -307.521
Base-Backbone interact. energy: -2.664
local terms energy: -330.113148
where:
bonds (distance) C4'-P energy: -66.880
bonds (distance) P-C4' energy: -56.019
flat angles C4'-P-C4' energy: -59.492
flat angles P-C4'-P energy: -46.532
tors. eta vs tors. theta energy: -101.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1040.149227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.149227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.149227 (E_RNA)
where:
Base-Base interactions energy: -694.615
where: short stacking energy: -304.612
Base-Backbone interact. energy: -0.087
local terms energy: -345.447192
where:
bonds (distance) C4'-P energy: -62.613
bonds (distance) P-C4' energy: -67.585
flat angles C4'-P-C4' energy: -70.528
flat angles P-C4'-P energy: -46.484
tors. eta vs tors. theta energy: -98.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -988.472623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.472623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.472623 (E_RNA)
where:
Base-Base interactions energy: -660.669
where: short stacking energy: -281.899
Base-Backbone interact. energy: 1.057
local terms energy: -328.860419
where:
bonds (distance) C4'-P energy: -60.381
bonds (distance) P-C4' energy: -72.633
flat angles C4'-P-C4' energy: -67.245
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -90.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -953.273339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.273339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.273339 (E_RNA)
where:
Base-Base interactions energy: -616.499
where: short stacking energy: -271.057
Base-Backbone interact. energy: 0.499
local terms energy: -337.273855
where:
bonds (distance) C4'-P energy: -60.422
bonds (distance) P-C4' energy: -61.588
flat angles C4'-P-C4' energy: -72.069
flat angles P-C4'-P energy: -51.169
tors. eta vs tors. theta energy: -92.026
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: 458
Temperature: 1.100000
Total energy: -862.334349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.334349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.334349 (E_RNA)
where:
Base-Base interactions energy: -553.341
where: short stacking energy: -235.183
Base-Backbone interact. energy: 4.304
local terms energy: -313.297166
where:
bonds (distance) C4'-P energy: -56.040
bonds (distance) P-C4' energy: -59.294
flat angles C4'-P-C4' energy: -76.755
flat angles P-C4'-P energy: -42.732
tors. eta vs tors. theta energy: -78.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -534.695391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.695391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.695391 (E_RNA)
where:
Base-Base interactions energy: -307.482
where: short stacking energy: -140.380
Base-Backbone interact. energy: -3.896
local terms energy: -223.317168
where:
bonds (distance) C4'-P energy: -48.749
bonds (distance) P-C4' energy: -66.532
flat angles C4'-P-C4' energy: -53.776
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -291.144359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.144359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.144359 (E_RNA)
where:
Base-Base interactions energy: -102.696
where: short stacking energy: -61.442
Base-Backbone interact. energy: -1.153
local terms energy: -187.294530
where:
bonds (distance) C4'-P energy: -55.339
bonds (distance) P-C4' energy: -63.807
flat angles C4'-P-C4' energy: -41.745
flat angles P-C4'-P energy: -35.333
tors. eta vs tors. theta energy: 8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -318.662857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.662857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.662857 (E_RNA)
where:
Base-Base interactions energy: -124.342
where: short stacking energy: -80.135
Base-Backbone interact. energy: -2.386
local terms energy: -191.934507
where:
bonds (distance) C4'-P energy: -55.774
bonds (distance) P-C4' energy: -56.347
flat angles C4'-P-C4' energy: -44.880
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -285.716730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.716730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.716730 (E_RNA)
where:
Base-Base interactions energy: -95.804
where: short stacking energy: -71.010
Base-Backbone interact. energy: -2.354
local terms energy: -187.559120
where:
bonds (distance) C4'-P energy: -62.195
bonds (distance) P-C4' energy: -62.838
flat angles C4'-P-C4' energy: -51.883
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: 9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -249.402479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.402479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.402479 (E_RNA)
where:
Base-Base interactions energy: -79.152
where: short stacking energy: -59.378
Base-Backbone interact. energy: -1.587
local terms energy: -168.663594
where:
bonds (distance) C4'-P energy: -51.535
bonds (distance) P-C4' energy: -55.536
flat angles C4'-P-C4' energy: -41.656
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: 6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1115.774827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.774827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.774827 (E_RNA)
where:
Base-Base interactions energy: -775.321
where: short stacking energy: -298.362
Base-Backbone interact. energy: -2.325
local terms energy: -338.128525
where:
bonds (distance) C4'-P energy: -64.328
bonds (distance) P-C4' energy: -56.866
flat angles C4'-P-C4' energy: -74.660
flat angles P-C4'-P energy: -50.131
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: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1029.819245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.819245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.819245 (E_RNA)
where:
Base-Base interactions energy: -667.875
where: short stacking energy: -274.546
Base-Backbone interact. energy: -1.097
local terms energy: -360.846562
where:
bonds (distance) C4'-P energy: -72.630
bonds (distance) P-C4' energy: -67.465
flat angles C4'-P-C4' energy: -72.926
flat angles P-C4'-P energy: -48.373
tors. eta vs tors. theta energy: -99.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -944.981875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.981875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.981875 (E_RNA)
where:
Base-Base interactions energy: -624.763
where: short stacking energy: -259.387
Base-Backbone interact. energy: -2.126
local terms energy: -318.092732
where:
bonds (distance) C4'-P energy: -56.328
bonds (distance) P-C4' energy: -66.966
flat angles C4'-P-C4' energy: -69.846
flat angles P-C4'-P energy: -43.099
tors. eta vs tors. theta energy: -81.855
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: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -953.130172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.130172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.130172 (E_RNA)
where:
Base-Base interactions energy: -630.859
where: short stacking energy: -266.636
Base-Backbone interact. energy: -1.368
local terms energy: -320.903273
where:
bonds (distance) C4'-P energy: -67.388
bonds (distance) P-C4' energy: -66.098
flat angles C4'-P-C4' energy: -63.426
flat angles P-C4'-P energy: -35.616
tors. eta vs tors. theta energy: -88.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -860.348362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.348362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.348362 (E_RNA)
where:
Base-Base interactions energy: -561.028
where: short stacking energy: -243.879
Base-Backbone interact. energy: 3.050
local terms energy: -302.370654
where:
bonds (distance) C4'-P energy: -64.679
bonds (distance) P-C4' energy: -59.427
flat angles C4'-P-C4' energy: -61.894
flat angles P-C4'-P energy: -50.579
tors. eta vs tors. theta energy: -65.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -550.113865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.113865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.113865 (E_RNA)
where:
Base-Base interactions energy: -324.409
where: short stacking energy: -157.173
Base-Backbone interact. energy: -0.920
local terms energy: -224.785349
where:
bonds (distance) C4'-P energy: -49.054
bonds (distance) P-C4' energy: -54.758
flat angles C4'-P-C4' energy: -62.017
flat angles P-C4'-P energy: -28.662
tors. eta vs tors. theta energy: -30.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -331.814230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.814230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.814230 (E_RNA)
where:
Base-Base interactions energy: -127.844
where: short stacking energy: -88.347
Base-Backbone interact. energy: 1.461
local terms energy: -205.431354
where:
bonds (distance) C4'-P energy: -62.211
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -60.635
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -309.532689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.532689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.532689 (E_RNA)
where:
Base-Base interactions energy: -106.055
where: short stacking energy: -95.118
Base-Backbone interact. energy: -1.409
local terms energy: -202.068600
where:
bonds (distance) C4'-P energy: -59.251
bonds (distance) P-C4' energy: -52.235
flat angles C4'-P-C4' energy: -54.159
flat angles P-C4'-P energy: -31.445
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -303.204760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.204760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.204760 (E_RNA)
where:
Base-Base interactions energy: -104.778
where: short stacking energy: -79.923
Base-Backbone interact. energy: 0.572
local terms energy: -198.999454
where:
bonds (distance) C4'-P energy: -56.256
bonds (distance) P-C4' energy: -55.047
flat angles C4'-P-C4' energy: -59.965
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: 5.027
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: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -257.207742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.207742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.207742 (E_RNA)
where:
Base-Base interactions energy: -91.265
where: short stacking energy: -65.118
Base-Backbone interact. energy: 4.451
local terms energy: -170.393186
where:
bonds (distance) C4'-P energy: -52.355
bonds (distance) P-C4' energy: -63.181
flat angles C4'-P-C4' energy: -47.063
flat angles P-C4'-P energy: -29.657
tors. eta vs tors. theta energy: 21.862
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: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1140.518389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.518389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.518389 (E_RNA)
where:
Base-Base interactions energy: -785.143
where: short stacking energy: -308.519
Base-Backbone interact. energy: -1.354
local terms energy: -354.021508
where:
bonds (distance) C4'-P energy: -77.837
bonds (distance) P-C4' energy: -69.167
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -46.574
tors. eta vs tors. theta energy: -98.806
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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1008.382581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.382581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.382581 (E_RNA)
where:
Base-Base interactions energy: -660.619
where: short stacking energy: -294.406
Base-Backbone interact. energy: -1.215
local terms energy: -346.547754
where:
bonds (distance) C4'-P energy: -58.167
bonds (distance) P-C4' energy: -64.953
flat angles C4'-P-C4' energy: -68.670
flat angles P-C4'-P energy: -53.656
tors. eta vs tors. theta energy: -101.102
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: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -967.469413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.469413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.469413 (E_RNA)
where:
Base-Base interactions energy: -646.576
where: short stacking energy: -274.249
Base-Backbone interact. energy: -0.484
local terms energy: -320.409227
where:
bonds (distance) C4'-P energy: -57.612
bonds (distance) P-C4' energy: -67.788
flat angles C4'-P-C4' energy: -71.835
flat angles P-C4'-P energy: -46.435
tors. eta vs tors. theta energy: -76.739
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: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -944.328907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.328907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.328907 (E_RNA)
where:
Base-Base interactions energy: -622.251
where: short stacking energy: -280.127
Base-Backbone interact. energy: -0.427
local terms energy: -321.650719
where:
bonds (distance) C4'-P energy: -67.646
bonds (distance) P-C4' energy: -52.807
flat angles C4'-P-C4' energy: -72.320
flat angles P-C4'-P energy: -42.679
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: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -875.564541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.564541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.564541 (E_RNA)
where:
Base-Base interactions energy: -582.341
where: short stacking energy: -252.271
Base-Backbone interact. energy: -1.377
local terms energy: -291.846790
where:
bonds (distance) C4'-P energy: -46.952
bonds (distance) P-C4' energy: -69.385
flat angles C4'-P-C4' energy: -64.246
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -74.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -544.797929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.797929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.797929 (E_RNA)
where:
Base-Base interactions energy: -312.938
where: short stacking energy: -147.638
Base-Backbone interact. energy: -1.562
local terms energy: -230.297199
where:
bonds (distance) C4'-P energy: -65.137
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -59.460
flat angles P-C4'-P energy: -25.233
tors. eta vs tors. theta energy: -27.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -317.357188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.357188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.357188 (E_RNA)
where:
Base-Base interactions energy: -112.573
where: short stacking energy: -63.256
Base-Backbone interact. energy: -0.210
local terms energy: -204.574046
where:
bonds (distance) C4'-P energy: -60.567
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -60.930
flat angles P-C4'-P energy: -23.976
tors. eta vs tors. theta energy: 10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -344.931982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.931982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.931982 (E_RNA)
where:
Base-Base interactions energy: -171.098
where: short stacking energy: -82.807
Base-Backbone interact. energy: -1.025
local terms energy: -172.809321
where:
bonds (distance) C4'-P energy: -59.948
bonds (distance) P-C4' energy: -50.680
flat angles C4'-P-C4' energy: -55.842
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: 6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -282.696572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.696572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.696572 (E_RNA)
where:
Base-Base interactions energy: -111.675
where: short stacking energy: -59.787
Base-Backbone interact. energy: 0.767
local terms energy: -171.788868
where:
bonds (distance) C4'-P energy: -55.495
bonds (distance) P-C4' energy: -51.974
flat angles C4'-P-C4' energy: -43.919
flat angles P-C4'-P energy: -33.202
tors. eta vs tors. theta energy: 12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -262.001477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.001477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.001477 (E_RNA)
where:
Base-Base interactions energy: -84.466
where: short stacking energy: -57.802
Base-Backbone interact. energy: -2.067
local terms energy: -175.467856
where:
bonds (distance) C4'-P energy: -44.526
bonds (distance) P-C4' energy: -60.743
flat angles C4'-P-C4' energy: -41.227
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: 5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1130.649916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.649916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.649916 (E_RNA)
where:
Base-Base interactions energy: -784.180
where: short stacking energy: -286.880
Base-Backbone interact. energy: -4.003
local terms energy: -342.467737
where:
bonds (distance) C4'-P energy: -62.101
bonds (distance) P-C4' energy: -64.313
flat angles C4'-P-C4' energy: -75.306
flat angles P-C4'-P energy: -51.841
tors. eta vs tors. theta energy: -88.908
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: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1042.162106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.162106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.162106 (E_RNA)
where:
Base-Base interactions energy: -687.145
where: short stacking energy: -307.397
Base-Backbone interact. energy: -0.709
local terms energy: -354.308248
where:
bonds (distance) C4'-P energy: -56.140
bonds (distance) P-C4' energy: -68.786
flat angles C4'-P-C4' energy: -73.422
flat angles P-C4'-P energy: -51.323
tors. eta vs tors. theta energy: -104.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -976.186347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.186347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.186347 (E_RNA)
where:
Base-Base interactions energy: -653.730
where: short stacking energy: -270.287
Base-Backbone interact. energy: 1.758
local terms energy: -324.213927
where:
bonds (distance) C4'-P energy: -54.777
bonds (distance) P-C4' energy: -58.338
flat angles C4'-P-C4' energy: -70.923
flat angles P-C4'-P energy: -45.873
tors. eta vs tors. theta energy: -94.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -933.875911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.875911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.875911 (E_RNA)
where:
Base-Base interactions energy: -604.074
where: short stacking energy: -260.929
Base-Backbone interact. energy: -0.628
local terms energy: -329.174109
where:
bonds (distance) C4'-P energy: -59.789
bonds (distance) P-C4' energy: -55.990
flat angles C4'-P-C4' energy: -75.456
flat angles P-C4'-P energy: -47.945
tors. eta vs tors. theta energy: -89.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -893.422794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.422794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.422794 (E_RNA)
where:
Base-Base interactions energy: -581.878
where: short stacking energy: -257.562
Base-Backbone interact. energy: -0.768
local terms energy: -310.776828
where:
bonds (distance) C4'-P energy: -63.034
bonds (distance) P-C4' energy: -66.595
flat angles C4'-P-C4' energy: -66.125
flat angles P-C4'-P energy: -47.488
tors. eta vs tors. theta energy: -67.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -589.793984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.793984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.793984 (E_RNA)
where:
Base-Base interactions energy: -342.939
where: short stacking energy: -154.461
Base-Backbone interact. energy: 0.819
local terms energy: -247.674314
where:
bonds (distance) C4'-P energy: -55.792
bonds (distance) P-C4' energy: -57.732
flat angles C4'-P-C4' energy: -57.638
flat angles P-C4'-P energy: -38.483
tors. eta vs tors. theta energy: -38.028
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: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -370.604574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.604574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.604574 (E_RNA)
where:
Base-Base interactions energy: -171.010
where: short stacking energy: -101.834
Base-Backbone interact. energy: -1.095
local terms energy: -198.499949
where:
bonds (distance) C4'-P energy: -46.883
bonds (distance) P-C4' energy: -59.964
flat angles C4'-P-C4' energy: -47.538
flat angles P-C4'-P energy: -33.221
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -370.728655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.728655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.728655 (E_RNA)
where:
Base-Base interactions energy: -168.136
where: short stacking energy: -83.549
Base-Backbone interact. energy: -0.097
local terms energy: -202.495196
where:
bonds (distance) C4'-P energy: -50.366
bonds (distance) P-C4' energy: -65.978
flat angles C4'-P-C4' energy: -50.238
flat angles P-C4'-P energy: -33.373
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -293.357465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.357465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.357465 (E_RNA)
where:
Base-Base interactions energy: -101.854
where: short stacking energy: -74.356
Base-Backbone interact. energy: 4.023
local terms energy: -195.526171
where:
bonds (distance) C4'-P energy: -59.537
bonds (distance) P-C4' energy: -57.439
flat angles C4'-P-C4' energy: -47.718
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -246.804381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.804381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.804381 (E_RNA)
where:
Base-Base interactions energy: -67.777
where: short stacking energy: -55.063
Base-Backbone interact. energy: -1.032
local terms energy: -177.995414
where:
bonds (distance) C4'-P energy: -57.346
bonds (distance) P-C4' energy: -61.200
flat angles C4'-P-C4' energy: -48.860
flat angles P-C4'-P energy: -30.639
tors. eta vs tors. theta energy: 20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1115.024076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.024076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.024076 (E_RNA)
where:
Base-Base interactions energy: -768.206
where: short stacking energy: -288.750
Base-Backbone interact. energy: -3.154
local terms energy: -343.664397
where:
bonds (distance) C4'-P energy: -65.892
bonds (distance) P-C4' energy: -67.526
flat angles C4'-P-C4' energy: -71.685
flat angles P-C4'-P energy: -40.134
tors. eta vs tors. theta energy: -98.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1043.218407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.218407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.218407 (E_RNA)
where:
Base-Base interactions energy: -683.155
where: short stacking energy: -306.331
Base-Backbone interact. energy: -0.889
local terms energy: -359.174198
where:
bonds (distance) C4'-P energy: -59.499
bonds (distance) P-C4' energy: -72.467
flat angles C4'-P-C4' energy: -80.754
flat angles P-C4'-P energy: -45.189
tors. eta vs tors. theta energy: -101.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -988.678453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.678453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.678453 (E_RNA)
where:
Base-Base interactions energy: -652.293
where: short stacking energy: -289.718
Base-Backbone interact. energy: -1.206
local terms energy: -335.179424
where:
bonds (distance) C4'-P energy: -60.503
bonds (distance) P-C4' energy: -65.375
flat angles C4'-P-C4' energy: -69.816
flat angles P-C4'-P energy: -43.955
tors. eta vs tors. theta energy: -95.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -986.767547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.767547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.767547 (E_RNA)
where:
Base-Base interactions energy: -633.166
where: short stacking energy: -273.592
Base-Backbone interact. energy: -0.537
local terms energy: -353.064525
where:
bonds (distance) C4'-P energy: -65.577
bonds (distance) P-C4' energy: -74.462
flat angles C4'-P-C4' energy: -72.079
flat angles P-C4'-P energy: -55.339
tors. eta vs tors. theta energy: -85.608
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: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -846.666121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.666121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.666121 (E_RNA)
where:
Base-Base interactions energy: -557.016
where: short stacking energy: -238.550
Base-Backbone interact. energy: -1.879
local terms energy: -287.771095
where:
bonds (distance) C4'-P energy: -55.740
bonds (distance) P-C4' energy: -51.903
flat angles C4'-P-C4' energy: -72.408
flat angles P-C4'-P energy: -43.126
tors. eta vs tors. theta energy: -64.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -611.165150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.165150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.165150 (E_RNA)
where:
Base-Base interactions energy: -353.689
where: short stacking energy: -159.330
Base-Backbone interact. energy: -2.672
local terms energy: -254.804088
where:
bonds (distance) C4'-P energy: -58.093
bonds (distance) P-C4' energy: -56.862
flat angles C4'-P-C4' energy: -59.876
flat angles P-C4'-P energy: -42.825
tors. eta vs tors. theta energy: -37.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -339.370500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.370500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.370500 (E_RNA)
where:
Base-Base interactions energy: -132.196
where: short stacking energy: -96.205
Base-Backbone interact. energy: 0.177
local terms energy: -207.352104
where:
bonds (distance) C4'-P energy: -53.629
bonds (distance) P-C4' energy: -72.796
flat angles C4'-P-C4' energy: -40.757
flat angles P-C4'-P energy: -32.112
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -361.031950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.031950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.031950 (E_RNA)
where:
Base-Base interactions energy: -170.460
where: short stacking energy: -103.548
Base-Backbone interact. energy: 0.409
local terms energy: -190.980690
where:
bonds (distance) C4'-P energy: -65.038
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -47.371
flat angles P-C4'-P energy: -28.674
tors. eta vs tors. theta energy: 7.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -271.162847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.162847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.162847 (E_RNA)
where:
Base-Base interactions energy: -97.177
where: short stacking energy: -66.138
Base-Backbone interact. energy: 0.067
local terms energy: -174.053557
where:
bonds (distance) C4'-P energy: -61.580
bonds (distance) P-C4' energy: -62.404
flat angles C4'-P-C4' energy: -39.357
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: 11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -243.341825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.341825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.341825 (E_RNA)
where:
Base-Base interactions energy: -74.322
where: short stacking energy: -65.711
Base-Backbone interact. energy: 1.078
local terms energy: -170.097272
where:
bonds (distance) C4'-P energy: -53.538
bonds (distance) P-C4' energy: -63.961
flat angles C4'-P-C4' energy: -36.261
flat angles P-C4'-P energy: -24.213
tors. eta vs tors. theta energy: 7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1111.001762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.001762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.001762 (E_RNA)
where:
Base-Base interactions energy: -747.502
where: short stacking energy: -293.158
Base-Backbone interact. energy: -0.516
local terms energy: -362.982980
where:
bonds (distance) C4'-P energy: -73.603
bonds (distance) P-C4' energy: -66.534
flat angles C4'-P-C4' energy: -78.794
flat angles P-C4'-P energy: -45.791
tors. eta vs tors. theta energy: -98.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1046.457745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.457745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.457745 (E_RNA)
where:
Base-Base interactions energy: -680.545
where: short stacking energy: -307.841
Base-Backbone interact. energy: 0.556
local terms energy: -366.469093
where:
bonds (distance) C4'-P energy: -65.627
bonds (distance) P-C4' energy: -74.877
flat angles C4'-P-C4' energy: -67.949
flat angles P-C4'-P energy: -47.747
tors. eta vs tors. theta energy: -110.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -980.212863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.212863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.212863 (E_RNA)
where:
Base-Base interactions energy: -633.397
where: short stacking energy: -286.367
Base-Backbone interact. energy: -0.519
local terms energy: -346.296308
where:
bonds (distance) C4'-P energy: -60.087
bonds (distance) P-C4' energy: -63.338
flat angles C4'-P-C4' energy: -71.632
flat angles P-C4'-P energy: -48.385
tors. eta vs tors. theta energy: -102.854
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: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -942.628970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.628970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.628970 (E_RNA)
where:
Base-Base interactions energy: -637.061
where: short stacking energy: -255.014
Base-Backbone interact. energy: -1.606
local terms energy: -303.962151
where:
bonds (distance) C4'-P energy: -50.692
bonds (distance) P-C4' energy: -58.930
flat angles C4'-P-C4' energy: -59.849
flat angles P-C4'-P energy: -48.303
tors. eta vs tors. theta energy: -86.188
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: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -811.345832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.345832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.345832 (E_RNA)
where:
Base-Base interactions energy: -506.771
where: short stacking energy: -220.516
Base-Backbone interact. energy: -0.788
local terms energy: -303.787151
where:
bonds (distance) C4'-P energy: -59.858
bonds (distance) P-C4' energy: -55.795
flat angles C4'-P-C4' energy: -73.608
flat angles P-C4'-P energy: -50.636
tors. eta vs tors. theta energy: -63.889
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: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -665.944538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.944538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.944538 (E_RNA)
where:
Base-Base interactions energy: -406.147
where: short stacking energy: -186.966
Base-Backbone interact. energy: -1.400
local terms energy: -258.397744
where:
bonds (distance) C4'-P energy: -50.068
bonds (distance) P-C4' energy: -59.634
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -40.203
tors. eta vs tors. theta energy: -47.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -353.201753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.201753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.201753 (E_RNA)
where:
Base-Base interactions energy: -144.217
where: short stacking energy: -97.091
Base-Backbone interact. energy: -2.265
local terms energy: -206.720043
where:
bonds (distance) C4'-P energy: -51.803
bonds (distance) P-C4' energy: -68.395
flat angles C4'-P-C4' energy: -48.362
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -5.710
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: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -293.142464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.142464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.142464 (E_RNA)
where:
Base-Base interactions energy: -107.475
where: short stacking energy: -73.090
Base-Backbone interact. energy: -1.243
local terms energy: -184.424977
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -48.544
flat angles C4'-P-C4' energy: -47.316
flat angles P-C4'-P energy: -42.828
tors. eta vs tors. theta energy: 4.095
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: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -326.107577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.107577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.107577 (E_RNA)
where:
Base-Base interactions energy: -140.448
where: short stacking energy: -63.971
Base-Backbone interact. energy: 4.615
local terms energy: -190.274561
where:
bonds (distance) C4'-P energy: -58.311
bonds (distance) P-C4' energy: -59.386
flat angles C4'-P-C4' energy: -54.807
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: 5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -266.988024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.988024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.988024 (E_RNA)
where:
Base-Base interactions energy: -79.516
where: short stacking energy: -62.889
Base-Backbone interact. energy: 2.621
local terms energy: -190.093126
where:
bonds (distance) C4'-P energy: -47.426
bonds (distance) P-C4' energy: -61.801
flat angles C4'-P-C4' energy: -49.448
flat angles P-C4'-P energy: -37.053
tors. eta vs tors. theta energy: 5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1097.213667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.213667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.213667 (E_RNA)
where:
Base-Base interactions energy: -751.628
where: short stacking energy: -297.136
Base-Backbone interact. energy: -2.390
local terms energy: -343.195532
where:
bonds (distance) C4'-P energy: -65.904
bonds (distance) P-C4' energy: -63.881
flat angles C4'-P-C4' energy: -70.816
flat angles P-C4'-P energy: -41.443
tors. eta vs tors. theta energy: -101.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1038.509888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.509888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.509888 (E_RNA)
where:
Base-Base interactions energy: -681.425
where: short stacking energy: -305.181
Base-Backbone interact. energy: -0.441
local terms energy: -356.643948
where:
bonds (distance) C4'-P energy: -66.332
bonds (distance) P-C4' energy: -68.385
flat angles C4'-P-C4' energy: -81.219
flat angles P-C4'-P energy: -48.238
tors. eta vs tors. theta energy: -92.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -991.224788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.224788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.224788 (E_RNA)
where:
Base-Base interactions energy: -646.151
where: short stacking energy: -289.658
Base-Backbone interact. energy: -1.225
local terms energy: -343.848319
where:
bonds (distance) C4'-P energy: -61.304
bonds (distance) P-C4' energy: -74.294
flat angles C4'-P-C4' energy: -66.754
flat angles P-C4'-P energy: -44.002
tors. eta vs tors. theta energy: -97.494
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: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -927.518399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.518399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.518399 (E_RNA)
where:
Base-Base interactions energy: -617.064
where: short stacking energy: -254.273
Base-Backbone interact. energy: 2.457
local terms energy: -312.911344
where:
bonds (distance) C4'-P energy: -59.110
bonds (distance) P-C4' energy: -63.607
flat angles C4'-P-C4' energy: -63.751
flat angles P-C4'-P energy: -51.595
tors. eta vs tors. theta energy: -74.849
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: 464
Temperature: 1.100000
Total energy: -823.841537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.841537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.841537 (E_RNA)
where:
Base-Base interactions energy: -551.245
where: short stacking energy: -224.372
Base-Backbone interact. energy: 2.420
local terms energy: -275.016505
where:
bonds (distance) C4'-P energy: -64.257
bonds (distance) P-C4' energy: -57.697
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -37.876
tors. eta vs tors. theta energy: -58.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -641.590244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.590244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.590244 (E_RNA)
where:
Base-Base interactions energy: -358.878
where: short stacking energy: -165.286
Base-Backbone interact. energy: -0.666
local terms energy: -282.046540
where:
bonds (distance) C4'-P energy: -60.082
bonds (distance) P-C4' energy: -71.959
flat angles C4'-P-C4' energy: -68.079
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -42.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -370.581291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.581291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.581291 (E_RNA)
where:
Base-Base interactions energy: -176.267
where: short stacking energy: -102.053
Base-Backbone interact. energy: -0.661
local terms energy: -193.653944
where:
bonds (distance) C4'-P energy: -59.502
bonds (distance) P-C4' energy: -55.026
flat angles C4'-P-C4' energy: -51.108
flat angles P-C4'-P energy: -33.185
tors. eta vs tors. theta energy: 5.168
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: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -312.217047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.217047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.217047 (E_RNA)
where:
Base-Base interactions energy: -127.702
where: short stacking energy: -90.782
Base-Backbone interact. energy: -0.661
local terms energy: -183.854549
where:
bonds (distance) C4'-P energy: -50.922
bonds (distance) P-C4' energy: -53.578
flat angles C4'-P-C4' energy: -54.539
flat angles P-C4'-P energy: -29.266
tors. eta vs tors. theta energy: 4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -279.122762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.122762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.122762 (E_RNA)
where:
Base-Base interactions energy: -92.968
where: short stacking energy: -84.047
Base-Backbone interact. energy: 1.504
local terms energy: -187.659496
where:
bonds (distance) C4'-P energy: -63.051
bonds (distance) P-C4' energy: -62.101
flat angles C4'-P-C4' energy: -38.713
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: 6.308
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: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -264.563997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.563997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.563997 (E_RNA)
where:
Base-Base interactions energy: -69.157
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.195
local terms energy: -195.212131
where:
bonds (distance) C4'-P energy: -62.349
bonds (distance) P-C4' energy: -56.825
flat angles C4'-P-C4' energy: -43.068
flat angles P-C4'-P energy: -32.837
tors. eta vs tors. theta energy: -0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1101.779300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.779300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.779300 (E_RNA)
where:
Base-Base interactions energy: -743.042
where: short stacking energy: -291.418
Base-Backbone interact. energy: -1.558
local terms energy: -357.179263
where:
bonds (distance) C4'-P energy: -60.362
bonds (distance) P-C4' energy: -67.413
flat angles C4'-P-C4' energy: -80.518
flat angles P-C4'-P energy: -44.300
tors. eta vs tors. theta energy: -104.586
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: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1036.143380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.143380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.143380 (E_RNA)
where:
Base-Base interactions energy: -673.492
where: short stacking energy: -311.738
Base-Backbone interact. energy: -0.523
local terms energy: -362.128571
where:
bonds (distance) C4'-P energy: -59.494
bonds (distance) P-C4' energy: -66.709
flat angles C4'-P-C4' energy: -77.182
flat angles P-C4'-P energy: -51.206
tors. eta vs tors. theta energy: -107.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -999.194031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.194031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.194031 (E_RNA)
where:
Base-Base interactions energy: -657.127
where: short stacking energy: -288.637
Base-Backbone interact. energy: -1.411
local terms energy: -340.656207
where:
bonds (distance) C4'-P energy: -65.030
bonds (distance) P-C4' energy: -62.000
flat angles C4'-P-C4' energy: -65.373
flat angles P-C4'-P energy: -52.076
tors. eta vs tors. theta energy: -96.177
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: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -918.493706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.493706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.493706 (E_RNA)
where:
Base-Base interactions energy: -598.526
where: short stacking energy: -259.014
Base-Backbone interact. energy: -0.749
local terms energy: -319.218943
where:
bonds (distance) C4'-P energy: -64.558
bonds (distance) P-C4' energy: -62.359
flat angles C4'-P-C4' energy: -61.669
flat angles P-C4'-P energy: -44.554
tors. eta vs tors. theta energy: -86.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -825.146690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.146690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.146690 (E_RNA)
where:
Base-Base interactions energy: -538.864
where: short stacking energy: -237.371
Base-Backbone interact. energy: -2.027
local terms energy: -284.255213
where:
bonds (distance) C4'-P energy: -61.447
bonds (distance) P-C4' energy: -73.392
flat angles C4'-P-C4' energy: -65.371
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -46.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -648.494555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.494555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.494555 (E_RNA)
where:
Base-Base interactions energy: -359.370
where: short stacking energy: -197.275
Base-Backbone interact. energy: -0.272
local terms energy: -288.852180
where:
bonds (distance) C4'-P energy: -60.646
bonds (distance) P-C4' energy: -67.009
flat angles C4'-P-C4' energy: -67.628
flat angles P-C4'-P energy: -45.951
tors. eta vs tors. theta energy: -47.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -390.670006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.670006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.670006 (E_RNA)
where:
Base-Base interactions energy: -212.572
where: short stacking energy: -107.548
Base-Backbone interact. energy: 5.490
local terms energy: -183.587624
where:
bonds (distance) C4'-P energy: -50.317
bonds (distance) P-C4' energy: -61.466
flat angles C4'-P-C4' energy: -35.567
flat angles P-C4'-P energy: -32.474
tors. eta vs tors. theta energy: -3.763
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: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -350.114343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.114343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.114343 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -103.496
Base-Backbone interact. energy: -0.075
local terms energy: -209.216883
where:
bonds (distance) C4'-P energy: -48.265
bonds (distance) P-C4' energy: -57.462
flat angles C4'-P-C4' energy: -56.645
flat angles P-C4'-P energy: -38.662
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: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -292.574241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.574241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.574241 (E_RNA)
where:
Base-Base interactions energy: -115.245
where: short stacking energy: -82.855
Base-Backbone interact. energy: 3.128
local terms energy: -180.456880
where:
bonds (distance) C4'-P energy: -55.623
bonds (distance) P-C4' energy: -58.835
flat angles C4'-P-C4' energy: -40.803
flat angles P-C4'-P energy: -24.152
tors. eta vs tors. theta energy: -1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -267.857788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.857788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.857788 (E_RNA)
where:
Base-Base interactions energy: -95.746
where: short stacking energy: -65.745
Base-Backbone interact. energy: 2.284
local terms energy: -174.395445
where:
bonds (distance) C4'-P energy: -43.503
bonds (distance) P-C4' energy: -64.782
flat angles C4'-P-C4' energy: -50.439
flat angles P-C4'-P energy: -37.434
tors. eta vs tors. theta energy: 21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1105.312996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.312996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.312996 (E_RNA)
where:
Base-Base interactions energy: -742.801
where: short stacking energy: -298.196
Base-Backbone interact. energy: -1.617
local terms energy: -360.894682
where:
bonds (distance) C4'-P energy: -67.711
bonds (distance) P-C4' energy: -66.402
flat angles C4'-P-C4' energy: -76.536
flat angles P-C4'-P energy: -48.161
tors. eta vs tors. theta energy: -102.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1059.992137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.992137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.992137 (E_RNA)
where:
Base-Base interactions energy: -714.173
where: short stacking energy: -297.264
Base-Backbone interact. energy: -1.014
local terms energy: -344.805320
where:
bonds (distance) C4'-P energy: -59.133
bonds (distance) P-C4' energy: -70.310
flat angles C4'-P-C4' energy: -82.085
flat angles P-C4'-P energy: -40.963
tors. eta vs tors. theta energy: -92.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -974.715767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.715767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.715767 (E_RNA)
where:
Base-Base interactions energy: -648.590
where: short stacking energy: -267.958
Base-Backbone interact. energy: -1.492
local terms energy: -324.633897
where:
bonds (distance) C4'-P energy: -56.735
bonds (distance) P-C4' energy: -69.400
flat angles C4'-P-C4' energy: -72.817
flat angles P-C4'-P energy: -37.402
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: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -945.392952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.392952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.392952 (E_RNA)
where:
Base-Base interactions energy: -625.416
where: short stacking energy: -275.821
Base-Backbone interact. energy: -0.672
local terms energy: -319.305491
where:
bonds (distance) C4'-P energy: -60.313
bonds (distance) P-C4' energy: -64.536
flat angles C4'-P-C4' energy: -62.927
flat angles P-C4'-P energy: -38.826
tors. eta vs tors. theta energy: -92.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -810.101785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.101785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.101785 (E_RNA)
where:
Base-Base interactions energy: -535.675
where: short stacking energy: -219.657
Base-Backbone interact. energy: -0.692
local terms energy: -273.734736
where:
bonds (distance) C4'-P energy: -51.160
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -71.681
flat angles P-C4'-P energy: -38.051
tors. eta vs tors. theta energy: -59.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -719.647060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.647060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.647060 (E_RNA)
where:
Base-Base interactions energy: -431.412
where: short stacking energy: -200.558
Base-Backbone interact. energy: -0.728
local terms energy: -287.507499
where:
bonds (distance) C4'-P energy: -55.705
bonds (distance) P-C4' energy: -63.452
flat angles C4'-P-C4' energy: -70.452
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -55.687
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: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -380.716856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.716856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.716856 (E_RNA)
where:
Base-Base interactions energy: -166.612
where: short stacking energy: -92.108
Base-Backbone interact. energy: -1.078
local terms energy: -213.027339
where:
bonds (distance) C4'-P energy: -45.130
bonds (distance) P-C4' energy: -73.765
flat angles C4'-P-C4' energy: -59.843
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -358.612452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.612452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.612452 (E_RNA)
where:
Base-Base interactions energy: -170.216
where: short stacking energy: -104.542
Base-Backbone interact. energy: -0.166
local terms energy: -190.162694
where:
bonds (distance) C4'-P energy: -65.573
bonds (distance) P-C4' energy: -52.401
flat angles C4'-P-C4' energy: -52.037
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.932 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -305.884881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.884881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.884881 (E_RNA)
where:
Base-Base interactions energy: -122.171
where: short stacking energy: -68.954
Base-Backbone interact. energy: -1.307
local terms energy: -182.407417
where:
bonds (distance) C4'-P energy: -46.886
bonds (distance) P-C4' energy: -64.588
flat angles C4'-P-C4' energy: -43.270
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: 0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -259.659430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.659430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.659430 (E_RNA)
where:
Base-Base interactions energy: -97.073
where: short stacking energy: -52.723
Base-Backbone interact. energy: 5.015
local terms energy: -167.602101
where:
bonds (distance) C4'-P energy: -51.593
bonds (distance) P-C4' energy: -63.254
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: 13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1100.785836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.785836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.785836 (E_RNA)
where:
Base-Base interactions energy: -756.778
where: short stacking energy: -289.805
Base-Backbone interact. energy: -2.794
local terms energy: -342.226230
where:
bonds (distance) C4'-P energy: -56.844
bonds (distance) P-C4' energy: -74.570
flat angles C4'-P-C4' energy: -64.432
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -97.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.012 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1069.281249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.281249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.281249 (E_RNA)
where:
Base-Base interactions energy: -683.569
where: short stacking energy: -322.449
Base-Backbone interact. energy: -0.659
local terms energy: -385.052981
where:
bonds (distance) C4'-P energy: -74.343
bonds (distance) P-C4' energy: -64.426
flat angles C4'-P-C4' energy: -74.598
flat angles P-C4'-P energy: -59.418
tors. eta vs tors. theta energy: -112.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1007.267260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.267260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.267260 (E_RNA)
where:
Base-Base interactions energy: -682.281
where: short stacking energy: -297.174
Base-Backbone interact. energy: 1.052
local terms energy: -326.037533
where:
bonds (distance) C4'-P energy: -54.568
bonds (distance) P-C4' energy: -60.454
flat angles C4'-P-C4' energy: -71.867
flat angles P-C4'-P energy: -47.644
tors. eta vs tors. theta energy: -91.505
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: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -992.485902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.485902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.485902 (E_RNA)
where:
Base-Base interactions energy: -638.057
where: short stacking energy: -291.967
Base-Backbone interact. energy: -0.257
local terms energy: -354.453854
where:
bonds (distance) C4'-P energy: -71.041
bonds (distance) P-C4' energy: -63.356
flat angles C4'-P-C4' energy: -79.183
flat angles P-C4'-P energy: -39.903
tors. eta vs tors. theta energy: -100.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.283 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -877.845777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.845777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.845777 (E_RNA)
where:
Base-Base interactions energy: -566.210
where: short stacking energy: -247.665
Base-Backbone interact. energy: -0.397
local terms energy: -311.238085
where:
bonds (distance) C4'-P energy: -61.913
bonds (distance) P-C4' energy: -71.188
flat angles C4'-P-C4' energy: -63.283
flat angles P-C4'-P energy: -44.728
tors. eta vs tors. theta energy: -70.126
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: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -705.655845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.655845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.655845 (E_RNA)
where:
Base-Base interactions energy: -418.116
where: short stacking energy: -187.824
Base-Backbone interact. energy: -0.181
local terms energy: -287.359200
where:
bonds (distance) C4'-P energy: -66.491
bonds (distance) P-C4' energy: -64.867
flat angles C4'-P-C4' energy: -68.554
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -57.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -431.635643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.635643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.635643 (E_RNA)
where:
Base-Base interactions energy: -226.276
where: short stacking energy: -123.972
Base-Backbone interact. energy: -0.486
local terms energy: -204.873369
where:
bonds (distance) C4'-P energy: -63.690
bonds (distance) P-C4' energy: -58.951
flat angles C4'-P-C4' energy: -43.041
flat angles P-C4'-P energy: -28.385
tors. eta vs tors. theta energy: -10.807
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: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -300.007915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.007915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.007915 (E_RNA)
where:
Base-Base interactions energy: -99.328
where: short stacking energy: -69.114
Base-Backbone interact. energy: 0.338
local terms energy: -201.018715
where:
bonds (distance) C4'-P energy: -64.850
bonds (distance) P-C4' energy: -69.506
flat angles C4'-P-C4' energy: -57.219
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: 13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -329.614941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.614941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.614941 (E_RNA)
where:
Base-Base interactions energy: -132.083
where: short stacking energy: -77.223
Base-Backbone interact. energy: -1.486
local terms energy: -196.045589
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -62.517
flat angles C4'-P-C4' energy: -55.445
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: 4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -257.388077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.388077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.388077 (E_RNA)
where:
Base-Base interactions energy: -75.744
where: short stacking energy: -60.533
Base-Backbone interact. energy: -1.882
local terms energy: -179.762042
where:
bonds (distance) C4'-P energy: -48.277
bonds (distance) P-C4' energy: -71.401
flat angles C4'-P-C4' energy: -46.830
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: 16.833
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: 1, replica: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1101.709327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.709327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.709327 (E_RNA)
where:
Base-Base interactions energy: -752.114
where: short stacking energy: -303.014
Base-Backbone interact. energy: 0.176
local terms energy: -350.112713
where:
bonds (distance) C4'-P energy: -74.978
bonds (distance) P-C4' energy: -63.980
flat angles C4'-P-C4' energy: -63.992
flat angles P-C4'-P energy: -46.712
tors. eta vs tors. theta energy: -100.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.341 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1016.600129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.600129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.600129 (E_RNA)
where:
Base-Base interactions energy: -653.920
where: short stacking energy: -306.317
Base-Backbone interact. energy: -0.067
local terms energy: -362.612209
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -74.293
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -57.645
tors. eta vs tors. theta energy: -101.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -974.985898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.985898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.985898 (E_RNA)
where:
Base-Base interactions energy: -657.248
where: short stacking energy: -273.820
Base-Backbone interact. energy: -2.218
local terms energy: -315.520139
where:
bonds (distance) C4'-P energy: -64.496
bonds (distance) P-C4' energy: -65.256
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -46.193
tors. eta vs tors. theta energy: -80.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -987.386776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.386776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.386776 (E_RNA)
where:
Base-Base interactions energy: -633.456
where: short stacking energy: -263.438
Base-Backbone interact. energy: -0.964
local terms energy: -352.967080
where:
bonds (distance) C4'-P energy: -63.609
bonds (distance) P-C4' energy: -65.547
flat angles C4'-P-C4' energy: -72.061
flat angles P-C4'-P energy: -57.831
tors. eta vs tors. theta energy: -93.920
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: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -860.587761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.587761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.587761 (E_RNA)
where:
Base-Base interactions energy: -565.300
where: short stacking energy: -252.910
Base-Backbone interact. energy: -0.101
local terms energy: -295.186512
where:
bonds (distance) C4'-P energy: -61.231
bonds (distance) P-C4' energy: -66.096
flat angles C4'-P-C4' energy: -63.613
flat angles P-C4'-P energy: -41.216
tors. eta vs tors. theta energy: -63.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -632.433784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.433784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.433784 (E_RNA)
where:
Base-Base interactions energy: -365.297
where: short stacking energy: -173.139
Base-Backbone interact. energy: 0.130
local terms energy: -267.266990
where:
bonds (distance) C4'-P energy: -52.103
bonds (distance) P-C4' energy: -68.333
flat angles C4'-P-C4' energy: -66.381
flat angles P-C4'-P energy: -38.440
tors. eta vs tors. theta energy: -42.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -391.840527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.840527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.840527 (E_RNA)
where:
Base-Base interactions energy: -188.932
where: short stacking energy: -99.457
Base-Backbone interact. energy: 0.051
local terms energy: -202.959191
where:
bonds (distance) C4'-P energy: -56.149
bonds (distance) P-C4' energy: -62.750
flat angles C4'-P-C4' energy: -45.178
flat angles P-C4'-P energy: -29.907
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -310.570428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.570428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.570428 (E_RNA)
where:
Base-Base interactions energy: -140.471
where: short stacking energy: -70.333
Base-Backbone interact. energy: 0.627
local terms energy: -171.216701
where:
bonds (distance) C4'-P energy: -58.980
bonds (distance) P-C4' energy: -42.260
flat angles C4'-P-C4' energy: -52.076
flat angles P-C4'-P energy: -26.915
tors. eta vs tors. theta energy: 9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.491 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -285.953303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.953303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.953303 (E_RNA)
where:
Base-Base interactions energy: -100.416
where: short stacking energy: -66.904
Base-Backbone interact. energy: -2.300
local terms energy: -183.236981
where:
bonds (distance) C4'-P energy: -50.930
bonds (distance) P-C4' energy: -57.823
flat angles C4'-P-C4' energy: -51.166
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: 4.668
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: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -269.894361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.894361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.894361 (E_RNA)
where:
Base-Base interactions energy: -98.495
where: short stacking energy: -44.288
Base-Backbone interact. energy: -1.780
local terms energy: -169.619180
where:
bonds (distance) C4'-P energy: -53.012
bonds (distance) P-C4' energy: -60.118
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -31.075
tors. eta vs tors. theta energy: 20.563
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: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1108.618024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.618024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.618024 (E_RNA)
where:
Base-Base interactions energy: -741.313
where: short stacking energy: -300.077
Base-Backbone interact. energy: -0.892
local terms energy: -366.412479
where:
bonds (distance) C4'-P energy: -61.113
bonds (distance) P-C4' energy: -75.558
flat angles C4'-P-C4' energy: -76.237
flat angles P-C4'-P energy: -58.912
tors. eta vs tors. theta energy: -94.592
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: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1027.112845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.112845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.112845 (E_RNA)
where:
Base-Base interactions energy: -670.128
where: short stacking energy: -292.584
Base-Backbone interact. energy: 0.538
local terms energy: -357.522078
where:
bonds (distance) C4'-P energy: -66.996
bonds (distance) P-C4' energy: -69.702
flat angles C4'-P-C4' energy: -74.234
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -93.908
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: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -985.066061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.066061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.066061 (E_RNA)
where:
Base-Base interactions energy: -653.971
where: short stacking energy: -287.905
Base-Backbone interact. energy: -0.965
local terms energy: -330.130749
where:
bonds (distance) C4'-P energy: -68.691
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -61.774
flat angles P-C4'-P energy: -53.635
tors. eta vs tors. theta energy: -81.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -980.247202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.247202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.247202 (E_RNA)
where:
Base-Base interactions energy: -636.839
where: short stacking energy: -291.393
Base-Backbone interact. energy: -1.466
local terms energy: -341.942298
where:
bonds (distance) C4'-P energy: -59.549
bonds (distance) P-C4' energy: -68.932
flat angles C4'-P-C4' energy: -66.588
flat angles P-C4'-P energy: -45.547
tors. eta vs tors. theta energy: -101.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -872.785444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.785444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.785444 (E_RNA)
where:
Base-Base interactions energy: -570.264
where: short stacking energy: -228.970
Base-Backbone interact. energy: -1.354
local terms energy: -301.167541
where:
bonds (distance) C4'-P energy: -59.307
bonds (distance) P-C4' energy: -47.034
flat angles C4'-P-C4' energy: -73.989
flat angles P-C4'-P energy: -53.426
tors. eta vs tors. theta energy: -67.411
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: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -646.750865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.750865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.750865 (E_RNA)
where:
Base-Base interactions energy: -383.114
where: short stacking energy: -172.572
Base-Backbone interact. energy: -1.632
local terms energy: -262.004821
where:
bonds (distance) C4'-P energy: -56.134
bonds (distance) P-C4' energy: -67.390
flat angles C4'-P-C4' energy: -62.978
flat angles P-C4'-P energy: -34.845
tors. eta vs tors. theta energy: -40.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -410.395710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.395710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.395710 (E_RNA)
where:
Base-Base interactions energy: -195.846
where: short stacking energy: -114.921
Base-Backbone interact. energy: -1.522
local terms energy: -213.027525
where:
bonds (distance) C4'-P energy: -56.222
bonds (distance) P-C4' energy: -55.373
flat angles C4'-P-C4' energy: -52.467
flat angles P-C4'-P energy: -28.867
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -304.107009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.107009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.107009 (E_RNA)
where:
Base-Base interactions energy: -103.988
where: short stacking energy: -85.851
Base-Backbone interact. energy: 2.847
local terms energy: -202.965562
where:
bonds (distance) C4'-P energy: -59.780
bonds (distance) P-C4' energy: -61.311
flat angles C4'-P-C4' energy: -57.601
flat angles P-C4'-P energy: -32.689
tors. eta vs tors. theta energy: 8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -285.841934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.841934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.841934 (E_RNA)
where:
Base-Base interactions energy: -85.393
where: short stacking energy: -75.087
Base-Backbone interact. energy: -0.638
local terms energy: -199.810926
where:
bonds (distance) C4'-P energy: -59.094
bonds (distance) P-C4' energy: -64.188
flat angles C4'-P-C4' energy: -47.356
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: 6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -264.358291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.358291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.358291 (E_RNA)
where:
Base-Base interactions energy: -85.584
where: short stacking energy: -72.667
Base-Backbone interact. energy: 1.663
local terms energy: -180.437100
where:
bonds (distance) C4'-P energy: -52.212
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -48.246
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: 10.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1099.654481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.654481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.654481 (E_RNA)
where:
Base-Base interactions energy: -747.265
where: short stacking energy: -295.174
Base-Backbone interact. energy: -2.822
local terms energy: -349.567978
where:
bonds (distance) C4'-P energy: -55.418
bonds (distance) P-C4' energy: -72.129
flat angles C4'-P-C4' energy: -72.328
flat angles P-C4'-P energy: -52.819
tors. eta vs tors. theta energy: -96.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1054.770595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.770595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.770595 (E_RNA)
where:
Base-Base interactions energy: -701.167
where: short stacking energy: -317.438
Base-Backbone interact. energy: 0.613
local terms energy: -354.217228
where:
bonds (distance) C4'-P energy: -54.072
bonds (distance) P-C4' energy: -62.790
flat angles C4'-P-C4' energy: -70.333
flat angles P-C4'-P energy: -63.943
tors. eta vs tors. theta energy: -103.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1049.686412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.686412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.686412 (E_RNA)
where:
Base-Base interactions energy: -679.149
where: short stacking energy: -318.851
Base-Backbone interact. energy: -0.614
local terms energy: -369.923061
where:
bonds (distance) C4'-P energy: -66.753
bonds (distance) P-C4' energy: -67.542
flat angles C4'-P-C4' energy: -70.718
flat angles P-C4'-P energy: -56.304
tors. eta vs tors. theta energy: -108.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -963.753438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.753438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.753438 (E_RNA)
where:
Base-Base interactions energy: -653.961
where: short stacking energy: -281.268
Base-Backbone interact. energy: 1.204
local terms energy: -310.996793
where:
bonds (distance) C4'-P energy: -59.188
bonds (distance) P-C4' energy: -71.860
flat angles C4'-P-C4' energy: -61.153
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -80.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -901.165675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.165675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.165675 (E_RNA)
where:
Base-Base interactions energy: -600.604
where: short stacking energy: -256.984
Base-Backbone interact. energy: -0.584
local terms energy: -299.977905
where:
bonds (distance) C4'-P energy: -59.806
bonds (distance) P-C4' energy: -62.783
flat angles C4'-P-C4' energy: -66.192
flat angles P-C4'-P energy: -41.707
tors. eta vs tors. theta energy: -69.489
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: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -638.189884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.189884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.189884 (E_RNA)
where:
Base-Base interactions energy: -351.380
where: short stacking energy: -156.158
Base-Backbone interact. energy: -2.580
local terms energy: -284.229887
where:
bonds (distance) C4'-P energy: -60.684
bonds (distance) P-C4' energy: -74.718
flat angles C4'-P-C4' energy: -57.817
flat angles P-C4'-P energy: -48.016
tors. eta vs tors. theta energy: -42.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -470.255670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.255670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.255670 (E_RNA)
where:
Base-Base interactions energy: -246.365
where: short stacking energy: -107.476
Base-Backbone interact. energy: -2.949
local terms energy: -220.941427
where:
bonds (distance) C4'-P energy: -67.493
bonds (distance) P-C4' energy: -56.749
flat angles C4'-P-C4' energy: -52.698
flat angles P-C4'-P energy: -34.847
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -284.701934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.701934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.701934 (E_RNA)
where:
Base-Base interactions energy: -101.846
where: short stacking energy: -78.048
Base-Backbone interact. energy: 0.575
local terms energy: -183.430600
where:
bonds (distance) C4'-P energy: -50.354
bonds (distance) P-C4' energy: -69.724
flat angles C4'-P-C4' energy: -47.794
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: 7.950
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: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -281.665940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.665940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.665940 (E_RNA)
where:
Base-Base interactions energy: -82.824
where: short stacking energy: -73.005
Base-Backbone interact. energy: 0.525
local terms energy: -200.109925
where:
bonds (distance) C4'-P energy: -51.709
bonds (distance) P-C4' energy: -60.819
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -35.092
tors. eta vs tors. theta energy: 8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.743 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -251.320211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.320211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.320211 (E_RNA)
where:
Base-Base interactions energy: -57.260
where: short stacking energy: -45.266
Base-Backbone interact. energy: -0.253
local terms energy: -193.807743
where:
bonds (distance) C4'-P energy: -66.283
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -33.218
tors. eta vs tors. theta energy: 20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1113.304847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.304847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.304847 (E_RNA)
where:
Base-Base interactions energy: -758.382
where: short stacking energy: -300.800
Base-Backbone interact. energy: -1.299
local terms energy: -355.112718
where:
bonds (distance) C4'-P energy: -72.222
bonds (distance) P-C4' energy: -66.461
flat angles C4'-P-C4' energy: -75.679
flat angles P-C4'-P energy: -44.339
tors. eta vs tors. theta energy: -96.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.489 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1064.770232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.770232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.770232 (E_RNA)
where:
Base-Base interactions energy: -712.628
where: short stacking energy: -322.282
Base-Backbone interact. energy: -0.187
local terms energy: -351.955682
where:
bonds (distance) C4'-P energy: -57.422
bonds (distance) P-C4' energy: -60.284
flat angles C4'-P-C4' energy: -81.026
flat angles P-C4'-P energy: -44.137
tors. eta vs tors. theta energy: -109.086
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: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1027.911676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.911676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.911676 (E_RNA)
where:
Base-Base interactions energy: -679.239
where: short stacking energy: -332.292
Base-Backbone interact. energy: 0.567
local terms energy: -349.239803
where:
bonds (distance) C4'-P energy: -57.184
bonds (distance) P-C4' energy: -57.537
flat angles C4'-P-C4' energy: -75.035
flat angles P-C4'-P energy: -52.573
tors. eta vs tors. theta energy: -106.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -940.880167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.880167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.880167 (E_RNA)
where:
Base-Base interactions energy: -639.841
where: short stacking energy: -252.140
Base-Backbone interact. energy: -0.402
local terms energy: -301.020563
where:
bonds (distance) C4'-P energy: -56.491
bonds (distance) P-C4' energy: -60.594
flat angles C4'-P-C4' energy: -65.339
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -82.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.384 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -863.178450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.178450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.178450 (E_RNA)
where:
Base-Base interactions energy: -580.080
where: short stacking energy: -225.419
Base-Backbone interact. energy: -1.808
local terms energy: -281.290924
where:
bonds (distance) C4'-P energy: -62.320
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -59.840
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -65.109
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: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -645.128534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.128534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.128534 (E_RNA)
where:
Base-Base interactions energy: -386.969
where: short stacking energy: -179.795
Base-Backbone interact. energy: -0.749
local terms energy: -257.410735
where:
bonds (distance) C4'-P energy: -63.083
bonds (distance) P-C4' energy: -56.973
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -34.963
tors. eta vs tors. theta energy: -43.517
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: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -524.422409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.422409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.422409 (E_RNA)
where:
Base-Base interactions energy: -291.965
where: short stacking energy: -134.488
Base-Backbone interact. energy: 1.465
local terms energy: -233.922553
where:
bonds (distance) C4'-P energy: -57.856
bonds (distance) P-C4' energy: -62.743
flat angles C4'-P-C4' energy: -51.595
flat angles P-C4'-P energy: -36.841
tors. eta vs tors. theta energy: -24.888
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: 8, replica: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -303.273277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.273277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.273277 (E_RNA)
where:
Base-Base interactions energy: -113.900
where: short stacking energy: -71.535
Base-Backbone interact. energy: -1.951
local terms energy: -187.421430
where:
bonds (distance) C4'-P energy: -52.753
bonds (distance) P-C4' energy: -69.027
flat angles C4'-P-C4' energy: -52.586
flat angles P-C4'-P energy: -25.589
tors. eta vs tors. theta energy: 12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -267.285525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.285525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.285525 (E_RNA)
where:
Base-Base interactions energy: -104.000
where: short stacking energy: -69.810
Base-Backbone interact. energy: -1.431
local terms energy: -161.855250
where:
bonds (distance) C4'-P energy: -55.836
bonds (distance) P-C4' energy: -57.314
flat angles C4'-P-C4' energy: -38.348
flat angles P-C4'-P energy: -25.651
tors. eta vs tors. theta energy: 15.293
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: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -272.919944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.919944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.919944 (E_RNA)
where:
Base-Base interactions energy: -108.435
where: short stacking energy: -60.301
Base-Backbone interact. energy: -0.310
local terms energy: -164.175355
where:
bonds (distance) C4'-P energy: -53.111
bonds (distance) P-C4' energy: -62.157
flat angles C4'-P-C4' energy: -48.564
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: 13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1098.800680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.800680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.800680 (E_RNA)
where:
Base-Base interactions energy: -719.472
where: short stacking energy: -330.049
Base-Backbone interact. energy: -0.928
local terms energy: -378.400896
where:
bonds (distance) C4'-P energy: -66.142
bonds (distance) P-C4' energy: -80.149
flat angles C4'-P-C4' energy: -77.008
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -108.831
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: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1074.724383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.724383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.724383 (E_RNA)
where:
Base-Base interactions energy: -732.268
where: short stacking energy: -289.095
Base-Backbone interact. energy: -4.019
local terms energy: -338.437559
where:
bonds (distance) C4'-P energy: -61.769
bonds (distance) P-C4' energy: -64.895
flat angles C4'-P-C4' energy: -66.522
flat angles P-C4'-P energy: -50.821
tors. eta vs tors. theta energy: -94.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1036.528238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.528238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.528238 (E_RNA)
where:
Base-Base interactions energy: -669.672
where: short stacking energy: -294.821
Base-Backbone interact. energy: -1.294
local terms energy: -365.562449
where:
bonds (distance) C4'-P energy: -66.391
bonds (distance) P-C4' energy: -71.150
flat angles C4'-P-C4' energy: -73.013
flat angles P-C4'-P energy: -52.297
tors. eta vs tors. theta energy: -102.712
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: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -944.662511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.662511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.662511 (E_RNA)
where:
Base-Base interactions energy: -636.197
where: short stacking energy: -270.555
Base-Backbone interact. energy: 2.948
local terms energy: -311.412809
where:
bonds (distance) C4'-P energy: -54.630
bonds (distance) P-C4' energy: -60.800
flat angles C4'-P-C4' energy: -74.671
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -78.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -888.418610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.418610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.418610 (E_RNA)
where:
Base-Base interactions energy: -590.548
where: short stacking energy: -240.080
Base-Backbone interact. energy: -1.422
local terms energy: -296.448942
where:
bonds (distance) C4'-P energy: -62.283
bonds (distance) P-C4' energy: -65.359
flat angles C4'-P-C4' energy: -63.537
flat angles P-C4'-P energy: -38.626
tors. eta vs tors. theta energy: -66.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -663.409194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.409194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.409194 (E_RNA)
where:
Base-Base interactions energy: -387.432
where: short stacking energy: -183.675
Base-Backbone interact. energy: 0.625
local terms energy: -276.602698
where:
bonds (distance) C4'-P energy: -62.479
bonds (distance) P-C4' energy: -67.997
flat angles C4'-P-C4' energy: -68.986
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -43.560
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: 472
Temperature: 1.200000
Total energy: -442.245904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.245904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.245904 (E_RNA)
where:
Base-Base interactions energy: -230.948
where: short stacking energy: -110.989
Base-Backbone interact. energy: 0.291
local terms energy: -211.588788
where:
bonds (distance) C4'-P energy: -54.579
bonds (distance) P-C4' energy: -50.084
flat angles C4'-P-C4' energy: -49.665
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: -16.373
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: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -309.277264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.277264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.277264 (E_RNA)
where:
Base-Base interactions energy: -112.532
where: short stacking energy: -61.260
Base-Backbone interact. energy: -1.390
local terms energy: -195.354867
where:
bonds (distance) C4'-P energy: -57.844
bonds (distance) P-C4' energy: -65.094
flat angles C4'-P-C4' energy: -58.265
flat angles P-C4'-P energy: -29.759
tors. eta vs tors. theta energy: 15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -272.348421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.348421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.348421 (E_RNA)
where:
Base-Base interactions energy: -103.600
where: short stacking energy: -69.807
Base-Backbone interact. energy: 1.929
local terms energy: -170.678292
where:
bonds (distance) C4'-P energy: -57.366
bonds (distance) P-C4' energy: -63.200
flat angles C4'-P-C4' energy: -39.973
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: 1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -264.766251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.766251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.766251 (E_RNA)
where:
Base-Base interactions energy: -98.959
where: short stacking energy: -73.382
Base-Backbone interact. energy: 2.681
local terms energy: -168.488207
where:
bonds (distance) C4'-P energy: -60.910
bonds (distance) P-C4' energy: -58.219
flat angles C4'-P-C4' energy: -45.993
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: 12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1097.958399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.958399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.958399 (E_RNA)
where:
Base-Base interactions energy: -719.043
where: short stacking energy: -321.798
Base-Backbone interact. energy: -0.701
local terms energy: -378.215169
where:
bonds (distance) C4'-P energy: -65.595
bonds (distance) P-C4' energy: -70.314
flat angles C4'-P-C4' energy: -80.459
flat angles P-C4'-P energy: -49.867
tors. eta vs tors. theta energy: -111.981
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: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1071.736855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.736855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.736855 (E_RNA)
where:
Base-Base interactions energy: -726.078
where: short stacking energy: -278.858
Base-Backbone interact. energy: -2.968
local terms energy: -342.690778
where:
bonds (distance) C4'-P energy: -70.255
bonds (distance) P-C4' energy: -65.949
flat angles C4'-P-C4' energy: -67.913
flat angles P-C4'-P energy: -52.777
tors. eta vs tors. theta energy: -85.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1049.097661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.097661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.097661 (E_RNA)
where:
Base-Base interactions energy: -702.470
where: short stacking energy: -299.618
Base-Backbone interact. energy: 0.255
local terms energy: -346.882726
where:
bonds (distance) C4'-P energy: -72.201
bonds (distance) P-C4' energy: -66.214
flat angles C4'-P-C4' energy: -73.508
flat angles P-C4'-P energy: -34.390
tors. eta vs tors. theta energy: -100.569
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: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -964.303909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.303909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.303909 (E_RNA)
where:
Base-Base interactions energy: -641.385
where: short stacking energy: -268.292
Base-Backbone interact. energy: -2.426
local terms energy: -320.492493
where:
bonds (distance) C4'-P energy: -65.171
bonds (distance) P-C4' energy: -61.995
flat angles C4'-P-C4' energy: -70.549
flat angles P-C4'-P energy: -43.464
tors. eta vs tors. theta energy: -79.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -870.481957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.481957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.481957 (E_RNA)
where:
Base-Base interactions energy: -579.768
where: short stacking energy: -254.739
Base-Backbone interact. energy: -0.188
local terms energy: -290.526722
where:
bonds (distance) C4'-P energy: -62.634
bonds (distance) P-C4' energy: -57.306
flat angles C4'-P-C4' energy: -52.292
flat angles P-C4'-P energy: -40.531
tors. eta vs tors. theta energy: -77.764
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: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -641.305594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.305594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.305594 (E_RNA)
where:
Base-Base interactions energy: -394.040
where: short stacking energy: -176.300
Base-Backbone interact. energy: 1.295
local terms energy: -248.560807
where:
bonds (distance) C4'-P energy: -69.161
bonds (distance) P-C4' energy: -52.002
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: -39.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -525.461199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.461199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.461199 (E_RNA)
where:
Base-Base interactions energy: -279.048
where: short stacking energy: -131.787
Base-Backbone interact. energy: -1.308
local terms energy: -245.104928
where:
bonds (distance) C4'-P energy: -49.330
bonds (distance) P-C4' energy: -62.302
flat angles C4'-P-C4' energy: -66.430
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: -26.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -321.431788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.431788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.431788 (E_RNA)
where:
Base-Base interactions energy: -120.230
where: short stacking energy: -71.111
Base-Backbone interact. energy: -1.097
local terms energy: -200.103998
where:
bonds (distance) C4'-P energy: -51.423
bonds (distance) P-C4' energy: -62.794
flat angles C4'-P-C4' energy: -62.018
flat angles P-C4'-P energy: -33.331
tors. eta vs tors. theta energy: 9.464
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: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -309.641391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.641391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.641391 (E_RNA)
where:
Base-Base interactions energy: -131.592
where: short stacking energy: -77.660
Base-Backbone interact. energy: -1.705
local terms energy: -176.644011
where:
bonds (distance) C4'-P energy: -46.621
bonds (distance) P-C4' energy: -52.269
flat angles C4'-P-C4' energy: -45.271
flat angles P-C4'-P energy: -34.903
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.300 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -274.896988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.896988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.896988 (E_RNA)
where:
Base-Base interactions energy: -81.620
where: short stacking energy: -73.444
Base-Backbone interact. energy: 0.036
local terms energy: -193.312846
where:
bonds (distance) C4'-P energy: -50.987
bonds (distance) P-C4' energy: -60.284
flat angles C4'-P-C4' energy: -58.917
flat angles P-C4'-P energy: -28.904
tors. eta vs tors. theta energy: 5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1126.858302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.858302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.858302 (E_RNA)
where:
Base-Base interactions energy: -745.160
where: short stacking energy: -337.286
Base-Backbone interact. energy: -0.129
local terms energy: -381.568797
where:
bonds (distance) C4'-P energy: -68.980
bonds (distance) P-C4' energy: -69.295
flat angles C4'-P-C4' energy: -77.295
flat angles P-C4'-P energy: -46.225
tors. eta vs tors. theta energy: -119.773
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: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1091.687330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.687330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.687330 (E_RNA)
where:
Base-Base interactions energy: -749.531
where: short stacking energy: -304.794
Base-Backbone interact. energy: -0.439
local terms energy: -341.717474
where:
bonds (distance) C4'-P energy: -59.371
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -74.899
flat angles P-C4'-P energy: -42.758
tors. eta vs tors. theta energy: -102.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1031.226828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.226828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.226828 (E_RNA)
where:
Base-Base interactions energy: -684.072
where: short stacking energy: -313.746
Base-Backbone interact. energy: 0.630
local terms energy: -347.785448
where:
bonds (distance) C4'-P energy: -61.202
bonds (distance) P-C4' energy: -61.298
flat angles C4'-P-C4' energy: -76.731
flat angles P-C4'-P energy: -42.716
tors. eta vs tors. theta energy: -105.839
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: 474
Temperature: 1.050000
Total energy: -952.322541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.322541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.322541 (E_RNA)
where:
Base-Base interactions energy: -649.522
where: short stacking energy: -266.825
Base-Backbone interact. energy: -1.850
local terms energy: -300.950514
where:
bonds (distance) C4'-P energy: -58.834
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -65.778
flat angles P-C4'-P energy: -45.127
tors. eta vs tors. theta energy: -75.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -845.039772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.039772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.039772 (E_RNA)
where:
Base-Base interactions energy: -556.181
where: short stacking energy: -231.208
Base-Backbone interact. energy: -0.546
local terms energy: -288.312639
where:
bonds (distance) C4'-P energy: -54.703
bonds (distance) P-C4' energy: -60.607
flat angles C4'-P-C4' energy: -66.699
flat angles P-C4'-P energy: -45.064
tors. eta vs tors. theta energy: -61.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -627.448268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.448268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.448268 (E_RNA)
where:
Base-Base interactions energy: -360.876
where: short stacking energy: -155.723
Base-Backbone interact. energy: -2.307
local terms energy: -264.265347
where:
bonds (distance) C4'-P energy: -69.440
bonds (distance) P-C4' energy: -60.650
flat angles C4'-P-C4' energy: -65.053
flat angles P-C4'-P energy: -38.468
tors. eta vs tors. theta energy: -30.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -541.712179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.712179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.712179 (E_RNA)
where:
Base-Base interactions energy: -296.063
where: short stacking energy: -122.977
Base-Backbone interact. energy: -1.752
local terms energy: -243.896791
where:
bonds (distance) C4'-P energy: -51.403
bonds (distance) P-C4' energy: -76.871
flat angles C4'-P-C4' energy: -64.664
flat angles P-C4'-P energy: -30.050
tors. eta vs tors. theta energy: -20.909
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: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -303.160385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.160385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.160385 (E_RNA)
where:
Base-Base interactions energy: -99.466
where: short stacking energy: -76.082
Base-Backbone interact. energy: -0.911
local terms energy: -202.783773
where:
bonds (distance) C4'-P energy: -57.543
bonds (distance) P-C4' energy: -54.521
flat angles C4'-P-C4' energy: -43.617
flat angles P-C4'-P energy: -46.766
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -274.930701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.930701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.930701 (E_RNA)
where:
Base-Base interactions energy: -85.081
where: short stacking energy: -68.348
Base-Backbone interact. energy: -1.102
local terms energy: -188.747762
where:
bonds (distance) C4'-P energy: -52.287
bonds (distance) P-C4' energy: -63.527
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -2.046
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: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -251.371067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.371067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.371067 (E_RNA)
where:
Base-Base interactions energy: -80.863
where: short stacking energy: -77.337
Base-Backbone interact. energy: 0.861
local terms energy: -171.368934
where:
bonds (distance) C4'-P energy: -54.104
bonds (distance) P-C4' energy: -56.169
flat angles C4'-P-C4' energy: -37.853
flat angles P-C4'-P energy: -28.735
tors. eta vs tors. theta energy: 5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1099.753904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.753904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.753904 (E_RNA)
where:
Base-Base interactions energy: -734.382
where: short stacking energy: -316.396
Base-Backbone interact. energy: -0.179
local terms energy: -365.192621
where:
bonds (distance) C4'-P energy: -63.785
bonds (distance) P-C4' energy: -65.782
flat angles C4'-P-C4' energy: -70.338
flat angles P-C4'-P energy: -50.003
tors. eta vs tors. theta energy: -115.284
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: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1058.594905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.594905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.594905 (E_RNA)
where:
Base-Base interactions energy: -729.717
where: short stacking energy: -284.882
Base-Backbone interact. energy: 2.127
local terms energy: -331.004831
where:
bonds (distance) C4'-P energy: -60.498
bonds (distance) P-C4' energy: -67.963
flat angles C4'-P-C4' energy: -70.554
flat angles P-C4'-P energy: -46.254
tors. eta vs tors. theta energy: -85.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1006.020518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.020518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.020518 (E_RNA)
where:
Base-Base interactions energy: -657.957
where: short stacking energy: -313.980
Base-Backbone interact. energy: -0.910
local terms energy: -347.152761
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -72.703
flat angles C4'-P-C4' energy: -67.144
flat angles P-C4'-P energy: -47.931
tors. eta vs tors. theta energy: -99.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -941.646558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.646558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.646558 (E_RNA)
where:
Base-Base interactions energy: -627.020
where: short stacking energy: -264.696
Base-Backbone interact. energy: -0.502
local terms energy: -314.124181
where:
bonds (distance) C4'-P energy: -51.810
bonds (distance) P-C4' energy: -63.146
flat angles C4'-P-C4' energy: -74.788
flat angles P-C4'-P energy: -42.631
tors. eta vs tors. theta energy: -81.750
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: 475
Temperature: 1.100000
Total energy: -875.807277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.807277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.807277 (E_RNA)
where:
Base-Base interactions energy: -588.537
where: short stacking energy: -236.440
Base-Backbone interact. energy: -2.149
local terms energy: -285.121394
where:
bonds (distance) C4'-P energy: -67.127
bonds (distance) P-C4' energy: -54.383
flat angles C4'-P-C4' energy: -66.938
flat angles P-C4'-P energy: -32.552
tors. eta vs tors. theta energy: -64.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -669.889930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.889930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.889930 (E_RNA)
where:
Base-Base interactions energy: -418.401
where: short stacking energy: -197.002
Base-Backbone interact. energy: -0.733
local terms energy: -250.755925
where:
bonds (distance) C4'-P energy: -46.000
bonds (distance) P-C4' energy: -58.213
flat angles C4'-P-C4' energy: -55.907
flat angles P-C4'-P energy: -46.418
tors. eta vs tors. theta energy: -44.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -475.617191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.617191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.617191 (E_RNA)
where:
Base-Base interactions energy: -272.714
where: short stacking energy: -134.355
Base-Backbone interact. energy: -0.100
local terms energy: -202.803119
where:
bonds (distance) C4'-P energy: -53.005
bonds (distance) P-C4' energy: -63.737
flat angles C4'-P-C4' energy: -29.833
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -294.973211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.973211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.973211 (E_RNA)
where:
Base-Base interactions energy: -97.106
where: short stacking energy: -66.690
Base-Backbone interact. energy: -1.764
local terms energy: -196.103234
where:
bonds (distance) C4'-P energy: -62.804
bonds (distance) P-C4' energy: -62.895
flat angles C4'-P-C4' energy: -50.073
flat angles P-C4'-P energy: -30.076
tors. eta vs tors. theta energy: 9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -326.829704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.829704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.829704 (E_RNA)
where:
Base-Base interactions energy: -147.470
where: short stacking energy: -75.265
Base-Backbone interact. energy: -1.242
local terms energy: -178.117620
where:
bonds (distance) C4'-P energy: -54.522
bonds (distance) P-C4' energy: -58.857
flat angles C4'-P-C4' energy: -40.779
flat angles P-C4'-P energy: -33.979
tors. eta vs tors. theta energy: 10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -273.109178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.109178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.109178 (E_RNA)
where:
Base-Base interactions energy: -98.627
where: short stacking energy: -76.164
Base-Backbone interact. energy: 5.540
local terms energy: -180.022337
where:
bonds (distance) C4'-P energy: -66.170
bonds (distance) P-C4' energy: -60.635
flat angles C4'-P-C4' energy: -33.882
flat angles P-C4'-P energy: -33.033
tors. eta vs tors. theta energy: 13.697
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: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1106.050705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.050705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.050705 (E_RNA)
where:
Base-Base interactions energy: -727.509
where: short stacking energy: -329.501
Base-Backbone interact. energy: 0.240
local terms energy: -378.781046
where:
bonds (distance) C4'-P energy: -59.376
bonds (distance) P-C4' energy: -78.264
flat angles C4'-P-C4' energy: -73.874
flat angles P-C4'-P energy: -50.893
tors. eta vs tors. theta energy: -116.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1070.258671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.258671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.258671 (E_RNA)
where:
Base-Base interactions energy: -716.422
where: short stacking energy: -278.799
Base-Backbone interact. energy: -0.917
local terms energy: -352.919483
where:
bonds (distance) C4'-P energy: -72.252
bonds (distance) P-C4' energy: -70.033
flat angles C4'-P-C4' energy: -70.679
flat angles P-C4'-P energy: -45.659
tors. eta vs tors. theta energy: -94.297
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: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -983.030757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.030757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.030757 (E_RNA)
where:
Base-Base interactions energy: -647.764
where: short stacking energy: -266.720
Base-Backbone interact. energy: -0.370
local terms energy: -334.897702
where:
bonds (distance) C4'-P energy: -65.691
bonds (distance) P-C4' energy: -66.775
flat angles C4'-P-C4' energy: -64.671
flat angles P-C4'-P energy: -48.882
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: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -955.737035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.737035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.737035 (E_RNA)
where:
Base-Base interactions energy: -628.772
where: short stacking energy: -274.499
Base-Backbone interact. energy: 3.579
local terms energy: -330.543456
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -67.706
flat angles C4'-P-C4' energy: -64.256
flat angles P-C4'-P energy: -48.401
tors. eta vs tors. theta energy: -89.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -853.268831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.268831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.268831 (E_RNA)
where:
Base-Base interactions energy: -566.344
where: short stacking energy: -261.736
Base-Backbone interact. energy: 2.390
local terms energy: -289.315373
where:
bonds (distance) C4'-P energy: -42.288
bonds (distance) P-C4' energy: -72.051
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -82.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -681.909472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.909472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.909472 (E_RNA)
where:
Base-Base interactions energy: -410.842
where: short stacking energy: -202.052
Base-Backbone interact. energy: 1.254
local terms energy: -272.321384
where:
bonds (distance) C4'-P energy: -58.771
bonds (distance) P-C4' energy: -62.932
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -36.226
tors. eta vs tors. theta energy: -49.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -392.717529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.717529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.717529 (E_RNA)
where:
Base-Base interactions energy: -193.817
where: short stacking energy: -115.588
Base-Backbone interact. energy: 0.615
local terms energy: -199.514862
where:
bonds (distance) C4'-P energy: -61.305
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -55.149
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -313.394886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.394886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.394886 (E_RNA)
where:
Base-Base interactions energy: -114.966
where: short stacking energy: -80.933
Base-Backbone interact. energy: 1.217
local terms energy: -199.645520
where:
bonds (distance) C4'-P energy: -63.466
bonds (distance) P-C4' energy: -60.885
flat angles C4'-P-C4' energy: -51.097
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: 0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -272.591201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.591201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.591201 (E_RNA)
where:
Base-Base interactions energy: -97.656
where: short stacking energy: -61.667
Base-Backbone interact. energy: 1.853
local terms energy: -176.788425
where:
bonds (distance) C4'-P energy: -39.167
bonds (distance) P-C4' energy: -55.463
flat angles C4'-P-C4' energy: -50.558
flat angles P-C4'-P energy: -33.237
tors. eta vs tors. theta energy: 1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -260.798728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.798728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.798728 (E_RNA)
where:
Base-Base interactions energy: -83.463
where: short stacking energy: -61.376
Base-Backbone interact. energy: -0.693
local terms energy: -176.643159
where:
bonds (distance) C4'-P energy: -59.753
bonds (distance) P-C4' energy: -57.782
flat angles C4'-P-C4' energy: -46.542
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: 14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1115.015167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.015167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.015167 (E_RNA)
where:
Base-Base interactions energy: -738.451
where: short stacking energy: -338.923
Base-Backbone interact. energy: 0.338
local terms energy: -376.902856
where:
bonds (distance) C4'-P energy: -64.754
bonds (distance) P-C4' energy: -68.587
flat angles C4'-P-C4' energy: -74.298
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: -115.505
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: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1046.605425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.605425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.605425 (E_RNA)
where:
Base-Base interactions energy: -714.993
where: short stacking energy: -286.186
Base-Backbone interact. energy: -2.523
local terms energy: -329.089287
where:
bonds (distance) C4'-P energy: -50.437
bonds (distance) P-C4' energy: -73.480
flat angles C4'-P-C4' energy: -67.568
flat angles P-C4'-P energy: -51.818
tors. eta vs tors. theta energy: -85.785
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: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -984.906407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.906407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.906407 (E_RNA)
where:
Base-Base interactions energy: -652.785
where: short stacking energy: -290.514
Base-Backbone interact. energy: 2.857
local terms energy: -334.978018
where:
bonds (distance) C4'-P energy: -52.603
bonds (distance) P-C4' energy: -65.530
flat angles C4'-P-C4' energy: -69.562
flat angles P-C4'-P energy: -49.721
tors. eta vs tors. theta energy: -97.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -971.629561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.629561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.629561 (E_RNA)
where:
Base-Base interactions energy: -660.113
where: short stacking energy: -283.504
Base-Backbone interact. energy: -0.308
local terms energy: -311.208253
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -72.158
flat angles C4'-P-C4' energy: -66.025
flat angles P-C4'-P energy: -46.422
tors. eta vs tors. theta energy: -83.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -854.895881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.895881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.895881 (E_RNA)
where:
Base-Base interactions energy: -541.237
where: short stacking energy: -225.776
Base-Backbone interact. energy: 1.757
local terms energy: -315.415684
where:
bonds (distance) C4'-P energy: -59.572
bonds (distance) P-C4' energy: -65.443
flat angles C4'-P-C4' energy: -68.588
flat angles P-C4'-P energy: -54.564
tors. eta vs tors. theta energy: -67.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -672.817164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.817164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.817164 (E_RNA)
where:
Base-Base interactions energy: -423.297
where: short stacking energy: -201.780
Base-Backbone interact. energy: 3.479
local terms energy: -252.999183
where:
bonds (distance) C4'-P energy: -42.057
bonds (distance) P-C4' energy: -53.540
flat angles C4'-P-C4' energy: -66.690
flat angles P-C4'-P energy: -43.264
tors. eta vs tors. theta energy: -47.450
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: 477
Temperature: 1.200000
Total energy: -329.972893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.972893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.972893 (E_RNA)
where:
Base-Base interactions energy: -132.541
where: short stacking energy: -116.977
Base-Backbone interact. energy: 0.771
local terms energy: -198.203417
where:
bonds (distance) C4'-P energy: -53.621
bonds (distance) P-C4' energy: -57.514
flat angles C4'-P-C4' energy: -59.059
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -287.629268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.629268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.629268 (E_RNA)
where:
Base-Base interactions energy: -96.984
where: short stacking energy: -68.481
Base-Backbone interact. energy: -1.351
local terms energy: -189.294343
where:
bonds (distance) C4'-P energy: -61.685
bonds (distance) P-C4' energy: -62.183
flat angles C4'-P-C4' energy: -44.672
flat angles P-C4'-P energy: -43.102
tors. eta vs tors. theta energy: 22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -275.482774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.482774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.482774 (E_RNA)
where:
Base-Base interactions energy: -96.285
where: short stacking energy: -75.829
Base-Backbone interact. energy: -0.821
local terms energy: -178.376626
where:
bonds (distance) C4'-P energy: -62.832
bonds (distance) P-C4' energy: -62.539
flat angles C4'-P-C4' energy: -45.989
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: 11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -267.479189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.479189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.479189 (E_RNA)
where:
Base-Base interactions energy: -102.326
where: short stacking energy: -67.325
Base-Backbone interact. energy: 2.010
local terms energy: -167.163345
where:
bonds (distance) C4'-P energy: -55.164
bonds (distance) P-C4' energy: -50.429
flat angles C4'-P-C4' energy: -46.844
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: 14.053
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: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1084.034203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.034203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.034203 (E_RNA)
where:
Base-Base interactions energy: -741.192
where: short stacking energy: -301.671
Base-Backbone interact. energy: 0.666
local terms energy: -343.508981
where:
bonds (distance) C4'-P energy: -75.464
bonds (distance) P-C4' energy: -69.203
flat angles C4'-P-C4' energy: -76.198
flat angles P-C4'-P energy: -32.013
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: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1048.904332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.904332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.904332 (E_RNA)
where:
Base-Base interactions energy: -693.414
where: short stacking energy: -310.732
Base-Backbone interact. energy: -0.585
local terms energy: -354.905103
where:
bonds (distance) C4'-P energy: -57.943
bonds (distance) P-C4' energy: -68.932
flat angles C4'-P-C4' energy: -71.741
flat angles P-C4'-P energy: -48.939
tors. eta vs tors. theta energy: -107.349
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: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -986.383715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.383715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.383715 (E_RNA)
where:
Base-Base interactions energy: -641.334
where: short stacking energy: -295.979
Base-Backbone interact. energy: -0.643
local terms energy: -344.406691
where:
bonds (distance) C4'-P energy: -66.574
bonds (distance) P-C4' energy: -67.572
flat angles C4'-P-C4' energy: -69.478
flat angles P-C4'-P energy: -37.775
tors. eta vs tors. theta energy: -103.006
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: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -985.866277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.866277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.866277 (E_RNA)
where:
Base-Base interactions energy: -643.288
where: short stacking energy: -266.362
Base-Backbone interact. energy: -0.485
local terms energy: -342.093570
where:
bonds (distance) C4'-P energy: -63.151
bonds (distance) P-C4' energy: -65.780
flat angles C4'-P-C4' energy: -80.636
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -87.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -815.445405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.445405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.445405 (E_RNA)
where:
Base-Base interactions energy: -539.510
where: short stacking energy: -220.572
Base-Backbone interact. energy: 1.449
local terms energy: -277.383630
where:
bonds (distance) C4'-P energy: -56.462
bonds (distance) P-C4' energy: -57.275
flat angles C4'-P-C4' energy: -50.163
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -70.916
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: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -633.489937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.489937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.489937 (E_RNA)
where:
Base-Base interactions energy: -393.529
where: short stacking energy: -160.206
Base-Backbone interact. energy: -1.046
local terms energy: -238.914818
where:
bonds (distance) C4'-P energy: -62.632
bonds (distance) P-C4' energy: -61.466
flat angles C4'-P-C4' energy: -49.512
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -36.871
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: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -302.249077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.249077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.249077 (E_RNA)
where:
Base-Base interactions energy: -103.463
where: short stacking energy: -63.849
Base-Backbone interact. energy: -1.773
local terms energy: -197.012994
where:
bonds (distance) C4'-P energy: -54.279
bonds (distance) P-C4' energy: -67.431
flat angles C4'-P-C4' energy: -62.282
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: 15.228
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: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -302.693743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.693743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.693743 (E_RNA)
where:
Base-Base interactions energy: -107.988
where: short stacking energy: -92.037
Base-Backbone interact. energy: -1.926
local terms energy: -192.779201
where:
bonds (distance) C4'-P energy: -48.855
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -49.447
flat angles P-C4'-P energy: -32.547
tors. eta vs tors. theta energy: -9.735
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: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -288.453244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.453244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.453244 (E_RNA)
where:
Base-Base interactions energy: -97.815
where: short stacking energy: -73.574
Base-Backbone interact. energy: 3.422
local terms energy: -194.060318
where:
bonds (distance) C4'-P energy: -69.129
bonds (distance) P-C4' energy: -61.328
flat angles C4'-P-C4' energy: -50.691
flat angles P-C4'-P energy: -24.200
tors. eta vs tors. theta energy: 11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -268.280340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.280340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.280340 (E_RNA)
where:
Base-Base interactions energy: -71.719
where: short stacking energy: -58.904
Base-Backbone interact. energy: -1.398
local terms energy: -195.743402
where:
bonds (distance) C4'-P energy: -68.042
bonds (distance) P-C4' energy: -67.633
flat angles C4'-P-C4' energy: -54.282
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: 19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.580 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1080.010290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.010290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.010290 (E_RNA)
where:
Base-Base interactions energy: -724.983
where: short stacking energy: -288.127
Base-Backbone interact. energy: -3.065
local terms energy: -351.962342
where:
bonds (distance) C4'-P energy: -57.144
bonds (distance) P-C4' energy: -74.545
flat angles C4'-P-C4' energy: -70.570
flat angles P-C4'-P energy: -60.547
tors. eta vs tors. theta energy: -89.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1063.861954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.861954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.861954 (E_RNA)
where:
Base-Base interactions energy: -692.652
where: short stacking energy: -315.752
Base-Backbone interact. energy: -0.591
local terms energy: -370.618682
where:
bonds (distance) C4'-P energy: -59.913
bonds (distance) P-C4' energy: -66.879
flat angles C4'-P-C4' energy: -83.949
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -111.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -992.685588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.685588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.685588 (E_RNA)
where:
Base-Base interactions energy: -669.024
where: short stacking energy: -305.512
Base-Backbone interact. energy: -0.053
local terms energy: -323.608047
where:
bonds (distance) C4'-P energy: -52.338
bonds (distance) P-C4' energy: -52.429
flat angles C4'-P-C4' energy: -72.744
flat angles P-C4'-P energy: -47.221
tors. eta vs tors. theta energy: -98.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -917.052969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.052969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.052969 (E_RNA)
where:
Base-Base interactions energy: -617.582
where: short stacking energy: -274.182
Base-Backbone interact. energy: 0.867
local terms energy: -300.337579
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -51.955
flat angles C4'-P-C4' energy: -60.093
flat angles P-C4'-P energy: -48.610
tors. eta vs tors. theta energy: -79.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -781.358813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.358813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.358813 (E_RNA)
where:
Base-Base interactions energy: -510.298
where: short stacking energy: -209.707
Base-Backbone interact. energy: 1.332
local terms energy: -272.392658
where:
bonds (distance) C4'-P energy: -64.166
bonds (distance) P-C4' energy: -54.006
flat angles C4'-P-C4' energy: -63.773
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -50.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -616.993435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.993435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.993435 (E_RNA)
where:
Base-Base interactions energy: -368.614
where: short stacking energy: -145.486
Base-Backbone interact. energy: -2.125
local terms energy: -246.254449
where:
bonds (distance) C4'-P energy: -60.171
bonds (distance) P-C4' energy: -61.460
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -25.899
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: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -334.622227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.622227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.622227 (E_RNA)
where:
Base-Base interactions energy: -122.310
where: short stacking energy: -85.894
Base-Backbone interact. energy: 2.286
local terms energy: -214.598136
where:
bonds (distance) C4'-P energy: -59.524
bonds (distance) P-C4' energy: -65.160
flat angles C4'-P-C4' energy: -57.132
flat angles P-C4'-P energy: -33.042
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -290.574490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.574490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.574490 (E_RNA)
where:
Base-Base interactions energy: -90.200
where: short stacking energy: -74.669
Base-Backbone interact. energy: -1.008
local terms energy: -199.366693
where:
bonds (distance) C4'-P energy: -46.437
bonds (distance) P-C4' energy: -69.398
flat angles C4'-P-C4' energy: -47.379
flat angles P-C4'-P energy: -33.337
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -333.505250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.505250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.505250 (E_RNA)
where:
Base-Base interactions energy: -158.459
where: short stacking energy: -69.638
Base-Backbone interact. energy: 3.017
local terms energy: -178.063164
where:
bonds (distance) C4'-P energy: -44.658
bonds (distance) P-C4' energy: -63.009
flat angles C4'-P-C4' energy: -57.693
flat angles P-C4'-P energy: -25.002
tors. eta vs tors. theta energy: 12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -243.685716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.685716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.685716 (E_RNA)
where:
Base-Base interactions energy: -71.115
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.125
local terms energy: -172.445845
where:
bonds (distance) C4'-P energy: -48.850
bonds (distance) P-C4' energy: -55.894
flat angles C4'-P-C4' energy: -49.658
flat angles P-C4'-P energy: -23.421
tors. eta vs tors. theta energy: 5.377
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: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1094.542465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.542465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.542465 (E_RNA)
where:
Base-Base interactions energy: -740.845
where: short stacking energy: -270.873
Base-Backbone interact. energy: -2.139
local terms energy: -351.558424
where:
bonds (distance) C4'-P energy: -67.916
bonds (distance) P-C4' energy: -66.782
flat angles C4'-P-C4' energy: -68.297
flat angles P-C4'-P energy: -56.541
tors. eta vs tors. theta energy: -92.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1052.263135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.263135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.263135 (E_RNA)
where:
Base-Base interactions energy: -695.817
where: short stacking energy: -325.283
Base-Backbone interact. energy: 0.361
local terms energy: -356.806925
where:
bonds (distance) C4'-P energy: -59.588
bonds (distance) P-C4' energy: -63.372
flat angles C4'-P-C4' energy: -76.194
flat angles P-C4'-P energy: -47.061
tors. eta vs tors. theta energy: -110.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1011.715728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.715728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.715728 (E_RNA)
where:
Base-Base interactions energy: -656.713
where: short stacking energy: -297.534
Base-Backbone interact. energy: -0.251
local terms energy: -354.751722
where:
bonds (distance) C4'-P energy: -59.184
bonds (distance) P-C4' energy: -66.590
flat angles C4'-P-C4' energy: -72.587
flat angles P-C4'-P energy: -54.271
tors. eta vs tors. theta energy: -102.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -954.201915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.201915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.201915 (E_RNA)
where:
Base-Base interactions energy: -625.818
where: short stacking energy: -266.633
Base-Backbone interact. energy: -0.974
local terms energy: -327.410155
where:
bonds (distance) C4'-P energy: -63.598
bonds (distance) P-C4' energy: -68.873
flat angles C4'-P-C4' energy: -69.507
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: -87.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -804.012762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.012762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.012762 (E_RNA)
where:
Base-Base interactions energy: -517.755
where: short stacking energy: -204.390
Base-Backbone interact. energy: -1.549
local terms energy: -284.709212
where:
bonds (distance) C4'-P energy: -65.352
bonds (distance) P-C4' energy: -61.917
flat angles C4'-P-C4' energy: -66.069
flat angles P-C4'-P energy: -31.961
tors. eta vs tors. theta energy: -59.411
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: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -528.947437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.947437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.947437 (E_RNA)
where:
Base-Base interactions energy: -304.391
where: short stacking energy: -144.341
Base-Backbone interact. energy: 1.307
local terms energy: -225.863458
where:
bonds (distance) C4'-P energy: -57.526
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -49.238
flat angles P-C4'-P energy: -35.343
tors. eta vs tors. theta energy: -26.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -340.871019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.871019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.871019 (E_RNA)
where:
Base-Base interactions energy: -161.229
where: short stacking energy: -93.256
Base-Backbone interact. energy: -1.279
local terms energy: -178.362698
where:
bonds (distance) C4'-P energy: -52.701
bonds (distance) P-C4' energy: -57.687
flat angles C4'-P-C4' energy: -48.686
flat angles P-C4'-P energy: -28.246
tors. eta vs tors. theta energy: 8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -317.852079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.852079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.852079 (E_RNA)
where:
Base-Base interactions energy: -134.072
where: short stacking energy: -78.428
Base-Backbone interact. energy: -1.120
local terms energy: -182.660004
where:
bonds (distance) C4'-P energy: -53.405
bonds (distance) P-C4' energy: -58.131
flat angles C4'-P-C4' energy: -43.542
flat angles P-C4'-P energy: -33.653
tors. eta vs tors. theta energy: 6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -278.794157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.794157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.794157 (E_RNA)
where:
Base-Base interactions energy: -94.395
where: short stacking energy: -76.656
Base-Backbone interact. energy: 0.908
local terms energy: -185.306744
where:
bonds (distance) C4'-P energy: -36.092
bonds (distance) P-C4' energy: -72.115
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -32.282
tors. eta vs tors. theta energy: 6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -278.317772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.317772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.317772 (E_RNA)
where:
Base-Base interactions energy: -101.571
where: short stacking energy: -66.352
Base-Backbone interact. energy: 0.010
local terms energy: -176.756500
where:
bonds (distance) C4'-P energy: -55.103
bonds (distance) P-C4' energy: -60.432
flat angles C4'-P-C4' energy: -49.839
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: 10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1091.813349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.813349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.813349 (E_RNA)
where:
Base-Base interactions energy: -749.432
where: short stacking energy: -304.811
Base-Backbone interact. energy: -3.420
local terms energy: -338.961347
where:
bonds (distance) C4'-P energy: -68.495
bonds (distance) P-C4' energy: -55.821
flat angles C4'-P-C4' energy: -77.157
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -95.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1054.104054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.104054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.104054 (E_RNA)
where:
Base-Base interactions energy: -700.901
where: short stacking energy: -310.459
Base-Backbone interact. energy: -0.097
local terms energy: -353.105690
where:
bonds (distance) C4'-P energy: -72.214
bonds (distance) P-C4' energy: -55.481
flat angles C4'-P-C4' energy: -72.854
flat angles P-C4'-P energy: -50.555
tors. eta vs tors. theta energy: -102.001
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: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -997.288207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.288207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.288207 (E_RNA)
where:
Base-Base interactions energy: -662.568
where: short stacking energy: -299.177
Base-Backbone interact. energy: -0.770
local terms energy: -333.950565
where:
bonds (distance) C4'-P energy: -67.735
bonds (distance) P-C4' energy: -69.631
flat angles C4'-P-C4' energy: -63.885
flat angles P-C4'-P energy: -40.632
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: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -962.679630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.679630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.679630 (E_RNA)
where:
Base-Base interactions energy: -642.143
where: short stacking energy: -273.397
Base-Backbone interact. energy: -0.388
local terms energy: -320.148322
where:
bonds (distance) C4'-P energy: -58.203
bonds (distance) P-C4' energy: -61.078
flat angles C4'-P-C4' energy: -70.732
flat angles P-C4'-P energy: -39.214
tors. eta vs tors. theta energy: -90.921
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: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -808.090549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.090549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.090549 (E_RNA)
where:
Base-Base interactions energy: -521.879
where: short stacking energy: -228.392
Base-Backbone interact. energy: -0.881
local terms energy: -285.330145
where:
bonds (distance) C4'-P energy: -63.732
bonds (distance) P-C4' energy: -58.179
flat angles C4'-P-C4' energy: -71.466
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -54.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -361.955409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.955409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.955409 (E_RNA)
where:
Base-Base interactions energy: -144.515
where: short stacking energy: -110.586
Base-Backbone interact. energy: -0.333
local terms energy: -217.107676
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -62.377
flat angles C4'-P-C4' energy: -60.284
flat angles P-C4'-P energy: -41.443
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -419.754098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.754098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.754098 (E_RNA)
where:
Base-Base interactions energy: -214.853
where: short stacking energy: -106.020
Base-Backbone interact. energy: -0.635
local terms energy: -204.266155
where:
bonds (distance) C4'-P energy: -55.044
bonds (distance) P-C4' energy: -58.726
flat angles C4'-P-C4' energy: -43.892
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -341.186311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.186311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.186311 (E_RNA)
where:
Base-Base interactions energy: -138.100
where: short stacking energy: -76.175
Base-Backbone interact. energy: -1.250
local terms energy: -201.836795
where:
bonds (distance) C4'-P energy: -57.936
bonds (distance) P-C4' energy: -62.282
flat angles C4'-P-C4' energy: -41.126
flat angles P-C4'-P energy: -44.595
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -282.502384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.502384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.502384 (E_RNA)
where:
Base-Base interactions energy: -98.135
where: short stacking energy: -79.811
Base-Backbone interact. energy: 0.725
local terms energy: -185.092250
where:
bonds (distance) C4'-P energy: -59.726
bonds (distance) P-C4' energy: -53.126
flat angles C4'-P-C4' energy: -53.929
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -268.912551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.912551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.912551 (E_RNA)
where:
Base-Base interactions energy: -100.625
where: short stacking energy: -60.767
Base-Backbone interact. energy: 0.216
local terms energy: -168.503472
where:
bonds (distance) C4'-P energy: -61.456
bonds (distance) P-C4' energy: -44.669
flat angles C4'-P-C4' energy: -39.958
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: 11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1101.770422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.770422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.770422 (E_RNA)
where:
Base-Base interactions energy: -737.669
where: short stacking energy: -310.289
Base-Backbone interact. energy: -2.895
local terms energy: -361.206823
where:
bonds (distance) C4'-P energy: -70.587
bonds (distance) P-C4' energy: -60.133
flat angles C4'-P-C4' energy: -76.541
flat angles P-C4'-P energy: -50.383
tors. eta vs tors. theta energy: -103.563
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: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1063.649257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.649257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.649257 (E_RNA)
where:
Base-Base interactions energy: -695.000
where: short stacking energy: -325.871
Base-Backbone interact. energy: -0.132
local terms energy: -368.517187
where:
bonds (distance) C4'-P energy: -59.674
bonds (distance) P-C4' energy: -64.194
flat angles C4'-P-C4' energy: -78.725
flat angles P-C4'-P energy: -55.798
tors. eta vs tors. theta energy: -110.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -999.047037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.047037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.047037 (E_RNA)
where:
Base-Base interactions energy: -687.388
where: short stacking energy: -278.609
Base-Backbone interact. energy: -1.625
local terms energy: -310.034321
where:
bonds (distance) C4'-P energy: -45.021
bonds (distance) P-C4' energy: -60.814
flat angles C4'-P-C4' energy: -67.566
flat angles P-C4'-P energy: -50.598
tors. eta vs tors. theta energy: -86.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -958.768609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.768609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.768609 (E_RNA)
where:
Base-Base interactions energy: -633.312
where: short stacking energy: -284.705
Base-Backbone interact. energy: -0.760
local terms energy: -324.697368
where:
bonds (distance) C4'-P energy: -54.888
bonds (distance) P-C4' energy: -66.883
flat angles C4'-P-C4' energy: -74.398
flat angles P-C4'-P energy: -39.001
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: 5, replica: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -828.049559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.049559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.049559 (E_RNA)
where:
Base-Base interactions energy: -530.871
where: short stacking energy: -241.087
Base-Backbone interact. energy: 2.778
local terms energy: -299.957218
where:
bonds (distance) C4'-P energy: -62.909
bonds (distance) P-C4' energy: -66.461
flat angles C4'-P-C4' energy: -66.613
flat angles P-C4'-P energy: -42.856
tors. eta vs tors. theta energy: -61.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -380.632829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.632829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.632829 (E_RNA)
where:
Base-Base interactions energy: -159.417
where: short stacking energy: -113.497
Base-Backbone interact. energy: -0.982
local terms energy: -220.471118
where:
bonds (distance) C4'-P energy: -67.840
bonds (distance) P-C4' energy: -58.034
flat angles C4'-P-C4' energy: -53.984
flat angles P-C4'-P energy: -33.347
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.237 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -401.635910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.635910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.635910 (E_RNA)
where:
Base-Base interactions energy: -196.502
where: short stacking energy: -105.523
Base-Backbone interact. energy: -0.624
local terms energy: -204.510014
where:
bonds (distance) C4'-P energy: -57.834
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -29.544
tors. eta vs tors. theta energy: -2.984
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: 482
Temperature: 1.250000
Total energy: -309.632457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.632457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.632457 (E_RNA)
where:
Base-Base interactions energy: -109.012
where: short stacking energy: -65.515
Base-Backbone interact. energy: -1.856
local terms energy: -198.764956
where:
bonds (distance) C4'-P energy: -52.899
bonds (distance) P-C4' energy: -66.303
flat angles C4'-P-C4' energy: -58.155
flat angles P-C4'-P energy: -36.303
tors. eta vs tors. theta energy: 14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -310.472194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.472194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.472194 (E_RNA)
where:
Base-Base interactions energy: -120.974
where: short stacking energy: -81.361
Base-Backbone interact. energy: -1.250
local terms energy: -188.248714
where:
bonds (distance) C4'-P energy: -52.871
bonds (distance) P-C4' energy: -59.183
flat angles C4'-P-C4' energy: -49.205
flat angles P-C4'-P energy: -32.749
tors. eta vs tors. theta energy: 5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -257.549831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.549831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.549831 (E_RNA)
where:
Base-Base interactions energy: -84.947
where: short stacking energy: -68.114
Base-Backbone interact. energy: 0.395
local terms energy: -172.998343
where:
bonds (distance) C4'-P energy: -64.031
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -41.317
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: 5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1094.185005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.185005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.185005 (E_RNA)
where:
Base-Base interactions energy: -740.140
where: short stacking energy: -307.952
Base-Backbone interact. energy: -3.038
local terms energy: -351.007369
where:
bonds (distance) C4'-P energy: -68.823
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -70.676
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: -102.423
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: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1055.619402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.619402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.619402 (E_RNA)
where:
Base-Base interactions energy: -702.489
where: short stacking energy: -310.875
Base-Backbone interact. energy: -0.895
local terms energy: -352.235555
where:
bonds (distance) C4'-P energy: -62.218
bonds (distance) P-C4' energy: -69.903
flat angles C4'-P-C4' energy: -72.233
flat angles P-C4'-P energy: -43.444
tors. eta vs tors. theta energy: -104.439
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: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -975.934252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.934252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.934252 (E_RNA)
where:
Base-Base interactions energy: -652.484
where: short stacking energy: -268.616
Base-Backbone interact. energy: 1.862
local terms energy: -325.312809
where:
bonds (distance) C4'-P energy: -65.289
bonds (distance) P-C4' energy: -66.014
flat angles C4'-P-C4' energy: -66.630
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -87.995
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: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -961.768911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.768911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.768911 (E_RNA)
where:
Base-Base interactions energy: -631.028
where: short stacking energy: -282.240
Base-Backbone interact. energy: 3.497
local terms energy: -334.237687
where:
bonds (distance) C4'-P energy: -69.935
bonds (distance) P-C4' energy: -56.340
flat angles C4'-P-C4' energy: -66.155
flat angles P-C4'-P energy: -55.072
tors. eta vs tors. theta energy: -86.736
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: 483
Temperature: 1.100000
Total energy: -808.337086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.337086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.337086 (E_RNA)
where:
Base-Base interactions energy: -525.678
where: short stacking energy: -220.748
Base-Backbone interact. energy: -0.951
local terms energy: -281.708982
where:
bonds (distance) C4'-P energy: -70.829
bonds (distance) P-C4' energy: -62.889
flat angles C4'-P-C4' energy: -64.592
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: -50.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -447.987065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.987065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.987065 (E_RNA)
where:
Base-Base interactions energy: -215.368
where: short stacking energy: -103.250
Base-Backbone interact. energy: -2.582
local terms energy: -230.036665
where:
bonds (distance) C4'-P energy: -54.811
bonds (distance) P-C4' energy: -62.976
flat angles C4'-P-C4' energy: -59.919
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -342.703106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.703106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.703106 (E_RNA)
where:
Base-Base interactions energy: -152.302
where: short stacking energy: -93.870
Base-Backbone interact. energy: 2.064
local terms energy: -192.465355
where:
bonds (distance) C4'-P energy: -50.785
bonds (distance) P-C4' energy: -69.626
flat angles C4'-P-C4' energy: -34.557
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -313.918180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.918180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.918180 (E_RNA)
where:
Base-Base interactions energy: -105.524
where: short stacking energy: -78.396
Base-Backbone interact. energy: -2.997
local terms energy: -205.397707
where:
bonds (distance) C4'-P energy: -54.768
bonds (distance) P-C4' energy: -63.607
flat angles C4'-P-C4' energy: -54.238
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -7.990
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: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -286.346452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.346452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.346452 (E_RNA)
where:
Base-Base interactions energy: -109.053
where: short stacking energy: -70.822
Base-Backbone interact. energy: 1.012
local terms energy: -178.305079
where:
bonds (distance) C4'-P energy: -53.092
bonds (distance) P-C4' energy: -54.078
flat angles C4'-P-C4' energy: -48.149
flat angles P-C4'-P energy: -42.892
tors. eta vs tors. theta energy: 19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -264.219824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.219824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.219824 (E_RNA)
where:
Base-Base interactions energy: -82.766
where: short stacking energy: -68.351
Base-Backbone interact. energy: -1.478
local terms energy: -179.975240
where:
bonds (distance) C4'-P energy: -60.559
bonds (distance) P-C4' energy: -55.360
flat angles C4'-P-C4' energy: -43.214
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: 7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1110.616723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.616723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.616723 (E_RNA)
where:
Base-Base interactions energy: -766.453
where: short stacking energy: -310.462
Base-Backbone interact. energy: -2.583
local terms energy: -341.579998
where:
bonds (distance) C4'-P energy: -63.442
bonds (distance) P-C4' energy: -59.971
flat angles C4'-P-C4' energy: -73.276
flat angles P-C4'-P energy: -44.919
tors. eta vs tors. theta energy: -99.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1072.236770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.236770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.236770 (E_RNA)
where:
Base-Base interactions energy: -703.164
where: short stacking energy: -331.648
Base-Backbone interact. energy: 0.361
local terms energy: -369.434307
where:
bonds (distance) C4'-P energy: -71.058
bonds (distance) P-C4' energy: -68.012
flat angles C4'-P-C4' energy: -71.720
flat angles P-C4'-P energy: -49.769
tors. eta vs tors. theta energy: -108.874
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: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -990.975099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.975099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.975099 (E_RNA)
where:
Base-Base interactions energy: -647.991
where: short stacking energy: -269.629
Base-Backbone interact. energy: -0.228
local terms energy: -342.755749
where:
bonds (distance) C4'-P energy: -70.055
bonds (distance) P-C4' energy: -68.722
flat angles C4'-P-C4' energy: -68.095
flat angles P-C4'-P energy: -45.256
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: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -975.328443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.328443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.328443 (E_RNA)
where:
Base-Base interactions energy: -624.203
where: short stacking energy: -297.396
Base-Backbone interact. energy: -0.184
local terms energy: -350.941744
where:
bonds (distance) C4'-P energy: -54.211
bonds (distance) P-C4' energy: -73.577
flat angles C4'-P-C4' energy: -71.110
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -102.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -807.312587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.312587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.312587 (E_RNA)
where:
Base-Base interactions energy: -517.695
where: short stacking energy: -221.920
Base-Backbone interact. energy: -0.990
local terms energy: -288.627325
where:
bonds (distance) C4'-P energy: -57.927
bonds (distance) P-C4' energy: -56.427
flat angles C4'-P-C4' energy: -57.226
flat angles P-C4'-P energy: -47.359
tors. eta vs tors. theta energy: -69.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -450.910109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.910109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.910109 (E_RNA)
where:
Base-Base interactions energy: -227.138
where: short stacking energy: -118.067
Base-Backbone interact. energy: 0.657
local terms energy: -224.429072
where:
bonds (distance) C4'-P energy: -70.961
bonds (distance) P-C4' energy: -56.320
flat angles C4'-P-C4' energy: -44.727
flat angles P-C4'-P energy: -43.719
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -383.991786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.991786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.991786 (E_RNA)
where:
Base-Base interactions energy: -185.434
where: short stacking energy: -122.494
Base-Backbone interact. energy: 0.204
local terms energy: -198.761384
where:
bonds (distance) C4'-P energy: -58.858
bonds (distance) P-C4' energy: -53.857
flat angles C4'-P-C4' energy: -54.581
flat angles P-C4'-P energy: -28.101
tors. eta vs tors. theta energy: -3.364
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: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -347.013150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.013150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.013150 (E_RNA)
where:
Base-Base interactions energy: -151.063
where: short stacking energy: -81.802
Base-Backbone interact. energy: 0.090
local terms energy: -196.039912
where:
bonds (distance) C4'-P energy: -62.358
bonds (distance) P-C4' energy: -53.568
flat angles C4'-P-C4' energy: -56.230
flat angles P-C4'-P energy: -31.225
tors. eta vs tors. theta energy: 7.342
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: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -271.753955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.753955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.753955 (E_RNA)
where:
Base-Base interactions energy: -86.329
where: short stacking energy: -64.739
Base-Backbone interact. energy: 1.230
local terms energy: -186.654616
where:
bonds (distance) C4'-P energy: -43.860
bonds (distance) P-C4' energy: -61.387
flat angles C4'-P-C4' energy: -53.844
flat angles P-C4'-P energy: -33.004
tors. eta vs tors. theta energy: 5.440
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: 484
Temperature: 1.350000
Total energy: -262.991579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.991579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.991579 (E_RNA)
where:
Base-Base interactions energy: -86.932
where: short stacking energy: -57.260
Base-Backbone interact. energy: -1.413
local terms energy: -174.646270
where:
bonds (distance) C4'-P energy: -47.095
bonds (distance) P-C4' energy: -55.033
flat angles C4'-P-C4' energy: -56.071
flat angles P-C4'-P energy: -36.107
tors. eta vs tors. theta energy: 19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1121.937839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.937839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.937839 (E_RNA)
where:
Base-Base interactions energy: -762.596
where: short stacking energy: -312.178
Base-Backbone interact. energy: -3.602
local terms energy: -355.739634
where:
bonds (distance) C4'-P energy: -61.087
bonds (distance) P-C4' energy: -69.997
flat angles C4'-P-C4' energy: -74.683
flat angles P-C4'-P energy: -44.817
tors. eta vs tors. theta energy: -105.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1060.755982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.755982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.755982 (E_RNA)
where:
Base-Base interactions energy: -708.894
where: short stacking energy: -295.017
Base-Backbone interact. energy: 0.332
local terms energy: -352.193024
where:
bonds (distance) C4'-P energy: -70.117
bonds (distance) P-C4' energy: -68.594
flat angles C4'-P-C4' energy: -74.216
flat angles P-C4'-P energy: -37.661
tors. eta vs tors. theta energy: -101.605
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: 485
Temperature: 1.000000
Total energy: -970.721005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.721005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.721005 (E_RNA)
where:
Base-Base interactions energy: -636.596
where: short stacking energy: -267.889
Base-Backbone interact. energy: -1.686
local terms energy: -332.439053
where:
bonds (distance) C4'-P energy: -69.166
bonds (distance) P-C4' energy: -75.202
flat angles C4'-P-C4' energy: -66.737
flat angles P-C4'-P energy: -37.032
tors. eta vs tors. theta energy: -84.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -980.581873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.581873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.581873 (E_RNA)
where:
Base-Base interactions energy: -638.012
where: short stacking energy: -285.261
Base-Backbone interact. energy: 2.766
local terms energy: -345.335867
where:
bonds (distance) C4'-P energy: -59.854
bonds (distance) P-C4' energy: -69.227
flat angles C4'-P-C4' energy: -67.216
flat angles P-C4'-P energy: -50.483
tors. eta vs tors. theta energy: -98.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -800.721377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.721377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.721377 (E_RNA)
where:
Base-Base interactions energy: -500.190
where: short stacking energy: -206.325
Base-Backbone interact. energy: 5.145
local terms energy: -305.677299
where:
bonds (distance) C4'-P energy: -75.253
bonds (distance) P-C4' energy: -58.487
flat angles C4'-P-C4' energy: -69.749
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: -56.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -515.919365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.919365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.919365 (E_RNA)
where:
Base-Base interactions energy: -257.723
where: short stacking energy: -135.119
Base-Backbone interact. energy: 0.939
local terms energy: -259.135117
where:
bonds (distance) C4'-P energy: -60.355
bonds (distance) P-C4' energy: -69.560
flat angles C4'-P-C4' energy: -58.106
flat angles P-C4'-P energy: -46.351
tors. eta vs tors. theta energy: -24.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -334.745809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.745809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.745809 (E_RNA)
where:
Base-Base interactions energy: -161.564
where: short stacking energy: -76.788
Base-Backbone interact. energy: -0.162
local terms energy: -173.020681
where:
bonds (distance) C4'-P energy: -55.554
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -45.054
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: 4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -306.148826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.148826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.148826 (E_RNA)
where:
Base-Base interactions energy: -98.779
where: short stacking energy: -76.339
Base-Backbone interact. energy: -1.676
local terms energy: -205.694242
where:
bonds (distance) C4'-P energy: -63.617
bonds (distance) P-C4' energy: -59.526
flat angles C4'-P-C4' energy: -56.081
flat angles P-C4'-P energy: -28.573
tors. eta vs tors. theta energy: 2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -286.731849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.731849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.731849 (E_RNA)
where:
Base-Base interactions energy: -109.701
where: short stacking energy: -79.721
Base-Backbone interact. energy: -0.117
local terms energy: -176.913755
where:
bonds (distance) C4'-P energy: -42.621
bonds (distance) P-C4' energy: -61.140
flat angles C4'-P-C4' energy: -55.407
flat angles P-C4'-P energy: -28.862
tors. eta vs tors. theta energy: 11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -251.805967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.805967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.805967 (E_RNA)
where:
Base-Base interactions energy: -92.493
where: short stacking energy: -67.524
Base-Backbone interact. energy: 1.309
local terms energy: -160.622168
where:
bonds (distance) C4'-P energy: -61.925
bonds (distance) P-C4' energy: -63.164
flat angles C4'-P-C4' energy: -39.907
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: 23.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1090.350326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.350326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.350326 (E_RNA)
where:
Base-Base interactions energy: -712.152
where: short stacking energy: -328.726
Base-Backbone interact. energy: -0.407
local terms energy: -377.791145
where:
bonds (distance) C4'-P energy: -67.641
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -79.127
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: -114.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1068.097494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.097494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.097494 (E_RNA)
where:
Base-Base interactions energy: -727.120
where: short stacking energy: -311.088
Base-Backbone interact. energy: -0.565
local terms energy: -340.412381
where:
bonds (distance) C4'-P energy: -53.197
bonds (distance) P-C4' energy: -64.637
flat angles C4'-P-C4' energy: -72.392
flat angles P-C4'-P energy: -46.254
tors. eta vs tors. theta energy: -103.933
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: 486
Temperature: 1.000000
Total energy: -966.716131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.716131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.716131 (E_RNA)
where:
Base-Base interactions energy: -634.804
where: short stacking energy: -274.498
Base-Backbone interact. energy: -0.605
local terms energy: -331.306563
where:
bonds (distance) C4'-P energy: -69.336
bonds (distance) P-C4' energy: -63.268
flat angles C4'-P-C4' energy: -66.523
flat angles P-C4'-P energy: -39.396
tors. eta vs tors. theta energy: -92.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -974.632567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.632567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.632567 (E_RNA)
where:
Base-Base interactions energy: -635.850
where: short stacking energy: -263.931
Base-Backbone interact. energy: -0.379
local terms energy: -338.605487
where:
bonds (distance) C4'-P energy: -58.763
bonds (distance) P-C4' energy: -69.886
flat angles C4'-P-C4' energy: -66.535
flat angles P-C4'-P energy: -46.715
tors. eta vs tors. theta energy: -96.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.202 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -799.820982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.820982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.820982 (E_RNA)
where:
Base-Base interactions energy: -535.270
where: short stacking energy: -213.060
Base-Backbone interact. energy: -0.244
local terms energy: -264.306860
where:
bonds (distance) C4'-P energy: -61.677
bonds (distance) P-C4' energy: -52.117
flat angles C4'-P-C4' energy: -55.981
flat angles P-C4'-P energy: -36.293
tors. eta vs tors. theta energy: -58.239
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: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -499.655937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.655937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.655937 (E_RNA)
where:
Base-Base interactions energy: -269.061
where: short stacking energy: -138.304
Base-Backbone interact. energy: -2.360
local terms energy: -228.235382
where:
bonds (distance) C4'-P energy: -59.694
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -64.001
flat angles P-C4'-P energy: -31.025
tors. eta vs tors. theta energy: -22.477
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: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -333.818086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.818086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.818086 (E_RNA)
where:
Base-Base interactions energy: -131.944
where: short stacking energy: -93.862
Base-Backbone interact. energy: -1.946
local terms energy: -199.928082
where:
bonds (distance) C4'-P energy: -48.768
bonds (distance) P-C4' energy: -58.067
flat angles C4'-P-C4' energy: -65.356
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: 4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -320.928885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.928885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.928885 (E_RNA)
where:
Base-Base interactions energy: -131.670
where: short stacking energy: -90.292
Base-Backbone interact. energy: -1.177
local terms energy: -188.082095
where:
bonds (distance) C4'-P energy: -45.139
bonds (distance) P-C4' energy: -51.229
flat angles C4'-P-C4' energy: -52.848
flat angles P-C4'-P energy: -35.907
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -277.393580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.393580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.393580 (E_RNA)
where:
Base-Base interactions energy: -106.744
where: short stacking energy: -69.716
Base-Backbone interact. energy: -2.150
local terms energy: -168.500356
where:
bonds (distance) C4'-P energy: -50.423
bonds (distance) P-C4' energy: -54.751
flat angles C4'-P-C4' energy: -39.817
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: 14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -268.058953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.058953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.058953 (E_RNA)
where:
Base-Base interactions energy: -79.118
where: short stacking energy: -71.642
Base-Backbone interact. energy: 2.752
local terms energy: -191.692389
where:
bonds (distance) C4'-P energy: -49.940
bonds (distance) P-C4' energy: -63.757
flat angles C4'-P-C4' energy: -61.949
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: 9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1086.439575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.439575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.439575 (E_RNA)
where:
Base-Base interactions energy: -718.537
where: short stacking energy: -304.678
Base-Backbone interact. energy: -0.401
local terms energy: -367.501804
where:
bonds (distance) C4'-P energy: -61.801
bonds (distance) P-C4' energy: -63.924
flat angles C4'-P-C4' energy: -77.442
flat angles P-C4'-P energy: -54.904
tors. eta vs tors. theta energy: -109.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1061.279806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.279806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.279806 (E_RNA)
where:
Base-Base interactions energy: -712.588
where: short stacking energy: -302.928
Base-Backbone interact. energy: -3.283
local terms energy: -346.525798
where:
bonds (distance) C4'-P energy: -55.310
bonds (distance) P-C4' energy: -71.416
flat angles C4'-P-C4' energy: -75.766
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -99.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.117 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -986.054642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.054642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.054642 (E_RNA)
where:
Base-Base interactions energy: -642.960
where: short stacking energy: -283.969
Base-Backbone interact. energy: -0.862
local terms energy: -342.232563
where:
bonds (distance) C4'-P energy: -63.630
bonds (distance) P-C4' energy: -57.664
flat angles C4'-P-C4' energy: -75.777
flat angles P-C4'-P energy: -50.926
tors. eta vs tors. theta energy: -94.235
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: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -996.493080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.493080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.493080 (E_RNA)
where:
Base-Base interactions energy: -647.965
where: short stacking energy: -291.099
Base-Backbone interact. energy: 0.621
local terms energy: -349.149320
where:
bonds (distance) C4'-P energy: -56.232
bonds (distance) P-C4' energy: -70.342
flat angles C4'-P-C4' energy: -71.379
flat angles P-C4'-P energy: -48.628
tors. eta vs tors. theta energy: -102.568
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: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -830.869967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.869967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.869967 (E_RNA)
where:
Base-Base interactions energy: -522.740
where: short stacking energy: -224.693
Base-Backbone interact. energy: -1.002
local terms energy: -307.128834
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -70.726
flat angles C4'-P-C4' energy: -68.939
flat angles P-C4'-P energy: -45.159
tors. eta vs tors. theta energy: -62.346
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: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -557.525856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.525856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.525856 (E_RNA)
where:
Base-Base interactions energy: -330.248
where: short stacking energy: -156.080
Base-Backbone interact. energy: -2.142
local terms energy: -225.136371
where:
bonds (distance) C4'-P energy: -44.999
bonds (distance) P-C4' energy: -72.347
flat angles C4'-P-C4' energy: -53.016
flat angles P-C4'-P energy: -26.113
tors. eta vs tors. theta energy: -28.662
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: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -335.662252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.662252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.662252 (E_RNA)
where:
Base-Base interactions energy: -117.120
where: short stacking energy: -99.992
Base-Backbone interact. energy: -0.583
local terms energy: -217.959174
where:
bonds (distance) C4'-P energy: -60.517
bonds (distance) P-C4' energy: -63.388
flat angles C4'-P-C4' energy: -50.053
flat angles P-C4'-P energy: -42.501
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -321.661405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.661405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.661405 (E_RNA)
where:
Base-Base interactions energy: -120.187
where: short stacking energy: -85.043
Base-Backbone interact. energy: 4.344
local terms energy: -205.817950
where:
bonds (distance) C4'-P energy: -59.790
bonds (distance) P-C4' energy: -62.477
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -276.024593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.024593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.024593 (E_RNA)
where:
Base-Base interactions energy: -81.769
where: short stacking energy: -76.194
Base-Backbone interact. energy: 2.416
local terms energy: -196.672321
where:
bonds (distance) C4'-P energy: -55.566
bonds (distance) P-C4' energy: -71.573
flat angles C4'-P-C4' energy: -48.130
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: 5.449
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: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -269.096279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.096279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.096279 (E_RNA)
where:
Base-Base interactions energy: -85.854
where: short stacking energy: -68.241
Base-Backbone interact. energy: -1.803
local terms energy: -181.439026
where:
bonds (distance) C4'-P energy: -54.815
bonds (distance) P-C4' energy: -56.033
flat angles C4'-P-C4' energy: -37.257
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1089.144983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.144983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.144983 (E_RNA)
where:
Base-Base interactions energy: -716.683
where: short stacking energy: -335.227
Base-Backbone interact. energy: -0.748
local terms energy: -371.713885
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -59.319
flat angles C4'-P-C4' energy: -81.995
flat angles P-C4'-P energy: -51.942
tors. eta vs tors. theta energy: -112.778
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: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1076.585376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.585376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.585376 (E_RNA)
where:
Base-Base interactions energy: -735.765
where: short stacking energy: -298.828
Base-Backbone interact. energy: -3.867
local terms energy: -336.952624
where:
bonds (distance) C4'-P energy: -65.079
bonds (distance) P-C4' energy: -62.188
flat angles C4'-P-C4' energy: -65.817
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -102.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -984.037201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.037201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.037201 (E_RNA)
where:
Base-Base interactions energy: -642.727
where: short stacking energy: -275.519
Base-Backbone interact. energy: 0.886
local terms energy: -342.196572
where:
bonds (distance) C4'-P energy: -62.328
bonds (distance) P-C4' energy: -68.959
flat angles C4'-P-C4' energy: -75.607
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -91.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -944.660576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.660576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.660576 (E_RNA)
where:
Base-Base interactions energy: -609.418
where: short stacking energy: -276.188
Base-Backbone interact. energy: -0.485
local terms energy: -334.757013
where:
bonds (distance) C4'-P energy: -65.078
bonds (distance) P-C4' energy: -62.664
flat angles C4'-P-C4' energy: -63.618
flat angles P-C4'-P energy: -50.822
tors. eta vs tors. theta energy: -92.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -867.528474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.528474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.528474 (E_RNA)
where:
Base-Base interactions energy: -560.508
where: short stacking energy: -252.843
Base-Backbone interact. energy: -0.581
local terms energy: -306.439476
where:
bonds (distance) C4'-P energy: -59.840
bonds (distance) P-C4' energy: -61.332
flat angles C4'-P-C4' energy: -66.596
flat angles P-C4'-P energy: -44.368
tors. eta vs tors. theta energy: -74.304
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: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -568.503290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.503290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.503290 (E_RNA)
where:
Base-Base interactions energy: -341.310
where: short stacking energy: -151.167
Base-Backbone interact. energy: -0.457
local terms energy: -226.736416
where:
bonds (distance) C4'-P energy: -64.258
bonds (distance) P-C4' energy: -56.859
flat angles C4'-P-C4' energy: -51.589
flat angles P-C4'-P energy: -39.523
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -317.479709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.479709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.479709 (E_RNA)
where:
Base-Base interactions energy: -139.506
where: short stacking energy: -83.417
Base-Backbone interact. energy: -0.424
local terms energy: -177.549057
where:
bonds (distance) C4'-P energy: -34.243
bonds (distance) P-C4' energy: -50.785
flat angles C4'-P-C4' energy: -52.855
flat angles P-C4'-P energy: -35.384
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -317.930320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.930320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.930320 (E_RNA)
where:
Base-Base interactions energy: -110.154
where: short stacking energy: -76.954
Base-Backbone interact. energy: -1.188
local terms energy: -206.588581
where:
bonds (distance) C4'-P energy: -57.076
bonds (distance) P-C4' energy: -66.575
flat angles C4'-P-C4' energy: -60.643
flat angles P-C4'-P energy: -30.880
tors. eta vs tors. theta energy: 8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -285.849262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.849262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.849262 (E_RNA)
where:
Base-Base interactions energy: -115.590
where: short stacking energy: -72.767
Base-Backbone interact. energy: 1.175
local terms energy: -171.433728
where:
bonds (distance) C4'-P energy: -42.591
bonds (distance) P-C4' energy: -52.464
flat angles C4'-P-C4' energy: -52.224
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -0.029
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: 488
Temperature: 1.350000
Total energy: -243.921050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.921050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.921050 (E_RNA)
where:
Base-Base interactions energy: -67.207
where: short stacking energy: -46.746
Base-Backbone interact. energy: 0.737
local terms energy: -177.450169
where:
bonds (distance) C4'-P energy: -55.881
bonds (distance) P-C4' energy: -59.653
flat angles C4'-P-C4' energy: -54.588
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: 15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1094.571482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.571482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.571482 (E_RNA)
where:
Base-Base interactions energy: -723.437
where: short stacking energy: -332.058
Base-Backbone interact. energy: -0.165
local terms energy: -370.969308
where:
bonds (distance) C4'-P energy: -67.298
bonds (distance) P-C4' energy: -68.380
flat angles C4'-P-C4' energy: -77.633
flat angles P-C4'-P energy: -52.700
tors. eta vs tors. theta energy: -104.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1073.899586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.899586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.899586 (E_RNA)
where:
Base-Base interactions energy: -739.676
where: short stacking energy: -276.693
Base-Backbone interact. energy: -2.837
local terms energy: -331.386246
where:
bonds (distance) C4'-P energy: -71.527
bonds (distance) P-C4' energy: -69.835
flat angles C4'-P-C4' energy: -62.944
flat angles P-C4'-P energy: -46.589
tors. eta vs tors. theta energy: -80.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -983.820289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.820289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.820289 (E_RNA)
where:
Base-Base interactions energy: -670.118
where: short stacking energy: -265.419
Base-Backbone interact. energy: -0.686
local terms energy: -313.016414
where:
bonds (distance) C4'-P energy: -56.473
bonds (distance) P-C4' energy: -70.149
flat angles C4'-P-C4' energy: -55.420
flat angles P-C4'-P energy: -47.991
tors. eta vs tors. theta energy: -82.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -949.925049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.925049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.925049 (E_RNA)
where:
Base-Base interactions energy: -624.014
where: short stacking energy: -273.578
Base-Backbone interact. energy: -0.688
local terms energy: -325.223251
where:
bonds (distance) C4'-P energy: -58.872
bonds (distance) P-C4' energy: -59.018
flat angles C4'-P-C4' energy: -70.393
flat angles P-C4'-P energy: -42.602
tors. eta vs tors. theta energy: -94.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -841.210280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.210280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.210280 (E_RNA)
where:
Base-Base interactions energy: -540.790
where: short stacking energy: -224.494
Base-Backbone interact. energy: -1.459
local terms energy: -298.961623
where:
bonds (distance) C4'-P energy: -61.994
bonds (distance) P-C4' energy: -60.417
flat angles C4'-P-C4' energy: -71.496
flat angles P-C4'-P energy: -35.993
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: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -595.033981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.033981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.033981 (E_RNA)
where:
Base-Base interactions energy: -345.448
where: short stacking energy: -148.065
Base-Backbone interact. energy: 0.187
local terms energy: -249.772476
where:
bonds (distance) C4'-P energy: -57.096
bonds (distance) P-C4' energy: -67.942
flat angles C4'-P-C4' energy: -63.296
flat angles P-C4'-P energy: -28.966
tors. eta vs tors. theta energy: -32.472
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: 489
Temperature: 1.200000
Total energy: -352.456287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.456287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.456287 (E_RNA)
where:
Base-Base interactions energy: -127.807
where: short stacking energy: -107.357
Base-Backbone interact. energy: -0.266
local terms energy: -224.579244
where:
bonds (distance) C4'-P energy: -70.349
bonds (distance) P-C4' energy: -63.842
flat angles C4'-P-C4' energy: -51.163
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.196 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -306.091292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.091292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.091292 (E_RNA)
where:
Base-Base interactions energy: -111.492
where: short stacking energy: -61.216
Base-Backbone interact. energy: -0.726
local terms energy: -193.873466
where:
bonds (distance) C4'-P energy: -64.110
bonds (distance) P-C4' energy: -58.252
flat angles C4'-P-C4' energy: -58.778
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: 11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -294.667662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.667662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.667662 (E_RNA)
where:
Base-Base interactions energy: -108.788
where: short stacking energy: -82.831
Base-Backbone interact. energy: 4.371
local terms energy: -190.250682
where:
bonds (distance) C4'-P energy: -55.457
bonds (distance) P-C4' energy: -61.219
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -35.611
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -270.254530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.254530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.254530 (E_RNA)
where:
Base-Base interactions energy: -110.464
where: short stacking energy: -85.823
Base-Backbone interact. energy: 0.247
local terms energy: -160.036967
where:
bonds (distance) C4'-P energy: -49.345
bonds (distance) P-C4' energy: -45.184
flat angles C4'-P-C4' energy: -42.090
flat angles P-C4'-P energy: -27.597
tors. eta vs tors. theta energy: 4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1092.146379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.146379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.146379 (E_RNA)
where:
Base-Base interactions energy: -722.185
where: short stacking energy: -325.536
Base-Backbone interact. energy: -0.219
local terms energy: -369.743246
where:
bonds (distance) C4'-P energy: -58.102
bonds (distance) P-C4' energy: -71.513
flat angles C4'-P-C4' energy: -67.889
flat angles P-C4'-P energy: -56.257
tors. eta vs tors. theta energy: -115.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1083.450329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.450329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.450329 (E_RNA)
where:
Base-Base interactions energy: -754.269
where: short stacking energy: -296.920
Base-Backbone interact. energy: -4.092
local terms energy: -325.090163
where:
bonds (distance) C4'-P energy: -54.847
bonds (distance) P-C4' energy: -57.453
flat angles C4'-P-C4' energy: -76.027
flat angles P-C4'-P energy: -46.322
tors. eta vs tors. theta energy: -90.441
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: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -995.723251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.723251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.723251 (E_RNA)
where:
Base-Base interactions energy: -655.175
where: short stacking energy: -278.098
Base-Backbone interact. energy: -1.550
local terms energy: -338.998948
where:
bonds (distance) C4'-P energy: -59.278
bonds (distance) P-C4' energy: -75.730
flat angles C4'-P-C4' energy: -66.410
flat angles P-C4'-P energy: -48.406
tors. eta vs tors. theta energy: -89.175
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: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -967.527825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.527825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.527825 (E_RNA)
where:
Base-Base interactions energy: -643.218
where: short stacking energy: -262.047
Base-Backbone interact. energy: -0.828
local terms energy: -323.481893
where:
bonds (distance) C4'-P energy: -55.307
bonds (distance) P-C4' energy: -66.177
flat angles C4'-P-C4' energy: -59.220
flat angles P-C4'-P energy: -50.060
tors. eta vs tors. theta energy: -92.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -836.442293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.442293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.442293 (E_RNA)
where:
Base-Base interactions energy: -544.417
where: short stacking energy: -239.909
Base-Backbone interact. energy: -1.455
local terms energy: -290.569911
where:
bonds (distance) C4'-P energy: -57.234
bonds (distance) P-C4' energy: -66.790
flat angles C4'-P-C4' energy: -62.667
flat angles P-C4'-P energy: -40.555
tors. eta vs tors. theta energy: -63.324
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: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -575.445663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.445663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.445663 (E_RNA)
where:
Base-Base interactions energy: -325.506
where: short stacking energy: -152.097
Base-Backbone interact. energy: 0.432
local terms energy: -250.370937
where:
bonds (distance) C4'-P energy: -57.051
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -63.342
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: -31.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -351.740066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.740066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.740066 (E_RNA)
where:
Base-Base interactions energy: -143.790
where: short stacking energy: -106.171
Base-Backbone interact. energy: 1.589
local terms energy: -209.539394
where:
bonds (distance) C4'-P energy: -62.426
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -47.702
flat angles P-C4'-P energy: -38.863
tors. eta vs tors. theta energy: -8.906
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: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -311.226431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.226431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.226431 (E_RNA)
where:
Base-Base interactions energy: -94.842
where: short stacking energy: -84.022
Base-Backbone interact. energy: -1.497
local terms energy: -214.888046
where:
bonds (distance) C4'-P energy: -64.807
bonds (distance) P-C4' energy: -50.722
flat angles C4'-P-C4' energy: -63.536
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: 3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -301.960367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.960367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.960367 (E_RNA)
where:
Base-Base interactions energy: -116.176
where: short stacking energy: -94.157
Base-Backbone interact. energy: 0.217
local terms energy: -186.001629
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -62.595
flat angles C4'-P-C4' energy: -47.895
flat angles P-C4'-P energy: -24.588
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -247.097425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.097425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.097425 (E_RNA)
where:
Base-Base interactions energy: -91.384
where: short stacking energy: -77.424
Base-Backbone interact. energy: -0.162
local terms energy: -155.551140
where:
bonds (distance) C4'-P energy: -51.519
bonds (distance) P-C4' energy: -53.256
flat angles C4'-P-C4' energy: -43.270
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: 19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1076.469533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.469533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.469533 (E_RNA)
where:
Base-Base interactions energy: -711.493
where: short stacking energy: -321.101
Base-Backbone interact. energy: -0.212
local terms energy: -364.764266
where:
bonds (distance) C4'-P energy: -64.840
bonds (distance) P-C4' energy: -66.307
flat angles C4'-P-C4' energy: -74.888
flat angles P-C4'-P energy: -53.862
tors. eta vs tors. theta energy: -104.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1055.503462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.503462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.503462 (E_RNA)
where:
Base-Base interactions energy: -723.943
where: short stacking energy: -273.706
Base-Backbone interact. energy: -3.195
local terms energy: -328.365378
where:
bonds (distance) C4'-P energy: -65.692
bonds (distance) P-C4' energy: -58.696
flat angles C4'-P-C4' energy: -72.788
flat angles P-C4'-P energy: -48.405
tors. eta vs tors. theta energy: -82.785
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: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1016.451594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.451594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.451594 (E_RNA)
where:
Base-Base interactions energy: -659.379
where: short stacking energy: -299.290
Base-Backbone interact. energy: -2.937
local terms energy: -354.135490
where:
bonds (distance) C4'-P energy: -57.327
bonds (distance) P-C4' energy: -67.204
flat angles C4'-P-C4' energy: -80.123
flat angles P-C4'-P energy: -50.896
tors. eta vs tors. theta energy: -98.586
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: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -977.866771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.866771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.866771 (E_RNA)
where:
Base-Base interactions energy: -638.946
where: short stacking energy: -259.223
Base-Backbone interact. energy: 0.863
local terms energy: -339.783981
where:
bonds (distance) C4'-P energy: -57.850
bonds (distance) P-C4' energy: -70.442
flat angles C4'-P-C4' energy: -71.186
flat angles P-C4'-P energy: -50.266
tors. eta vs tors. theta energy: -90.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -856.463297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.463297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.463297 (E_RNA)
where:
Base-Base interactions energy: -565.076
where: short stacking energy: -243.413
Base-Backbone interact. energy: -1.311
local terms energy: -290.076709
where:
bonds (distance) C4'-P energy: -55.332
bonds (distance) P-C4' energy: -62.415
flat angles C4'-P-C4' energy: -63.610
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -63.732
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: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -623.240532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.240532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.240532 (E_RNA)
where:
Base-Base interactions energy: -375.125
where: short stacking energy: -159.870
Base-Backbone interact. energy: -1.060
local terms energy: -247.055918
where:
bonds (distance) C4'-P energy: -55.505
bonds (distance) P-C4' energy: -60.692
flat angles C4'-P-C4' energy: -54.627
flat angles P-C4'-P energy: -43.316
tors. eta vs tors. theta energy: -32.915
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: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -397.531153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.531153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.531153 (E_RNA)
where:
Base-Base interactions energy: -195.735
where: short stacking energy: -100.856
Base-Backbone interact. energy: -0.217
local terms energy: -201.579139
where:
bonds (distance) C4'-P energy: -52.531
bonds (distance) P-C4' energy: -54.709
flat angles C4'-P-C4' energy: -61.256
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -293.269474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.269474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.269474 (E_RNA)
where:
Base-Base interactions energy: -100.394
where: short stacking energy: -92.342
Base-Backbone interact. energy: 1.076
local terms energy: -193.951462
where:
bonds (distance) C4'-P energy: -51.112
bonds (distance) P-C4' energy: -64.369
flat angles C4'-P-C4' energy: -48.692
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -273.488979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.488979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.488979 (E_RNA)
where:
Base-Base interactions energy: -78.891
where: short stacking energy: -68.876
Base-Backbone interact. energy: -2.880
local terms energy: -191.717842
where:
bonds (distance) C4'-P energy: -55.398
bonds (distance) P-C4' energy: -65.235
flat angles C4'-P-C4' energy: -49.549
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: 6.780
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: 491
Temperature: 1.350000
Total energy: -259.322468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.322468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.322468 (E_RNA)
where:
Base-Base interactions energy: -61.071
where: short stacking energy: -62.217
Base-Backbone interact. energy: 1.314
local terms energy: -199.565736
where:
bonds (distance) C4'-P energy: -62.765
bonds (distance) P-C4' energy: -65.200
flat angles C4'-P-C4' energy: -48.923
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: 12.832
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: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1095.458380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.458380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.458380 (E_RNA)
where:
Base-Base interactions energy: -716.729
where: short stacking energy: -324.087
Base-Backbone interact. energy: -0.481
local terms energy: -378.248202
where:
bonds (distance) C4'-P energy: -69.011
bonds (distance) P-C4' energy: -70.490
flat angles C4'-P-C4' energy: -81.549
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: -104.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1078.597214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.597214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.597214 (E_RNA)
where:
Base-Base interactions energy: -719.918
where: short stacking energy: -296.949
Base-Backbone interact. energy: -3.719
local terms energy: -354.960298
where:
bonds (distance) C4'-P energy: -60.313
bonds (distance) P-C4' energy: -63.083
flat angles C4'-P-C4' energy: -73.200
flat angles P-C4'-P energy: -60.926
tors. eta vs tors. theta energy: -97.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1022.744365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.744365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.744365 (E_RNA)
where:
Base-Base interactions energy: -667.007
where: short stacking energy: -313.203
Base-Backbone interact. energy: -0.639
local terms energy: -355.098537
where:
bonds (distance) C4'-P energy: -69.326
bonds (distance) P-C4' energy: -62.093
flat angles C4'-P-C4' energy: -73.238
flat angles P-C4'-P energy: -46.996
tors. eta vs tors. theta energy: -103.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -983.060898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.060898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.060898 (E_RNA)
where:
Base-Base interactions energy: -658.674
where: short stacking energy: -268.992
Base-Backbone interact. energy: -0.761
local terms energy: -323.625728
where:
bonds (distance) C4'-P energy: -64.030
bonds (distance) P-C4' energy: -54.664
flat angles C4'-P-C4' energy: -68.193
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -93.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -847.648824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.648824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.648824 (E_RNA)
where:
Base-Base interactions energy: -534.831
where: short stacking energy: -218.171
Base-Backbone interact. energy: -1.120
local terms energy: -311.697527
where:
bonds (distance) C4'-P energy: -59.933
bonds (distance) P-C4' energy: -63.721
flat angles C4'-P-C4' energy: -63.938
flat angles P-C4'-P energy: -49.189
tors. eta vs tors. theta energy: -74.916
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: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -551.876257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.876257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.876257 (E_RNA)
where:
Base-Base interactions energy: -308.240
where: short stacking energy: -134.521
Base-Backbone interact. energy: -0.598
local terms energy: -243.038540
where:
bonds (distance) C4'-P energy: -40.478
bonds (distance) P-C4' energy: -66.315
flat angles C4'-P-C4' energy: -71.392
flat angles P-C4'-P energy: -33.366
tors. eta vs tors. theta energy: -31.488
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: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -410.803474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.803474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.803474 (E_RNA)
where:
Base-Base interactions energy: -215.315
where: short stacking energy: -103.913
Base-Backbone interact. energy: 4.063
local terms energy: -199.551190
where:
bonds (distance) C4'-P energy: -52.642
bonds (distance) P-C4' energy: -61.024
flat angles C4'-P-C4' energy: -45.275
flat angles P-C4'-P energy: -32.758
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -319.510943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.510943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.510943 (E_RNA)
where:
Base-Base interactions energy: -128.986
where: short stacking energy: -72.029
Base-Backbone interact. energy: 0.059
local terms energy: -190.583236
where:
bonds (distance) C4'-P energy: -59.303
bonds (distance) P-C4' energy: -58.620
flat angles C4'-P-C4' energy: -45.679
flat angles P-C4'-P energy: -31.910
tors. eta vs tors. theta energy: 4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -293.577645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.577645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.577645 (E_RNA)
where:
Base-Base interactions energy: -107.908
where: short stacking energy: -84.170
Base-Backbone interact. energy: -0.360
local terms energy: -185.309783
where:
bonds (distance) C4'-P energy: -64.549
bonds (distance) P-C4' energy: -51.302
flat angles C4'-P-C4' energy: -54.597
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: 9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -266.791293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.791293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.791293 (E_RNA)
where:
Base-Base interactions energy: -94.131
where: short stacking energy: -53.778
Base-Backbone interact. energy: 2.865
local terms energy: -175.524824
where:
bonds (distance) C4'-P energy: -57.842
bonds (distance) P-C4' energy: -58.724
flat angles C4'-P-C4' energy: -49.989
flat angles P-C4'-P energy: -28.318
tors. eta vs tors. theta energy: 19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1110.227238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.227238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.227238 (E_RNA)
where:
Base-Base interactions energy: -735.498
where: short stacking energy: -337.466
Base-Backbone interact. energy: 0.520
local terms energy: -375.524300
where:
bonds (distance) C4'-P energy: -68.420
bonds (distance) P-C4' energy: -73.227
flat angles C4'-P-C4' energy: -70.837
flat angles P-C4'-P energy: -53.487
tors. eta vs tors. theta energy: -109.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.275 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1088.218452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.218452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.218452 (E_RNA)
where:
Base-Base interactions energy: -743.943
where: short stacking energy: -289.520
Base-Backbone interact. energy: -1.820
local terms energy: -342.455651
where:
bonds (distance) C4'-P energy: -66.976
bonds (distance) P-C4' energy: -60.827
flat angles C4'-P-C4' energy: -71.668
flat angles P-C4'-P energy: -49.237
tors. eta vs tors. theta energy: -93.748
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: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -995.071536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.071536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.071536 (E_RNA)
where:
Base-Base interactions energy: -658.019
where: short stacking energy: -301.067
Base-Backbone interact. energy: -1.207
local terms energy: -335.846261
where:
bonds (distance) C4'-P energy: -59.300
bonds (distance) P-C4' energy: -68.669
flat angles C4'-P-C4' energy: -68.862
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -95.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -968.068535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.068535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.068535 (E_RNA)
where:
Base-Base interactions energy: -658.210
where: short stacking energy: -267.238
Base-Backbone interact. energy: -0.697
local terms energy: -309.161814
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -63.879
flat angles C4'-P-C4' energy: -63.711
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -87.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -869.527639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.527639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.527639 (E_RNA)
where:
Base-Base interactions energy: -552.359
where: short stacking energy: -222.230
Base-Backbone interact. energy: 0.760
local terms energy: -317.928513
where:
bonds (distance) C4'-P energy: -65.322
bonds (distance) P-C4' energy: -60.277
flat angles C4'-P-C4' energy: -70.311
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -73.565
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: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -532.376277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.376277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.376277 (E_RNA)
where:
Base-Base interactions energy: -303.981
where: short stacking energy: -153.695
Base-Backbone interact. energy: -1.379
local terms energy: -227.016309
where:
bonds (distance) C4'-P energy: -37.141
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -67.605
flat angles P-C4'-P energy: -38.116
tors. eta vs tors. theta energy: -24.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -401.243396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.243396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.243396 (E_RNA)
where:
Base-Base interactions energy: -173.853
where: short stacking energy: -105.665
Base-Backbone interact. energy: 2.609
local terms energy: -229.999667
where:
bonds (distance) C4'-P energy: -53.233
bonds (distance) P-C4' energy: -67.962
flat angles C4'-P-C4' energy: -65.458
flat angles P-C4'-P energy: -33.442
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -313.637111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.637111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.637111 (E_RNA)
where:
Base-Base interactions energy: -123.820
where: short stacking energy: -80.797
Base-Backbone interact. energy: -1.525
local terms energy: -188.292139
where:
bonds (distance) C4'-P energy: -65.194
bonds (distance) P-C4' energy: -46.327
flat angles C4'-P-C4' energy: -39.513
flat angles P-C4'-P energy: -37.587
tors. eta vs tors. theta energy: 0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -284.266985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.266985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.266985 (E_RNA)
where:
Base-Base interactions energy: -94.305
where: short stacking energy: -77.965
Base-Backbone interact. energy: 0.696
local terms energy: -190.695748
where:
bonds (distance) C4'-P energy: -58.305
bonds (distance) P-C4' energy: -57.858
flat angles C4'-P-C4' energy: -41.479
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.039 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -290.456027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.456027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.456027 (E_RNA)
where:
Base-Base interactions energy: -113.151
where: short stacking energy: -81.058
Base-Backbone interact. energy: 4.180
local terms energy: -181.484853
where:
bonds (distance) C4'-P energy: -60.415
bonds (distance) P-C4' energy: -52.846
flat angles C4'-P-C4' energy: -53.024
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: 3.919
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: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1088.704213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.704213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.704213 (E_RNA)
where:
Base-Base interactions energy: -724.885
where: short stacking energy: -326.483
Base-Backbone interact. energy: -0.920
local terms energy: -362.899495
where:
bonds (distance) C4'-P energy: -63.140
bonds (distance) P-C4' energy: -71.650
flat angles C4'-P-C4' energy: -74.029
flat angles P-C4'-P energy: -54.362
tors. eta vs tors. theta energy: -99.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1053.268102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.268102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.268102 (E_RNA)
where:
Base-Base interactions energy: -721.713
where: short stacking energy: -283.793
Base-Backbone interact. energy: -2.246
local terms energy: -329.309043
where:
bonds (distance) C4'-P energy: -62.692
bonds (distance) P-C4' energy: -71.823
flat angles C4'-P-C4' energy: -72.628
flat angles P-C4'-P energy: -42.545
tors. eta vs tors. theta energy: -79.621
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: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -986.092638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.092638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.092638 (E_RNA)
where:
Base-Base interactions energy: -639.118
where: short stacking energy: -289.156
Base-Backbone interact. energy: -0.860
local terms energy: -346.114465
where:
bonds (distance) C4'-P energy: -66.000
bonds (distance) P-C4' energy: -62.944
flat angles C4'-P-C4' energy: -73.345
flat angles P-C4'-P energy: -46.667
tors. eta vs tors. theta energy: -97.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -931.306855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.306855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.306855 (E_RNA)
where:
Base-Base interactions energy: -615.140
where: short stacking energy: -277.517
Base-Backbone interact. energy: -0.283
local terms energy: -315.884302
where:
bonds (distance) C4'-P energy: -65.839
bonds (distance) P-C4' energy: -60.105
flat angles C4'-P-C4' energy: -70.370
flat angles P-C4'-P energy: -35.927
tors. eta vs tors. theta energy: -83.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -869.998704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.998704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.998704 (E_RNA)
where:
Base-Base interactions energy: -566.331
where: short stacking energy: -237.396
Base-Backbone interact. energy: -0.509
local terms energy: -303.158978
where:
bonds (distance) C4'-P energy: -63.683
bonds (distance) P-C4' energy: -56.737
flat angles C4'-P-C4' energy: -71.934
flat angles P-C4'-P energy: -49.986
tors. eta vs tors. theta energy: -60.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -546.379871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.379871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.379871 (E_RNA)
where:
Base-Base interactions energy: -285.977
where: short stacking energy: -155.362
Base-Backbone interact. energy: -2.751
local terms energy: -257.652141
where:
bonds (distance) C4'-P energy: -55.567
bonds (distance) P-C4' energy: -62.953
flat angles C4'-P-C4' energy: -68.531
flat angles P-C4'-P energy: -42.490
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -318.955614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.955614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.955614 (E_RNA)
where:
Base-Base interactions energy: -93.112
where: short stacking energy: -89.212
Base-Backbone interact. energy: -0.247
local terms energy: -225.596883
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -70.777
flat angles C4'-P-C4' energy: -50.692
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -320.918431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.918431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.918431 (E_RNA)
where:
Base-Base interactions energy: -135.165
where: short stacking energy: -106.598
Base-Backbone interact. energy: 2.002
local terms energy: -187.754762
where:
bonds (distance) C4'-P energy: -51.557
bonds (distance) P-C4' energy: -66.072
flat angles C4'-P-C4' energy: -38.198
flat angles P-C4'-P energy: -29.085
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -293.901664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.901664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.901664 (E_RNA)
where:
Base-Base interactions energy: -106.825
where: short stacking energy: -70.237
Base-Backbone interact. energy: 1.606
local terms energy: -188.682806
where:
bonds (distance) C4'-P energy: -49.450
bonds (distance) P-C4' energy: -64.632
flat angles C4'-P-C4' energy: -42.910
flat angles P-C4'-P energy: -30.376
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -264.734016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.734016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.734016 (E_RNA)
where:
Base-Base interactions energy: -110.986
where: short stacking energy: -67.100
Base-Backbone interact. energy: 9.042
local terms energy: -162.790087
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -54.501
flat angles C4'-P-C4' energy: -42.819
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: 13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1092.969221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.969221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.969221 (E_RNA)
where:
Base-Base interactions energy: -733.139
where: short stacking energy: -327.604
Base-Backbone interact. energy: 0.540
local terms energy: -360.370334
where:
bonds (distance) C4'-P energy: -67.749
bonds (distance) P-C4' energy: -68.586
flat angles C4'-P-C4' energy: -74.665
flat angles P-C4'-P energy: -46.860
tors. eta vs tors. theta energy: -102.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1049.227621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.227621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.227621 (E_RNA)
where:
Base-Base interactions energy: -714.312
where: short stacking energy: -283.716
Base-Backbone interact. energy: -1.764
local terms energy: -333.151143
where:
bonds (distance) C4'-P energy: -57.151
bonds (distance) P-C4' energy: -67.455
flat angles C4'-P-C4' energy: -69.241
flat angles P-C4'-P energy: -43.109
tors. eta vs tors. theta energy: -96.195
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: 3, replica: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -994.787816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.787816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.787816 (E_RNA)
where:
Base-Base interactions energy: -662.571
where: short stacking energy: -282.725
Base-Backbone interact. energy: -1.050
local terms energy: -331.167238
where:
bonds (distance) C4'-P energy: -60.764
bonds (distance) P-C4' energy: -65.921
flat angles C4'-P-C4' energy: -66.575
flat angles P-C4'-P energy: -50.584
tors. eta vs tors. theta energy: -87.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -931.986794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.986794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.986794 (E_RNA)
where:
Base-Base interactions energy: -632.597
where: short stacking energy: -262.592
Base-Backbone interact. energy: -0.563
local terms energy: -298.826665
where:
bonds (distance) C4'-P energy: -55.885
bonds (distance) P-C4' energy: -62.740
flat angles C4'-P-C4' energy: -57.471
flat angles P-C4'-P energy: -38.698
tors. eta vs tors. theta energy: -84.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -881.209167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.209167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.209167 (E_RNA)
where:
Base-Base interactions energy: -559.616
where: short stacking energy: -228.118
Base-Backbone interact. energy: -0.765
local terms energy: -320.828326
where:
bonds (distance) C4'-P energy: -63.743
bonds (distance) P-C4' energy: -57.619
flat angles C4'-P-C4' energy: -77.833
flat angles P-C4'-P energy: -51.635
tors. eta vs tors. theta energy: -69.999
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: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -517.866543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.866543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.866543 (E_RNA)
where:
Base-Base interactions energy: -281.678
where: short stacking energy: -123.862
Base-Backbone interact. energy: -1.888
local terms energy: -234.300675
where:
bonds (distance) C4'-P energy: -72.447
bonds (distance) P-C4' energy: -62.823
flat angles C4'-P-C4' energy: -47.434
flat angles P-C4'-P energy: -36.006
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -342.730719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.730719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.730719 (E_RNA)
where:
Base-Base interactions energy: -126.150
where: short stacking energy: -84.694
Base-Backbone interact. energy: 3.189
local terms energy: -220.015097
where:
bonds (distance) C4'-P energy: -64.905
bonds (distance) P-C4' energy: -62.467
flat angles C4'-P-C4' energy: -65.086
flat angles P-C4'-P energy: -29.966
tors. eta vs tors. theta energy: 2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.245 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -297.082524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.082524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.082524 (E_RNA)
where:
Base-Base interactions energy: -99.871
where: short stacking energy: -64.421
Base-Backbone interact. energy: -0.824
local terms energy: -196.864379
where:
bonds (distance) C4'-P energy: -62.839
bonds (distance) P-C4' energy: -68.285
flat angles C4'-P-C4' energy: -52.220
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: 17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.477 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -316.072215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.072215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.072215 (E_RNA)
where:
Base-Base interactions energy: -121.180
where: short stacking energy: -90.475
Base-Backbone interact. energy: 1.660
local terms energy: -196.551673
where:
bonds (distance) C4'-P energy: -52.886
bonds (distance) P-C4' energy: -60.244
flat angles C4'-P-C4' energy: -63.284
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: 3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -249.497441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.497441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.497441 (E_RNA)
where:
Base-Base interactions energy: -75.055
where: short stacking energy: -68.599
Base-Backbone interact. energy: 0.296
local terms energy: -174.737879
where:
bonds (distance) C4'-P energy: -50.892
bonds (distance) P-C4' energy: -58.672
flat angles C4'-P-C4' energy: -42.794
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: 0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1082.603448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.603448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.603448 (E_RNA)
where:
Base-Base interactions energy: -703.453
where: short stacking energy: -316.497
Base-Backbone interact. energy: -0.088
local terms energy: -379.467121
where:
bonds (distance) C4'-P energy: -66.229
bonds (distance) P-C4' energy: -74.743
flat angles C4'-P-C4' energy: -69.822
flat angles P-C4'-P energy: -60.349
tors. eta vs tors. theta energy: -108.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.405 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1052.191742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.191742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.191742 (E_RNA)
where:
Base-Base interactions energy: -730.091
where: short stacking energy: -275.428
Base-Backbone interact. energy: -2.960
local terms energy: -319.140563
where:
bonds (distance) C4'-P energy: -64.230
bonds (distance) P-C4' energy: -57.858
flat angles C4'-P-C4' energy: -68.083
flat angles P-C4'-P energy: -41.445
tors. eta vs tors. theta energy: -87.525
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: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -986.710050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.710050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.710050 (E_RNA)
where:
Base-Base interactions energy: -649.564
where: short stacking energy: -308.224
Base-Backbone interact. energy: -1.061
local terms energy: -336.085126
where:
bonds (distance) C4'-P energy: -56.316
bonds (distance) P-C4' energy: -67.091
flat angles C4'-P-C4' energy: -76.561
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -95.164
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: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -932.154227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.154227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.154227 (E_RNA)
where:
Base-Base interactions energy: -616.733
where: short stacking energy: -267.469
Base-Backbone interact. energy: -1.289
local terms energy: -314.132332
where:
bonds (distance) C4'-P energy: -57.902
bonds (distance) P-C4' energy: -70.860
flat angles C4'-P-C4' energy: -69.963
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: -75.206
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: 496
Temperature: 1.100000
Total energy: -889.246005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.246005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.246005 (E_RNA)
where:
Base-Base interactions energy: -586.174
where: short stacking energy: -260.665
Base-Backbone interact. energy: 0.210
local terms energy: -303.281979
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -62.445
flat angles C4'-P-C4' energy: -70.655
flat angles P-C4'-P energy: -43.154
tors. eta vs tors. theta energy: -74.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -533.633090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.633090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.633090 (E_RNA)
where:
Base-Base interactions energy: -299.454
where: short stacking energy: -134.364
Base-Backbone interact. energy: -0.055
local terms energy: -234.124546
where:
bonds (distance) C4'-P energy: -59.185
bonds (distance) P-C4' energy: -58.436
flat angles C4'-P-C4' energy: -61.717
flat angles P-C4'-P energy: -33.974
tors. eta vs tors. theta energy: -20.812
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: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -349.928945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.928945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.928945 (E_RNA)
where:
Base-Base interactions energy: -120.703
where: short stacking energy: -102.015
Base-Backbone interact. energy: -1.228
local terms energy: -227.997246
where:
bonds (distance) C4'-P energy: -57.943
bonds (distance) P-C4' energy: -68.746
flat angles C4'-P-C4' energy: -51.136
flat angles P-C4'-P energy: -40.588
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -308.996076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.996076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.996076 (E_RNA)
where:
Base-Base interactions energy: -96.631
where: short stacking energy: -78.770
Base-Backbone interact. energy: -2.000
local terms energy: -210.365560
where:
bonds (distance) C4'-P energy: -53.220
bonds (distance) P-C4' energy: -67.138
flat angles C4'-P-C4' energy: -58.726
flat angles P-C4'-P energy: -36.464
tors. eta vs tors. theta energy: 5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -289.364202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.364202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.364202 (E_RNA)
where:
Base-Base interactions energy: -109.493
where: short stacking energy: -89.927
Base-Backbone interact. energy: -0.857
local terms energy: -179.013545
where:
bonds (distance) C4'-P energy: -58.918
bonds (distance) P-C4' energy: -45.785
flat angles C4'-P-C4' energy: -52.143
flat angles P-C4'-P energy: -30.622
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: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -262.894062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.894062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.894062 (E_RNA)
where:
Base-Base interactions energy: -79.575
where: short stacking energy: -68.448
Base-Backbone interact. energy: -2.805
local terms energy: -180.514476
where:
bonds (distance) C4'-P energy: -60.337
bonds (distance) P-C4' energy: -48.832
flat angles C4'-P-C4' energy: -44.115
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: 7.873
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: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1081.905814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.905814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.905814 (E_RNA)
where:
Base-Base interactions energy: -723.812
where: short stacking energy: -311.776
Base-Backbone interact. energy: -0.294
local terms energy: -357.800459
where:
bonds (distance) C4'-P energy: -58.865
bonds (distance) P-C4' energy: -75.968
flat angles C4'-P-C4' energy: -77.077
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: -102.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1069.859740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.859740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.859740 (E_RNA)
where:
Base-Base interactions energy: -736.417
where: short stacking energy: -295.660
Base-Backbone interact. energy: 0.921
local terms energy: -334.363900
where:
bonds (distance) C4'-P energy: -55.224
bonds (distance) P-C4' energy: -69.963
flat angles C4'-P-C4' energy: -74.902
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -89.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -996.329576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.329576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.329576 (E_RNA)
where:
Base-Base interactions energy: -657.817
where: short stacking energy: -282.960
Base-Backbone interact. energy: 0.399
local terms energy: -338.910917
where:
bonds (distance) C4'-P energy: -56.710
bonds (distance) P-C4' energy: -70.035
flat angles C4'-P-C4' energy: -63.175
flat angles P-C4'-P energy: -49.692
tors. eta vs tors. theta energy: -99.299
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: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -976.903827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.903827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.903827 (E_RNA)
where:
Base-Base interactions energy: -660.481
where: short stacking energy: -255.247
Base-Backbone interact. energy: 0.148
local terms energy: -316.571066
where:
bonds (distance) C4'-P energy: -65.400
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -68.433
flat angles P-C4'-P energy: -42.052
tors. eta vs tors. theta energy: -87.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -888.896127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.896127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.896127 (E_RNA)
where:
Base-Base interactions energy: -591.617
where: short stacking energy: -244.292
Base-Backbone interact. energy: 1.314
local terms energy: -298.593880
where:
bonds (distance) C4'-P energy: -63.119
bonds (distance) P-C4' energy: -61.386
flat angles C4'-P-C4' energy: -66.786
flat angles P-C4'-P energy: -42.206
tors. eta vs tors. theta energy: -65.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -539.743167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.743167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.743167 (E_RNA)
where:
Base-Base interactions energy: -294.685
where: short stacking energy: -156.914
Base-Backbone interact. energy: -0.233
local terms energy: -244.824516
where:
bonds (distance) C4'-P energy: -54.482
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -57.946
flat angles P-C4'-P energy: -36.198
tors. eta vs tors. theta energy: -41.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -381.895241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.895241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.895241 (E_RNA)
where:
Base-Base interactions energy: -178.749
where: short stacking energy: -118.638
Base-Backbone interact. energy: 0.394
local terms energy: -203.540996
where:
bonds (distance) C4'-P energy: -59.907
bonds (distance) P-C4' energy: -63.210
flat angles C4'-P-C4' energy: -42.800
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -344.668091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.668091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.668091 (E_RNA)
where:
Base-Base interactions energy: -165.180
where: short stacking energy: -105.275
Base-Backbone interact. energy: -1.297
local terms energy: -178.191418
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -42.848
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -273.979850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.979850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.979850 (E_RNA)
where:
Base-Base interactions energy: -79.992
where: short stacking energy: -76.641
Base-Backbone interact. energy: -0.571
local terms energy: -193.416542
where:
bonds (distance) C4'-P energy: -47.013
bonds (distance) P-C4' energy: -68.385
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: 2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -264.242862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.242862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.242862 (E_RNA)
where:
Base-Base interactions energy: -83.282
where: short stacking energy: -61.477
Base-Backbone interact. energy: -1.914
local terms energy: -179.047138
where:
bonds (distance) C4'-P energy: -50.708
bonds (distance) P-C4' energy: -59.673
flat angles C4'-P-C4' energy: -60.633
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: 11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1084.753328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.753328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.753328 (E_RNA)
where:
Base-Base interactions energy: -734.049
where: short stacking energy: -277.507
Base-Backbone interact. energy: -2.278
local terms energy: -348.426342
where:
bonds (distance) C4'-P energy: -71.307
bonds (distance) P-C4' energy: -65.053
flat angles C4'-P-C4' energy: -74.824
flat angles P-C4'-P energy: -48.636
tors. eta vs tors. theta energy: -88.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1053.567762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.567762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.567762 (E_RNA)
where:
Base-Base interactions energy: -704.494
where: short stacking energy: -315.117
Base-Backbone interact. energy: -0.310
local terms energy: -348.763750
where:
bonds (distance) C4'-P energy: -65.260
bonds (distance) P-C4' energy: -65.600
flat angles C4'-P-C4' energy: -71.711
flat angles P-C4'-P energy: -36.793
tors. eta vs tors. theta energy: -109.398
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: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -953.842162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.842162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.842162 (E_RNA)
where:
Base-Base interactions energy: -625.611
where: short stacking energy: -278.992
Base-Backbone interact. energy: -1.868
local terms energy: -326.786484
where:
bonds (distance) C4'-P energy: -56.293
bonds (distance) P-C4' energy: -59.509
flat angles C4'-P-C4' energy: -70.043
flat angles P-C4'-P energy: -48.974
tors. eta vs tors. theta energy: -91.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.423 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -948.816453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.816453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.816453 (E_RNA)
where:
Base-Base interactions energy: -627.379
where: short stacking energy: -269.997
Base-Backbone interact. energy: 0.840
local terms energy: -322.277609
where:
bonds (distance) C4'-P energy: -69.292
bonds (distance) P-C4' energy: -62.702
flat angles C4'-P-C4' energy: -64.078
flat angles P-C4'-P energy: -42.096
tors. eta vs tors. theta energy: -84.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -869.674415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.674415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.674415 (E_RNA)
where:
Base-Base interactions energy: -579.222
where: short stacking energy: -246.224
Base-Backbone interact. energy: 0.178
local terms energy: -290.630536
where:
bonds (distance) C4'-P energy: -58.312
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -63.742
flat angles P-C4'-P energy: -45.292
tors. eta vs tors. theta energy: -66.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -550.655972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.655972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.655972 (E_RNA)
where:
Base-Base interactions energy: -305.322
where: short stacking energy: -147.849
Base-Backbone interact. energy: 0.425
local terms energy: -245.758787
where:
bonds (distance) C4'-P energy: -61.242
bonds (distance) P-C4' energy: -64.297
flat angles C4'-P-C4' energy: -53.443
flat angles P-C4'-P energy: -41.306
tors. eta vs tors. theta energy: -25.471
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: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -434.862084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.862084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.862084 (E_RNA)
where:
Base-Base interactions energy: -222.212
where: short stacking energy: -116.633
Base-Backbone interact. energy: -3.042
local terms energy: -209.608287
where:
bonds (distance) C4'-P energy: -48.744
bonds (distance) P-C4' energy: -71.257
flat angles C4'-P-C4' energy: -49.248
flat angles P-C4'-P energy: -27.463
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -352.232737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.232737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.232737 (E_RNA)
where:
Base-Base interactions energy: -146.416
where: short stacking energy: -109.296
Base-Backbone interact. energy: 2.023
local terms energy: -207.839491
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -64.558
flat angles C4'-P-C4' energy: -56.368
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -277.292130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.292130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.292130 (E_RNA)
where:
Base-Base interactions energy: -79.812
where: short stacking energy: -67.044
Base-Backbone interact. energy: 0.125
local terms energy: -197.605428
where:
bonds (distance) C4'-P energy: -62.141
bonds (distance) P-C4' energy: -65.366
flat angles C4'-P-C4' energy: -53.397
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: 3.903
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: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -273.388567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.388567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.388567 (E_RNA)
where:
Base-Base interactions energy: -87.234
where: short stacking energy: -63.296
Base-Backbone interact. energy: -1.429
local terms energy: -184.724937
where:
bonds (distance) C4'-P energy: -48.943
bonds (distance) P-C4' energy: -47.132
flat angles C4'-P-C4' energy: -51.087
flat angles P-C4'-P energy: -34.447
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1088.862065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.862065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.862065 (E_RNA)
where:
Base-Base interactions energy: -719.826
where: short stacking energy: -284.088
Base-Backbone interact. energy: -1.013
local terms energy: -368.023186
where:
bonds (distance) C4'-P energy: -69.386
bonds (distance) P-C4' energy: -73.682
flat angles C4'-P-C4' energy: -80.858
flat angles P-C4'-P energy: -46.155
tors. eta vs tors. theta energy: -97.943
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: 2, replica: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1046.010684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.010684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.010684 (E_RNA)
where:
Base-Base interactions energy: -698.406
where: short stacking energy: -321.586
Base-Backbone interact. energy: -0.534
local terms energy: -347.362827
where:
bonds (distance) C4'-P energy: -60.140
bonds (distance) P-C4' energy: -58.472
flat angles C4'-P-C4' energy: -69.860
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -107.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.292 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -997.713844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.713844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.713844 (E_RNA)
where:
Base-Base interactions energy: -648.670
where: short stacking energy: -293.818
Base-Backbone interact. energy: -2.206
local terms energy: -346.837208
where:
bonds (distance) C4'-P energy: -71.290
bonds (distance) P-C4' energy: -57.023
flat angles C4'-P-C4' energy: -77.111
flat angles P-C4'-P energy: -43.563
tors. eta vs tors. theta energy: -97.850
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: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -936.619777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.619777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.619777 (E_RNA)
where:
Base-Base interactions energy: -628.194
where: short stacking energy: -248.725
Base-Backbone interact. energy: -0.346
local terms energy: -308.080498
where:
bonds (distance) C4'-P energy: -52.933
bonds (distance) P-C4' energy: -65.789
flat angles C4'-P-C4' energy: -72.452
flat angles P-C4'-P energy: -44.062
tors. eta vs tors. theta energy: -72.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -870.608136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.608136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.608136 (E_RNA)
where:
Base-Base interactions energy: -568.700
where: short stacking energy: -248.540
Base-Backbone interact. energy: -1.360
local terms energy: -300.548153
where:
bonds (distance) C4'-P energy: -60.724
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -80.097
flat angles P-C4'-P energy: -41.007
tors. eta vs tors. theta energy: -63.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -580.462642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.462642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.462642 (E_RNA)
where:
Base-Base interactions energy: -311.312
where: short stacking energy: -166.280
Base-Backbone interact. energy: -0.959
local terms energy: -268.191458
where:
bonds (distance) C4'-P energy: -50.663
bonds (distance) P-C4' energy: -58.726
flat angles C4'-P-C4' energy: -74.457
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -42.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -392.508367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.508367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.508367 (E_RNA)
where:
Base-Base interactions energy: -184.815
where: short stacking energy: -105.983
Base-Backbone interact. energy: -0.178
local terms energy: -207.514829
where:
bonds (distance) C4'-P energy: -44.120
bonds (distance) P-C4' energy: -58.914
flat angles C4'-P-C4' energy: -68.779
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -297.545405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.545405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.545405 (E_RNA)
where:
Base-Base interactions energy: -95.339
where: short stacking energy: -75.873
Base-Backbone interact. energy: -4.215
local terms energy: -197.991407
where:
bonds (distance) C4'-P energy: -63.053
bonds (distance) P-C4' energy: -62.655
flat angles C4'-P-C4' energy: -39.475
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: 3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -308.112483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.112483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.112483 (E_RNA)
where:
Base-Base interactions energy: -151.386
where: short stacking energy: -80.099
Base-Backbone interact. energy: 4.243
local terms energy: -160.969801
where:
bonds (distance) C4'-P energy: -45.200
bonds (distance) P-C4' energy: -47.892
flat angles C4'-P-C4' energy: -47.642
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: 11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -241.840829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.840829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.840829 (E_RNA)
where:
Base-Base interactions energy: -87.969
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.515
local terms energy: -153.357061
where:
bonds (distance) C4'-P energy: -52.419
bonds (distance) P-C4' energy: -55.516
flat angles C4'-P-C4' energy: -39.397
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: 17.184
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: 8
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1098.275624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.275624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.275624 (E_RNA)
where:
Base-Base interactions energy: -752.891
where: short stacking energy: -299.877
Base-Backbone interact. energy: 0.724
local terms energy: -346.107950
where:
bonds (distance) C4'-P energy: -64.813
bonds (distance) P-C4' energy: -74.490
flat angles C4'-P-C4' energy: -69.449
flat angles P-C4'-P energy: -48.047
tors. eta vs tors. theta energy: -89.309
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: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1063.575389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.575389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.575389 (E_RNA)
where:
Base-Base interactions energy: -700.803
where: short stacking energy: -307.223
Base-Backbone interact. energy: -0.484
local terms energy: -362.319717
where:
bonds (distance) C4'-P energy: -56.061
bonds (distance) P-C4' energy: -70.098
flat angles C4'-P-C4' energy: -77.968
flat angles P-C4'-P energy: -50.039
tors. eta vs tors. theta energy: -108.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.031 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1007.513715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.513715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.513715 (E_RNA)
where:
Base-Base interactions energy: -683.583
where: short stacking energy: -290.914
Base-Backbone interact. energy: -0.090
local terms energy: -323.841576
where:
bonds (distance) C4'-P energy: -56.721
bonds (distance) P-C4' energy: -56.756
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -100.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -955.480450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.480450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.480450 (E_RNA)
where:
Base-Base interactions energy: -639.274
where: short stacking energy: -267.010
Base-Backbone interact. energy: -0.087
local terms energy: -316.119583
where:
bonds (distance) C4'-P energy: -57.389
bonds (distance) P-C4' energy: -64.386
flat angles C4'-P-C4' energy: -65.817
flat angles P-C4'-P energy: -53.127
tors. eta vs tors. theta energy: -75.401
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: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -859.084298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.084298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.084298 (E_RNA)
where:
Base-Base interactions energy: -569.750
where: short stacking energy: -220.145
Base-Backbone interact. energy: -1.136
local terms energy: -288.198583
where:
bonds (distance) C4'-P energy: -44.038
bonds (distance) P-C4' energy: -65.388
flat angles C4'-P-C4' energy: -66.132
flat angles P-C4'-P energy: -45.380
tors. eta vs tors. theta energy: -67.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -574.426881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.426881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.426881 (E_RNA)
where:
Base-Base interactions energy: -314.427
where: short stacking energy: -154.945
Base-Backbone interact. energy: -0.203
local terms energy: -259.796654
where:
bonds (distance) C4'-P energy: -60.942
bonds (distance) P-C4' energy: -65.756
flat angles C4'-P-C4' energy: -69.287
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -38.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -403.049673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.049673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.049673 (E_RNA)
where:
Base-Base interactions energy: -180.224
where: short stacking energy: -100.909
Base-Backbone interact. energy: -3.203
local terms energy: -219.622456
where:
bonds (distance) C4'-P energy: -61.406
bonds (distance) P-C4' energy: -60.985
flat angles C4'-P-C4' energy: -53.231
flat angles P-C4'-P energy: -33.241
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -312.443606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.443606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.443606 (E_RNA)
where:
Base-Base interactions energy: -126.593
where: short stacking energy: -82.697
Base-Backbone interact. energy: 3.758
local terms energy: -189.609083
where:
bonds (distance) C4'-P energy: -57.037
bonds (distance) P-C4' energy: -64.042
flat angles C4'-P-C4' energy: -43.008
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: 2.146
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: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -282.938307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.938307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.938307 (E_RNA)
where:
Base-Base interactions energy: -101.277
where: short stacking energy: -82.343
Base-Backbone interact. energy: -0.893
local terms energy: -180.768478
where:
bonds (distance) C4'-P energy: -51.692
bonds (distance) P-C4' energy: -59.294
flat angles C4'-P-C4' energy: -40.047
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -272.289118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.289118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.289118 (E_RNA)
where:
Base-Base interactions energy: -100.277
where: short stacking energy: -66.527
Base-Backbone interact. energy: -1.239
local terms energy: -170.772535
where:
bonds (distance) C4'-P energy: -59.792
bonds (distance) P-C4' energy: -53.210
flat angles C4'-P-C4' energy: -45.049
flat angles P-C4'-P energy: -34.846
tors. eta vs tors. theta energy: 22.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1094.524426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.524426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.524426 (E_RNA)
where:
Base-Base interactions energy: -744.325
where: short stacking energy: -319.975
Base-Backbone interact. energy: -3.226
local terms energy: -346.973721
where:
bonds (distance) C4'-P energy: -56.960
bonds (distance) P-C4' energy: -70.532
flat angles C4'-P-C4' energy: -70.277
flat angles P-C4'-P energy: -51.534
tors. eta vs tors. theta energy: -97.670
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: 9
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1073.115335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.115335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.115335 (E_RNA)
where:
Base-Base interactions energy: -700.940
where: short stacking energy: -310.465
Base-Backbone interact. energy: -0.746
local terms energy: -371.429758
where:
bonds (distance) C4'-P energy: -65.539
bonds (distance) P-C4' energy: -64.336
flat angles C4'-P-C4' energy: -77.190
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: -113.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1024.870961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.870961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.870961 (E_RNA)
where:
Base-Base interactions energy: -670.824
where: short stacking energy: -295.851
Base-Backbone interact. energy: -0.565
local terms energy: -353.482475
where:
bonds (distance) C4'-P energy: -61.572
bonds (distance) P-C4' energy: -63.116
flat angles C4'-P-C4' energy: -78.397
flat angles P-C4'-P energy: -46.009
tors. eta vs tors. theta energy: -104.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -945.959156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.959156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.959156 (E_RNA)
where:
Base-Base interactions energy: -633.161
where: short stacking energy: -262.509
Base-Backbone interact. energy: -1.688
local terms energy: -311.109743
where:
bonds (distance) C4'-P energy: -51.539
bonds (distance) P-C4' energy: -70.013
flat angles C4'-P-C4' energy: -63.191
flat angles P-C4'-P energy: -43.251
tors. eta vs tors. theta energy: -83.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -834.880849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.880849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.880849 (E_RNA)
where:
Base-Base interactions energy: -541.168
where: short stacking energy: -220.205
Base-Backbone interact. energy: -0.041
local terms energy: -293.671921
where:
bonds (distance) C4'-P energy: -58.998
bonds (distance) P-C4' energy: -65.912
flat angles C4'-P-C4' energy: -63.774
flat angles P-C4'-P energy: -46.286
tors. eta vs tors. theta energy: -58.702
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: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -516.216940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.216940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.216940 (E_RNA)
where:
Base-Base interactions energy: -299.078
where: short stacking energy: -162.334
Base-Backbone interact. energy: -0.452
local terms energy: -216.686582
where:
bonds (distance) C4'-P energy: -48.557
bonds (distance) P-C4' energy: -56.249
flat angles C4'-P-C4' energy: -58.438
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -26.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -396.380710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.380710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.380710 (E_RNA)
where:
Base-Base interactions energy: -179.203
where: short stacking energy: -106.812
Base-Backbone interact. energy: 2.875
local terms energy: -220.052852
where:
bonds (distance) C4'-P energy: -63.398
bonds (distance) P-C4' energy: -63.594
flat angles C4'-P-C4' energy: -56.525
flat angles P-C4'-P energy: -32.371
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -279.859441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.859441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.859441 (E_RNA)
where:
Base-Base interactions energy: -102.189
where: short stacking energy: -71.654
Base-Backbone interact. energy: 1.790
local terms energy: -179.460231
where:
bonds (distance) C4'-P energy: -65.150
bonds (distance) P-C4' energy: -60.238
flat angles C4'-P-C4' energy: -47.459
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: 19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -291.864441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.864441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.864441 (E_RNA)
where:
Base-Base interactions energy: -92.280
where: short stacking energy: -66.134
Base-Backbone interact. energy: 0.184
local terms energy: -199.768960
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -66.938
flat angles C4'-P-C4' energy: -47.129
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: 4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -271.052244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.052244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.052244 (E_RNA)
where:
Base-Base interactions energy: -94.081
where: short stacking energy: -63.922
Base-Backbone interact. energy: 0.217
local terms energy: -177.188286
where:
bonds (distance) C4'-P energy: -51.436
bonds (distance) P-C4' energy: -58.687
flat angles C4'-P-C4' energy: -48.853
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: 9.955
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)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 54759031
moves confirmed later: 60137804
all moves confirmed: 114896835
percent of confirmed moves: 14.362104
current total energy: -1020.815263
recalc. total energy: -1020.815263
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 59785759
moves confirmed later: 66008276
all moves confirmed: 125794035
percent of confirmed moves: 15.724254
current total energy: -1001.568933
recalc. total energy: -1001.568933
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 82682324
moves confirmed later: 95360959
all moves confirmed: 178043283
percent of confirmed moves: 22.255410
current total energy: -950.205374
recalc. total energy: -950.205374
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 65484432
moves confirmed later: 73442344
all moves confirmed: 138926776
percent of confirmed moves: 17.365847
current total energy: -878.595254
recalc. total energy: -878.595254
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 71121457
moves confirmed later: 80518146
all moves confirmed: 151639603
percent of confirmed moves: 18.954950
current total energy: -754.773071
recalc. total energy: -754.773071
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 107845888
moves confirmed later: 128524372
all moves confirmed: 236370260
percent of confirmed moves: 29.546283
current total energy: -444.414877
recalc. total energy: -444.414877
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 98224970
moves confirmed later: 116219220
all moves confirmed: 214444190
percent of confirmed moves: 26.805524
current total energy: -258.938933
recalc. total energy: -258.938933
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 126991060
moves confirmed later: 153766764
all moves confirmed: 280757824
percent of confirmed moves: 35.094728
current total energy: -209.168110
recalc. total energy: -209.168110
replica 10 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 128498654
moves confirmed later: 155761980
all moves confirmed: 284260634
percent of confirmed moves: 35.532579
current total energy: -235.073246
recalc. total energy: -235.073246
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 126954778
moves confirmed later: 154016922
all moves confirmed: 280971700
percent of confirmed moves: 35.121462
current total energy: -126.166090
recalc. total energy: -126.166090
out arg RESULTS//1/evo_ds-891f3468_01
Time of doing 8000000 iterations: 25084.159 seconds