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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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/Bmotif_wout_ss-0030e3ea/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Bmotif_wout_ss-0030e3ea/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUGGAACAGAUCUUCAUGAUCUCAGUGAA
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 61 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: 310
n_atoms_counter: 310
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 61.000000 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: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
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: 1
Temperature: 1.350000
Total energy: -248.994856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.994856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.994856 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.735843
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -347.533448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.533448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.533448 (E_RNA)
where:
Base-Base interactions energy: -173.505
where: short stacking energy: -124.049
Base-Backbone interact. energy: -0.219
local terms energy: -173.809899
where:
bonds (distance) C4'-P energy: -36.588
bonds (distance) P-C4' energy: -43.279
flat angles C4'-P-C4' energy: -41.475
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -26.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -305.048791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.048791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.048791 (E_RNA)
where:
Base-Base interactions energy: -127.025
where: short stacking energy: -122.959
Base-Backbone interact. energy: -0.115
local terms energy: -177.908613
where:
bonds (distance) C4'-P energy: -33.719
bonds (distance) P-C4' energy: -36.954
flat angles C4'-P-C4' energy: -45.962
flat angles P-C4'-P energy: -25.952
tors. eta vs tors. theta energy: -35.322
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: 2
Temperature: 1.000000
Total energy: -330.847324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.847324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.847324 (E_RNA)
where:
Base-Base interactions energy: -146.048
where: short stacking energy: -127.791
Base-Backbone interact. energy: 1.022
local terms energy: -185.821163
where:
bonds (distance) C4'-P energy: -43.891
bonds (distance) P-C4' energy: -45.349
flat angles C4'-P-C4' energy: -39.715
flat angles P-C4'-P energy: -30.558
tors. eta vs tors. theta energy: -26.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -272.670332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.670332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.670332 (E_RNA)
where:
Base-Base interactions energy: -116.957
where: short stacking energy: -88.490
Base-Backbone interact. energy: 0.909
local terms energy: -156.622607
where:
bonds (distance) C4'-P energy: -39.680
bonds (distance) P-C4' energy: -39.065
flat angles C4'-P-C4' energy: -33.815
flat angles P-C4'-P energy: -29.505
tors. eta vs tors. theta energy: -14.559
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -249.740436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.740436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.740436 (E_RNA)
where:
Base-Base interactions energy: -90.319
where: short stacking energy: -88.345
Base-Backbone interact. energy: -0.004
local terms energy: -159.417133
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -36.490
flat angles C4'-P-C4' energy: -39.178
flat angles P-C4'-P energy: -22.135
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -248.243390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.243390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.243390 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -236.984376
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -248.496152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.496152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.496152 (E_RNA)
where:
Base-Base interactions energy: -13.794
where: short stacking energy: -13.794
Base-Backbone interact. energy: -0.000
local terms energy: -234.701691
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -54.525
flat angles C4'-P-C4' energy: -43.794
flat angles P-C4'-P energy: -50.876
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -248.280632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.280632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.280632 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -237.021618
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -251.789837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.789837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.789837 (E_RNA)
where:
Base-Base interactions energy: -36.270
where: short stacking energy: -36.270
Base-Backbone interact. energy: -0.000
local terms energy: -215.519637
where:
bonds (distance) C4'-P energy: -51.469
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -44.348
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -22.788
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -248.157475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.157475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.157475 (E_RNA)
where:
Base-Base interactions energy: -11.259
where: short stacking energy: -11.259
Base-Backbone interact. energy: -0.000
local terms energy: -236.898461
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -26.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -424.173320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.173320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.173320 (E_RNA)
where:
Base-Base interactions energy: -233.590
where: short stacking energy: -145.678
Base-Backbone interact. energy: -0.172
local terms energy: -190.411225
where:
bonds (distance) C4'-P energy: -33.133
bonds (distance) P-C4' energy: -40.844
flat angles C4'-P-C4' energy: -40.307
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: -44.595
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -365.400107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.400107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.400107 (E_RNA)
where:
Base-Base interactions energy: -181.596
where: short stacking energy: -137.589
Base-Backbone interact. energy: 0.600
local terms energy: -184.404186
where:
bonds (distance) C4'-P energy: -37.670
bonds (distance) P-C4' energy: -41.796
flat angles C4'-P-C4' energy: -42.278
flat angles P-C4'-P energy: -29.508
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -285.215610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.215610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.215610 (E_RNA)
where:
Base-Base interactions energy: -118.807
where: short stacking energy: -112.903
Base-Backbone interact. energy: 0.534
local terms energy: -166.942209
where:
bonds (distance) C4'-P energy: -42.312
bonds (distance) P-C4' energy: -37.689
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -341.317429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.317429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.317429 (E_RNA)
where:
Base-Base interactions energy: -178.197
where: short stacking energy: -110.456
Base-Backbone interact. energy: -0.743
local terms energy: -162.377024
where:
bonds (distance) C4'-P energy: -40.706
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -31.574
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -245.839728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.839728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.839728 (E_RNA)
where:
Base-Base interactions energy: -100.356
where: short stacking energy: -69.345
Base-Backbone interact. energy: -0.634
local terms energy: -144.849677
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -42.835
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -217.133917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.133917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.133917 (E_RNA)
where:
Base-Base interactions energy: -97.920
where: short stacking energy: -58.020
Base-Backbone interact. energy: 0.572
local terms energy: -119.785817
where:
bonds (distance) C4'-P energy: -35.947
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -0.106
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: 3
Temperature: 1.200000
Total energy: -231.904166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.904166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.904166 (E_RNA)
where:
Base-Base interactions energy: -91.765
where: short stacking energy: -73.925
Base-Backbone interact. energy: -0.933
local terms energy: -139.206085
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -41.750
flat angles C4'-P-C4' energy: -34.316
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -194.067239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.067239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.067239 (E_RNA)
where:
Base-Base interactions energy: -64.924
where: short stacking energy: -51.520
Base-Backbone interact. energy: -0.560
local terms energy: -128.582616
where:
bonds (distance) C4'-P energy: -43.413
bonds (distance) P-C4' energy: -41.617
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: 6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -183.929762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.929762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.929762 (E_RNA)
where:
Base-Base interactions energy: -53.744
where: short stacking energy: -44.489
Base-Backbone interact. energy: -0.767
local terms energy: -129.419235
where:
bonds (distance) C4'-P energy: -37.236
bonds (distance) P-C4' energy: -35.302
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -164.411193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.411193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.411193 (E_RNA)
where:
Base-Base interactions energy: -71.322
where: short stacking energy: -29.287
Base-Backbone interact. energy: -1.011
local terms energy: -92.077462
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: 11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -471.090280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.090280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.090280 (E_RNA)
where:
Base-Base interactions energy: -288.653
where: short stacking energy: -155.211
Base-Backbone interact. energy: -0.776
local terms energy: -181.660682
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -36.281
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -36.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -383.660298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.660298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.660298 (E_RNA)
where:
Base-Base interactions energy: -203.761
where: short stacking energy: -140.761
Base-Backbone interact. energy: -0.582
local terms energy: -179.317188
where:
bonds (distance) C4'-P energy: -41.257
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -36.178
flat angles P-C4'-P energy: -32.227
tors. eta vs tors. theta energy: -35.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -376.587797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.587797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.587797 (E_RNA)
where:
Base-Base interactions energy: -209.160
where: short stacking energy: -140.625
Base-Backbone interact. energy: 0.297
local terms energy: -167.724848
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -38.810
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -29.541
tors. eta vs tors. theta energy: -30.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -340.438244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.438244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.438244 (E_RNA)
where:
Base-Base interactions energy: -193.084
where: short stacking energy: -83.266
Base-Backbone interact. energy: -0.693
local terms energy: -146.660762
where:
bonds (distance) C4'-P energy: -39.940
bonds (distance) P-C4' energy: -33.247
flat angles C4'-P-C4' energy: -41.422
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -315.054651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.054651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.054651 (E_RNA)
where:
Base-Base interactions energy: -162.759
where: short stacking energy: -107.362
Base-Backbone interact. energy: -2.793
local terms energy: -149.501863
where:
bonds (distance) C4'-P energy: -35.007
bonds (distance) P-C4' energy: -35.766
flat angles C4'-P-C4' energy: -34.236
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -18.337
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: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -234.497801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.497801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.497801 (E_RNA)
where:
Base-Base interactions energy: -85.568
where: short stacking energy: -50.851
Base-Backbone interact. energy: -0.074
local terms energy: -148.856432
where:
bonds (distance) C4'-P energy: -38.332
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -33.711
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -241.513663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.513663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.513663 (E_RNA)
where:
Base-Base interactions energy: -102.028
where: short stacking energy: -74.237
Base-Backbone interact. energy: -1.492
local terms energy: -137.993612
where:
bonds (distance) C4'-P energy: -43.133
bonds (distance) P-C4' energy: -45.869
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -7.568
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: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -215.884756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.884756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.884756 (E_RNA)
where:
Base-Base interactions energy: -84.592
where: short stacking energy: -54.419
Base-Backbone interact. energy: -0.903
local terms energy: -130.390242
where:
bonds (distance) C4'-P energy: -40.634
bonds (distance) P-C4' energy: -35.291
flat angles C4'-P-C4' energy: -32.287
flat angles P-C4'-P energy: -16.643
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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -227.137329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.137329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.137329 (E_RNA)
where:
Base-Base interactions energy: -99.114
where: short stacking energy: -59.283
Base-Backbone interact. energy: -0.507
local terms energy: -127.516953
where:
bonds (distance) C4'-P energy: -31.757
bonds (distance) P-C4' energy: -35.289
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -179.682502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.682502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.682502 (E_RNA)
where:
Base-Base interactions energy: -60.075
where: short stacking energy: -53.508
Base-Backbone interact. energy: -0.373
local terms energy: -119.235040
where:
bonds (distance) C4'-P energy: -34.964
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -487.135361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.135361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.135361 (E_RNA)
where:
Base-Base interactions energy: -302.969
where: short stacking energy: -144.766
Base-Backbone interact. energy: 1.463
local terms energy: -185.629682
where:
bonds (distance) C4'-P energy: -39.923
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -40.036
flat angles P-C4'-P energy: -23.469
tors. eta vs tors. theta energy: -42.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -386.948577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.948577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.948577 (E_RNA)
where:
Base-Base interactions energy: -208.423
where: short stacking energy: -126.316
Base-Backbone interact. energy: -0.797
local terms energy: -177.727979
where:
bonds (distance) C4'-P energy: -30.598
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -41.020
flat angles P-C4'-P energy: -27.188
tors. eta vs tors. theta energy: -34.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -431.977648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.977648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.977648 (E_RNA)
where:
Base-Base interactions energy: -249.715
where: short stacking energy: -145.141
Base-Backbone interact. energy: 1.371
local terms energy: -183.633603
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -37.161
flat angles C4'-P-C4' energy: -43.970
flat angles P-C4'-P energy: -29.202
tors. eta vs tors. theta energy: -38.367
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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -356.470607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.470607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.470607 (E_RNA)
where:
Base-Base interactions energy: -211.261
where: short stacking energy: -118.755
Base-Backbone interact. energy: -0.539
local terms energy: -144.670665
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -41.050
flat angles P-C4'-P energy: -22.219
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: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -368.571985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.571985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.571985 (E_RNA)
where:
Base-Base interactions energy: -221.001
where: short stacking energy: -99.040
Base-Backbone interact. energy: -0.610
local terms energy: -146.960348
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -35.682
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -23.814
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -262.725845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.725845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.725845 (E_RNA)
where:
Base-Base interactions energy: -120.586
where: short stacking energy: -87.293
Base-Backbone interact. energy: 0.990
local terms energy: -143.130006
where:
bonds (distance) C4'-P energy: -36.121
bonds (distance) P-C4' energy: -43.499
flat angles C4'-P-C4' energy: -34.103
flat angles P-C4'-P energy: -20.219
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: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -221.844762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.844762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.844762 (E_RNA)
where:
Base-Base interactions energy: -80.945
where: short stacking energy: -75.402
Base-Backbone interact. energy: -0.908
local terms energy: -139.991702
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -38.872
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -15.565
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: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -200.514483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.514483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.514483 (E_RNA)
where:
Base-Base interactions energy: -89.683
where: short stacking energy: -53.547
Base-Backbone interact. energy: -1.030
local terms energy: -109.801344
where:
bonds (distance) C4'-P energy: -39.415
bonds (distance) P-C4' energy: -36.014
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: 6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -180.324105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.324105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.324105 (E_RNA)
where:
Base-Base interactions energy: -56.867
where: short stacking energy: -50.052
Base-Backbone interact. energy: -0.697
local terms energy: -122.760046
where:
bonds (distance) C4'-P energy: -35.604
bonds (distance) P-C4' energy: -45.123
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: 8.192
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -177.480218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.480218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.480218 (E_RNA)
where:
Base-Base interactions energy: -87.742
where: short stacking energy: -53.117
Base-Backbone interact. energy: -1.692
local terms energy: -88.046400
where:
bonds (distance) C4'-P energy: -29.750
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: 7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -514.387285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.387285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.387285 (E_RNA)
where:
Base-Base interactions energy: -312.477
where: short stacking energy: -159.037
Base-Backbone interact. energy: -0.518
local terms energy: -201.392420
where:
bonds (distance) C4'-P energy: -39.647
bonds (distance) P-C4' energy: -42.783
flat angles C4'-P-C4' energy: -46.034
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -47.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -390.265450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.265450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.265450 (E_RNA)
where:
Base-Base interactions energy: -229.526
where: short stacking energy: -113.766
Base-Backbone interact. energy: -1.376
local terms energy: -159.363783
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -42.011
flat angles C4'-P-C4' energy: -27.926
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -23.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -448.039013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.039013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.039013 (E_RNA)
where:
Base-Base interactions energy: -280.444
where: short stacking energy: -123.629
Base-Backbone interact. energy: -0.396
local terms energy: -167.199090
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -32.310
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: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -381.235305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.235305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.235305 (E_RNA)
where:
Base-Base interactions energy: -233.704
where: short stacking energy: -119.294
Base-Backbone interact. energy: -0.058
local terms energy: -147.472977
where:
bonds (distance) C4'-P energy: -40.004
bonds (distance) P-C4' energy: -28.831
flat angles C4'-P-C4' energy: -44.683
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -388.439847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.439847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.439847 (E_RNA)
where:
Base-Base interactions energy: -224.796
where: short stacking energy: -119.203
Base-Backbone interact. energy: -0.881
local terms energy: -162.762383
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -35.932
flat angles C4'-P-C4' energy: -43.018
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -29.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -248.917930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.917930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.917930 (E_RNA)
where:
Base-Base interactions energy: -107.075
where: short stacking energy: -70.333
Base-Backbone interact. energy: -1.086
local terms energy: -140.757320
where:
bonds (distance) C4'-P energy: -40.845
bonds (distance) P-C4' energy: -35.866
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -22.409
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: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -232.480634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.480634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.480634 (E_RNA)
where:
Base-Base interactions energy: -116.492
where: short stacking energy: -66.019
Base-Backbone interact. energy: 1.246
local terms energy: -117.234023
where:
bonds (distance) C4'-P energy: -32.389
bonds (distance) P-C4' energy: -27.161
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -1.169
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: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -223.234148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.234148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.234148 (E_RNA)
where:
Base-Base interactions energy: -67.635
where: short stacking energy: -62.888
Base-Backbone interact. energy: 0.276
local terms energy: -155.874831
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -46.092
flat angles C4'-P-C4' energy: -35.783
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -12.225
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: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -185.640919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.640919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.640919 (E_RNA)
where:
Base-Base interactions energy: -56.316
where: short stacking energy: -53.040
Base-Backbone interact. energy: 2.731
local terms energy: -132.056109
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: 3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -184.959387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.959387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.959387 (E_RNA)
where:
Base-Base interactions energy: -73.279
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.448
local terms energy: -111.232198
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -32.440
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: 0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -523.741919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.741919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.741919 (E_RNA)
where:
Base-Base interactions energy: -333.153
where: short stacking energy: -166.033
Base-Backbone interact. energy: -1.165
local terms energy: -189.423543
where:
bonds (distance) C4'-P energy: -44.455
bonds (distance) P-C4' energy: -37.759
flat angles C4'-P-C4' energy: -37.092
flat angles P-C4'-P energy: -30.999
tors. eta vs tors. theta energy: -39.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -492.832156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.832156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.832156 (E_RNA)
where:
Base-Base interactions energy: -303.535
where: short stacking energy: -141.718
Base-Backbone interact. energy: 0.889
local terms energy: -190.186177
where:
bonds (distance) C4'-P energy: -35.545
bonds (distance) P-C4' energy: -39.186
flat angles C4'-P-C4' energy: -41.261
flat angles P-C4'-P energy: -31.507
tors. eta vs tors. theta energy: -42.687
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: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -382.018079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.018079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.018079 (E_RNA)
where:
Base-Base interactions energy: -224.535
where: short stacking energy: -117.013
Base-Backbone interact. energy: -0.926
local terms energy: -156.556599
where:
bonds (distance) C4'-P energy: -42.062
bonds (distance) P-C4' energy: -39.447
flat angles C4'-P-C4' energy: -30.373
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -393.716163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.716163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.716163 (E_RNA)
where:
Base-Base interactions energy: -229.736
where: short stacking energy: -131.743
Base-Backbone interact. energy: 0.012
local terms energy: -163.992272
where:
bonds (distance) C4'-P energy: -39.323
bonds (distance) P-C4' energy: -32.869
flat angles C4'-P-C4' energy: -42.161
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -362.896769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.896769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.896769 (E_RNA)
where:
Base-Base interactions energy: -207.663
where: short stacking energy: -117.877
Base-Backbone interact. energy: -0.920
local terms energy: -154.313380
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -27.955
flat angles C4'-P-C4' energy: -38.103
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -26.798
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: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -270.365191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.365191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.365191 (E_RNA)
where:
Base-Base interactions energy: -128.699
where: short stacking energy: -71.584
Base-Backbone interact. energy: -0.683
local terms energy: -140.982993
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -42.620
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -244.147373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.147373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.147373 (E_RNA)
where:
Base-Base interactions energy: -106.904
where: short stacking energy: -76.708
Base-Backbone interact. energy: -0.380
local terms energy: -136.862497
where:
bonds (distance) C4'-P energy: -36.149
bonds (distance) P-C4' energy: -33.008
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -23.783
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: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -225.469193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.469193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.469193 (E_RNA)
where:
Base-Base interactions energy: -84.794
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.823
local terms energy: -139.852603
where:
bonds (distance) C4'-P energy: -30.409
bonds (distance) P-C4' energy: -45.570
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -193.462315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.462315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.462315 (E_RNA)
where:
Base-Base interactions energy: -71.501
where: short stacking energy: -66.544
Base-Backbone interact. energy: -0.907
local terms energy: -121.054699
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -36.581
flat angles C4'-P-C4' energy: -39.519
flat angles P-C4'-P energy: -19.257
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -166.171260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.171260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.171260 (E_RNA)
where:
Base-Base interactions energy: -44.661
where: short stacking energy: -31.913
Base-Backbone interact. energy: 0.393
local terms energy: -121.903105
where:
bonds (distance) C4'-P energy: -27.125
bonds (distance) P-C4' energy: -41.734
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -26.640
tors. eta vs tors. theta energy: 3.111
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: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -529.859486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.859486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.859486 (E_RNA)
where:
Base-Base interactions energy: -339.045
where: short stacking energy: -160.493
Base-Backbone interact. energy: -0.249
local terms energy: -190.565557
where:
bonds (distance) C4'-P energy: -32.198
bonds (distance) P-C4' energy: -41.298
flat angles C4'-P-C4' energy: -45.506
flat angles P-C4'-P energy: -26.315
tors. eta vs tors. theta energy: -45.248
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: 8
Temperature: 0.950000
Total energy: -494.452639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.452639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.452639 (E_RNA)
where:
Base-Base interactions energy: -298.756
where: short stacking energy: -142.516
Base-Backbone interact. energy: -1.155
local terms energy: -194.542302
where:
bonds (distance) C4'-P energy: -41.342
bonds (distance) P-C4' energy: -39.837
flat angles C4'-P-C4' energy: -41.517
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -38.252
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: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -452.111312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.111312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.111312 (E_RNA)
where:
Base-Base interactions energy: -286.229
where: short stacking energy: -133.680
Base-Backbone interact. energy: -0.575
local terms energy: -165.307096
where:
bonds (distance) C4'-P energy: -44.914
bonds (distance) P-C4' energy: -31.550
flat angles C4'-P-C4' energy: -42.733
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -22.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -363.437342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.437342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.437342 (E_RNA)
where:
Base-Base interactions energy: -203.338
where: short stacking energy: -87.648
Base-Backbone interact. energy: 0.390
local terms energy: -160.489248
where:
bonds (distance) C4'-P energy: -38.513
bonds (distance) P-C4' energy: -39.882
flat angles C4'-P-C4' energy: -38.544
flat angles P-C4'-P energy: -30.863
tors. eta vs tors. theta energy: -12.686
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: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -333.055370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.055370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.055370 (E_RNA)
where:
Base-Base interactions energy: -191.267
where: short stacking energy: -79.557
Base-Backbone interact. energy: 0.181
local terms energy: -141.969604
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -35.524
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -17.511
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: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -271.169252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.169252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.169252 (E_RNA)
where:
Base-Base interactions energy: -140.460
where: short stacking energy: -85.204
Base-Backbone interact. energy: -1.006
local terms energy: -129.703342
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -34.088
flat angles C4'-P-C4' energy: -40.720
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -218.950028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.950028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.950028 (E_RNA)
where:
Base-Base interactions energy: -85.579
where: short stacking energy: -48.233
Base-Backbone interact. energy: 0.134
local terms energy: -133.504614
where:
bonds (distance) C4'-P energy: -37.197
bonds (distance) P-C4' energy: -39.268
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: 1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -225.474082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.474082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.474082 (E_RNA)
where:
Base-Base interactions energy: -87.755
where: short stacking energy: -60.223
Base-Backbone interact. energy: -0.441
local terms energy: -137.277908
where:
bonds (distance) C4'-P energy: -37.345
bonds (distance) P-C4' energy: -39.007
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -185.618010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.618010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.618010 (E_RNA)
where:
Base-Base interactions energy: -63.407
where: short stacking energy: -63.901
Base-Backbone interact. energy: 1.222
local terms energy: -123.433421
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -32.035
flat angles P-C4'-P energy: -27.581
tors. eta vs tors. theta energy: 0.619
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: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -190.687683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.687683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.687683 (E_RNA)
where:
Base-Base interactions energy: -79.960
where: short stacking energy: -55.154
Base-Backbone interact. energy: 1.177
local terms energy: -111.904253
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: 8.230
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: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -545.502333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.502333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.502333 (E_RNA)
where:
Base-Base interactions energy: -338.548
where: short stacking energy: -164.922
Base-Backbone interact. energy: -0.839
local terms energy: -206.114697
where:
bonds (distance) C4'-P energy: -38.960
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -37.913
flat angles P-C4'-P energy: -31.281
tors. eta vs tors. theta energy: -49.541
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: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -498.125959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.125959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.125959 (E_RNA)
where:
Base-Base interactions energy: -314.882
where: short stacking energy: -154.676
Base-Backbone interact. energy: -0.796
local terms energy: -182.448088
where:
bonds (distance) C4'-P energy: -40.104
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -38.153
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -40.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -473.532997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.532997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.532997 (E_RNA)
where:
Base-Base interactions energy: -302.329
where: short stacking energy: -128.849
Base-Backbone interact. energy: -0.428
local terms energy: -170.775446
where:
bonds (distance) C4'-P energy: -38.814
bonds (distance) P-C4' energy: -39.463
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -30.993
tors. eta vs tors. theta energy: -29.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -364.151485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.151485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.151485 (E_RNA)
where:
Base-Base interactions energy: -206.485
where: short stacking energy: -118.064
Base-Backbone interact. energy: -0.778
local terms energy: -156.888345
where:
bonds (distance) C4'-P energy: -35.467
bonds (distance) P-C4' energy: -35.155
flat angles C4'-P-C4' energy: -41.367
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -21.469
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: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -308.596196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.596196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.596196 (E_RNA)
where:
Base-Base interactions energy: -149.831
where: short stacking energy: -91.206
Base-Backbone interact. energy: 0.476
local terms energy: -159.240938
where:
bonds (distance) C4'-P energy: -37.339
bonds (distance) P-C4' energy: -41.860
flat angles C4'-P-C4' energy: -35.689
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -26.346
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: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -227.095976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.095976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.095976 (E_RNA)
where:
Base-Base interactions energy: -79.459
where: short stacking energy: -57.172
Base-Backbone interact. energy: -0.009
local terms energy: -147.627871
where:
bonds (distance) C4'-P energy: -37.635
bonds (distance) P-C4' energy: -40.725
flat angles C4'-P-C4' energy: -42.720
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -215.362771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.362771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.362771 (E_RNA)
where:
Base-Base interactions energy: -71.630
where: short stacking energy: -54.983
Base-Backbone interact. energy: 0.387
local terms energy: -144.119674
where:
bonds (distance) C4'-P energy: -31.322
bonds (distance) P-C4' energy: -47.115
flat angles C4'-P-C4' energy: -40.876
flat angles P-C4'-P energy: -27.771
tors. eta vs tors. theta energy: 2.964
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: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -197.435650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.435650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.435650 (E_RNA)
where:
Base-Base interactions energy: -69.027
where: short stacking energy: -67.012
Base-Backbone interact. energy: 0.560
local terms energy: -128.969280
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -39.097
flat angles C4'-P-C4' energy: -32.552
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -179.204488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.204488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.204488 (E_RNA)
where:
Base-Base interactions energy: -66.791
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.162
local terms energy: -112.252121
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -30.958
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -171.552488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.552488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.552488 (E_RNA)
where:
Base-Base interactions energy: -52.378
where: short stacking energy: -44.135
Base-Backbone interact. energy: 0.741
local terms energy: -119.915903
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -36.922
flat angles C4'-P-C4' energy: -28.516
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: -3.220
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: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -555.713597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.713597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.713597 (E_RNA)
where:
Base-Base interactions energy: -349.928
where: short stacking energy: -175.965
Base-Backbone interact. energy: -0.400
local terms energy: -205.385529
where:
bonds (distance) C4'-P energy: -36.940
bonds (distance) P-C4' energy: -45.079
flat angles C4'-P-C4' energy: -39.024
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -51.506
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -525.969230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.969230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.969230 (E_RNA)
where:
Base-Base interactions energy: -321.861
where: short stacking energy: -156.660
Base-Backbone interact. energy: -1.429
local terms energy: -202.678797
where:
bonds (distance) C4'-P energy: -34.262
bonds (distance) P-C4' energy: -42.178
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -29.265
tors. eta vs tors. theta energy: -51.841
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: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -470.854337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.854337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.854337 (E_RNA)
where:
Base-Base interactions energy: -282.671
where: short stacking energy: -139.522
Base-Backbone interact. energy: -0.459
local terms energy: -187.724137
where:
bonds (distance) C4'-P energy: -46.302
bonds (distance) P-C4' energy: -40.645
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -31.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -405.369691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.369691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.369691 (E_RNA)
where:
Base-Base interactions energy: -239.084
where: short stacking energy: -117.276
Base-Backbone interact. energy: -1.299
local terms energy: -164.986887
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -38.281
flat angles C4'-P-C4' energy: -41.672
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -27.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -298.391741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.391741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.391741 (E_RNA)
where:
Base-Base interactions energy: -137.655
where: short stacking energy: -101.940
Base-Backbone interact. energy: -0.254
local terms energy: -160.482633
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -40.455
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -28.907
tors. eta vs tors. theta energy: -29.421
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: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -232.163414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.163414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.163414 (E_RNA)
where:
Base-Base interactions energy: -77.691
where: short stacking energy: -74.643
Base-Backbone interact. energy: -0.129
local terms energy: -154.343262
where:
bonds (distance) C4'-P energy: -46.542
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -35.300
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -14.115
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: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -254.166062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.166062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.166062 (E_RNA)
where:
Base-Base interactions energy: -132.436
where: short stacking energy: -67.210
Base-Backbone interact. energy: 0.086
local terms energy: -121.815908
where:
bonds (distance) C4'-P energy: -34.598
bonds (distance) P-C4' energy: -41.766
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -215.157625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.157625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.157625 (E_RNA)
where:
Base-Base interactions energy: -85.394
where: short stacking energy: -65.705
Base-Backbone interact. energy: -0.099
local terms energy: -129.664695
where:
bonds (distance) C4'-P energy: -40.840
bonds (distance) P-C4' energy: -42.126
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: 4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -169.877673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.877673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.877673 (E_RNA)
where:
Base-Base interactions energy: -61.806
where: short stacking energy: -40.714
Base-Backbone interact. energy: 0.642
local terms energy: -108.713689
where:
bonds (distance) C4'-P energy: -22.832
bonds (distance) P-C4' energy: -37.689
flat angles C4'-P-C4' energy: -39.970
flat angles P-C4'-P energy: -18.874
tors. eta vs tors. theta energy: 10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -166.567105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.567105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.567105 (E_RNA)
where:
Base-Base interactions energy: -62.064
where: short stacking energy: -54.592
Base-Backbone interact. energy: 1.646
local terms energy: -106.148800
where:
bonds (distance) C4'-P energy: -35.413
bonds (distance) P-C4' energy: -35.502
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: 3.664
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: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -561.281402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.281402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.281402 (E_RNA)
where:
Base-Base interactions energy: -357.527
where: short stacking energy: -176.529
Base-Backbone interact. energy: -0.965
local terms energy: -202.789414
where:
bonds (distance) C4'-P energy: -42.723
bonds (distance) P-C4' energy: -37.629
flat angles C4'-P-C4' energy: -39.594
flat angles P-C4'-P energy: -33.659
tors. eta vs tors. theta energy: -49.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -556.242401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.242401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.242401 (E_RNA)
where:
Base-Base interactions energy: -340.294
where: short stacking energy: -171.391
Base-Backbone interact. energy: -1.072
local terms energy: -214.876746
where:
bonds (distance) C4'-P energy: -41.372
bonds (distance) P-C4' energy: -42.245
flat angles C4'-P-C4' energy: -41.209
flat angles P-C4'-P energy: -35.468
tors. eta vs tors. theta energy: -54.583
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: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -468.270515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.270515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.270515 (E_RNA)
where:
Base-Base interactions energy: -301.413
where: short stacking energy: -130.462
Base-Backbone interact. energy: -0.355
local terms energy: -166.502888
where:
bonds (distance) C4'-P energy: -39.545
bonds (distance) P-C4' energy: -41.237
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -32.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -414.402044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.402044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.402044 (E_RNA)
where:
Base-Base interactions energy: -243.332
where: short stacking energy: -118.144
Base-Backbone interact. energy: -1.612
local terms energy: -169.458668
where:
bonds (distance) C4'-P energy: -34.958
bonds (distance) P-C4' energy: -44.980
flat angles C4'-P-C4' energy: -39.861
flat angles P-C4'-P energy: -23.442
tors. eta vs tors. theta energy: -26.217
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: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -259.389489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.389489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.389489 (E_RNA)
where:
Base-Base interactions energy: -112.546
where: short stacking energy: -96.893
Base-Backbone interact. energy: -0.567
local terms energy: -146.277082
where:
bonds (distance) C4'-P energy: -30.983
bonds (distance) P-C4' energy: -37.369
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -28.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -293.649124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.649124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.649124 (E_RNA)
where:
Base-Base interactions energy: -155.034
where: short stacking energy: -92.831
Base-Backbone interact. energy: -0.382
local terms energy: -138.232960
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -33.905
flat angles C4'-P-C4' energy: -36.312
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -12.060
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: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -220.948636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.948636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.948636 (E_RNA)
where:
Base-Base interactions energy: -73.871
where: short stacking energy: -61.589
Base-Backbone interact. energy: -0.882
local terms energy: -146.195180
where:
bonds (distance) C4'-P energy: -39.695
bonds (distance) P-C4' energy: -40.340
flat angles C4'-P-C4' energy: -38.635
flat angles P-C4'-P energy: -27.144
tors. eta vs tors. theta energy: -0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -210.893088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.893088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.893088 (E_RNA)
where:
Base-Base interactions energy: -77.938
where: short stacking energy: -66.103
Base-Backbone interact. energy: -1.216
local terms energy: -131.739339
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -41.959
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -16.944
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: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -220.441694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.441694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.441694 (E_RNA)
where:
Base-Base interactions energy: -106.916
where: short stacking energy: -75.592
Base-Backbone interact. energy: -1.919
local terms energy: -111.607126
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -34.938
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -16.872
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: 11
Temperature: 1.350000
Total energy: -180.615031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.615031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.615031 (E_RNA)
where:
Base-Base interactions energy: -60.638
where: short stacking energy: -55.434
Base-Backbone interact. energy: -0.765
local terms energy: -119.211610
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -562.776535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.776535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.776535 (E_RNA)
where:
Base-Base interactions energy: -354.225
where: short stacking energy: -168.209
Base-Backbone interact. energy: -1.131
local terms energy: -207.420537
where:
bonds (distance) C4'-P energy: -41.405
bonds (distance) P-C4' energy: -41.487
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -33.462
tors. eta vs tors. theta energy: -47.171
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: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -539.863648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.863648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.863648 (E_RNA)
where:
Base-Base interactions energy: -338.460
where: short stacking energy: -170.160
Base-Backbone interact. energy: -0.285
local terms energy: -201.118420
where:
bonds (distance) C4'-P energy: -35.749
bonds (distance) P-C4' energy: -43.100
flat angles C4'-P-C4' energy: -41.482
flat angles P-C4'-P energy: -26.782
tors. eta vs tors. theta energy: -54.006
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: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -482.856541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.856541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.856541 (E_RNA)
where:
Base-Base interactions energy: -313.966
where: short stacking energy: -135.370
Base-Backbone interact. energy: -1.629
local terms energy: -167.261571
where:
bonds (distance) C4'-P energy: -40.353
bonds (distance) P-C4' energy: -41.861
flat angles C4'-P-C4' energy: -35.251
flat angles P-C4'-P energy: -21.024
tors. eta vs tors. theta energy: -28.772
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: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -465.296407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.296407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.296407 (E_RNA)
where:
Base-Base interactions energy: -288.609
where: short stacking energy: -134.206
Base-Backbone interact. energy: -0.845
local terms energy: -175.842322
where:
bonds (distance) C4'-P energy: -38.014
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -39.189
flat angles P-C4'-P energy: -29.723
tors. eta vs tors. theta energy: -31.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -315.467080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.467080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.467080 (E_RNA)
where:
Base-Base interactions energy: -163.253
where: short stacking energy: -79.345
Base-Backbone interact. energy: -1.110
local terms energy: -151.103598
where:
bonds (distance) C4'-P energy: -42.462
bonds (distance) P-C4' energy: -34.425
flat angles C4'-P-C4' energy: -38.829
flat angles P-C4'-P energy: -27.343
tors. eta vs tors. theta energy: -8.044
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: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -276.176115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.176115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.176115 (E_RNA)
where:
Base-Base interactions energy: -139.170
where: short stacking energy: -85.891
Base-Backbone interact. energy: -0.351
local terms energy: -136.655631
where:
bonds (distance) C4'-P energy: -31.323
bonds (distance) P-C4' energy: -41.352
flat angles C4'-P-C4' energy: -35.717
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -7.795
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: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -227.737142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.737142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.737142 (E_RNA)
where:
Base-Base interactions energy: -102.495
where: short stacking energy: -68.106
Base-Backbone interact. energy: 0.673
local terms energy: -125.915201
where:
bonds (distance) C4'-P energy: -29.005
bonds (distance) P-C4' energy: -30.625
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -203.677427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.677427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.677427 (E_RNA)
where:
Base-Base interactions energy: -78.711
where: short stacking energy: -48.432
Base-Backbone interact. energy: -0.213
local terms energy: -124.753489
where:
bonds (distance) C4'-P energy: -28.702
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -30.573
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: 4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -190.572844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.572844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.572844 (E_RNA)
where:
Base-Base interactions energy: -75.052
where: short stacking energy: -74.904
Base-Backbone interact. energy: 0.453
local terms energy: -115.973368
where:
bonds (distance) C4'-P energy: -32.845
bonds (distance) P-C4' energy: -36.099
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -174.769677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.769677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.769677 (E_RNA)
where:
Base-Base interactions energy: -73.425
where: short stacking energy: -47.787
Base-Backbone interact. energy: -0.103
local terms energy: -101.241453
where:
bonds (distance) C4'-P energy: -32.603
bonds (distance) P-C4' energy: -27.976
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: 4.137
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: 13
Temperature: 0.900000
Total energy: -545.612179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.612179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.612179 (E_RNA)
where:
Base-Base interactions energy: -336.972
where: short stacking energy: -167.025
Base-Backbone interact. energy: -1.466
local terms energy: -207.173347
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -43.031
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -30.096
tors. eta vs tors. theta energy: -53.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -543.883571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.883571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.883571 (E_RNA)
where:
Base-Base interactions energy: -354.162
where: short stacking energy: -164.607
Base-Backbone interact. energy: -0.789
local terms energy: -188.933415
where:
bonds (distance) C4'-P energy: -36.618
bonds (distance) P-C4' energy: -38.474
flat angles C4'-P-C4' energy: -42.197
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: -45.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -478.276012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.276012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.276012 (E_RNA)
where:
Base-Base interactions energy: -315.236
where: short stacking energy: -133.039
Base-Backbone interact. energy: -0.840
local terms energy: -162.199753
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -33.257
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -30.987
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: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -472.729042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.729042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.729042 (E_RNA)
where:
Base-Base interactions energy: -297.974
where: short stacking energy: -130.013
Base-Backbone interact. energy: -0.303
local terms energy: -174.452252
where:
bonds (distance) C4'-P energy: -39.997
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -42.101
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -28.607
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: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -311.864562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.864562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.864562 (E_RNA)
where:
Base-Base interactions energy: -170.548
where: short stacking energy: -111.249
Base-Backbone interact. energy: 0.060
local terms energy: -141.376499
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -35.301
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -290.333027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.333027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.333027 (E_RNA)
where:
Base-Base interactions energy: -149.331
where: short stacking energy: -83.389
Base-Backbone interact. energy: -0.688
local terms energy: -140.314866
where:
bonds (distance) C4'-P energy: -30.951
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -40.012
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -213.325388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.325388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.325388 (E_RNA)
where:
Base-Base interactions energy: -92.263
where: short stacking energy: -64.312
Base-Backbone interact. energy: 1.052
local terms energy: -122.114359
where:
bonds (distance) C4'-P energy: -36.617
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -187.144621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.144621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.144621 (E_RNA)
where:
Base-Base interactions energy: -61.699
where: short stacking energy: -53.899
Base-Backbone interact. energy: -1.110
local terms energy: -124.336202
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -33.685
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -21.730
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -192.692039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.692039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.692039 (E_RNA)
where:
Base-Base interactions energy: -68.222
where: short stacking energy: -40.671
Base-Backbone interact. energy: -0.524
local terms energy: -123.945848
where:
bonds (distance) C4'-P energy: -35.223
bonds (distance) P-C4' energy: -42.628
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: 0.642
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: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -174.879626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.879626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.879626 (E_RNA)
where:
Base-Base interactions energy: -60.198
where: short stacking energy: -44.242
Base-Backbone interact. energy: 3.111
local terms energy: -117.792262
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: 5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -574.858030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.858030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.858030 (E_RNA)
where:
Base-Base interactions energy: -368.767
where: short stacking energy: -179.926
Base-Backbone interact. energy: -0.370
local terms energy: -205.720720
where:
bonds (distance) C4'-P energy: -36.985
bonds (distance) P-C4' energy: -39.119
flat angles C4'-P-C4' energy: -39.970
flat angles P-C4'-P energy: -35.346
tors. eta vs tors. theta energy: -54.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -561.385731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.385731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.385731 (E_RNA)
where:
Base-Base interactions energy: -353.521
where: short stacking energy: -174.424
Base-Backbone interact. energy: -0.585
local terms energy: -207.279767
where:
bonds (distance) C4'-P energy: -41.425
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -46.218
flat angles P-C4'-P energy: -26.488
tors. eta vs tors. theta energy: -57.346
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: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -511.895966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.895966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.895966 (E_RNA)
where:
Base-Base interactions energy: -323.396
where: short stacking energy: -151.280
Base-Backbone interact. energy: -0.008
local terms energy: -188.491843
where:
bonds (distance) C4'-P energy: -42.397
bonds (distance) P-C4' energy: -42.091
flat angles C4'-P-C4' energy: -42.184
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -37.791
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: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -498.459849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.459849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.459849 (E_RNA)
where:
Base-Base interactions energy: -315.070
where: short stacking energy: -151.964
Base-Backbone interact. energy: -1.161
local terms energy: -182.229019
where:
bonds (distance) C4'-P energy: -42.865
bonds (distance) P-C4' energy: -41.189
flat angles C4'-P-C4' energy: -34.719
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -41.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -339.680957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.680957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.680957 (E_RNA)
where:
Base-Base interactions energy: -181.761
where: short stacking energy: -111.790
Base-Backbone interact. energy: -0.332
local terms energy: -157.587764
where:
bonds (distance) C4'-P energy: -40.514
bonds (distance) P-C4' energy: -44.883
flat angles C4'-P-C4' energy: -32.533
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -25.536
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: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -296.257927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.257927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.257927 (E_RNA)
where:
Base-Base interactions energy: -149.493
where: short stacking energy: -96.216
Base-Backbone interact. energy: -0.786
local terms energy: -145.979192
where:
bonds (distance) C4'-P energy: -35.878
bonds (distance) P-C4' energy: -44.503
flat angles C4'-P-C4' energy: -31.153
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -235.635900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.635900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.635900 (E_RNA)
where:
Base-Base interactions energy: -105.164
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.248
local terms energy: -130.224137
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -191.532944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.532944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.532944 (E_RNA)
where:
Base-Base interactions energy: -65.403
where: short stacking energy: -53.194
Base-Backbone interact. energy: -1.764
local terms energy: -124.366393
where:
bonds (distance) C4'-P energy: -31.078
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -36.608
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: 6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -187.937052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.937052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.937052 (E_RNA)
where:
Base-Base interactions energy: -57.852
where: short stacking energy: -52.054
Base-Backbone interact. energy: -2.038
local terms energy: -128.046583
where:
bonds (distance) C4'-P energy: -34.015
bonds (distance) P-C4' energy: -40.861
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: 6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -157.644785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.644785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.644785 (E_RNA)
where:
Base-Base interactions energy: -50.079
where: short stacking energy: -45.600
Base-Backbone interact. energy: 5.450
local terms energy: -113.015466
where:
bonds (distance) C4'-P energy: -31.767
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -28.347
flat angles P-C4'-P energy: -22.956
tors. eta vs tors. theta energy: 1.199
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: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -566.919226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.919226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.919226 (E_RNA)
where:
Base-Base interactions energy: -376.829
where: short stacking energy: -182.079
Base-Backbone interact. energy: -0.093
local terms energy: -189.997342
where:
bonds (distance) C4'-P energy: -39.802
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -42.496
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -50.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -564.680936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.680936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.680936 (E_RNA)
where:
Base-Base interactions energy: -351.908
where: short stacking energy: -170.306
Base-Backbone interact. energy: -0.488
local terms energy: -212.285534
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -35.631
flat angles C4'-P-C4' energy: -44.160
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -56.573
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: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -511.281122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.281122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.281122 (E_RNA)
where:
Base-Base interactions energy: -322.840
where: short stacking energy: -145.102
Base-Backbone interact. energy: -1.923
local terms energy: -186.517227
where:
bonds (distance) C4'-P energy: -32.636
bonds (distance) P-C4' energy: -42.597
flat angles C4'-P-C4' energy: -46.593
flat angles P-C4'-P energy: -26.694
tors. eta vs tors. theta energy: -37.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -519.114185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.114185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.114185 (E_RNA)
where:
Base-Base interactions energy: -335.020
where: short stacking energy: -151.446
Base-Backbone interact. energy: -0.283
local terms energy: -183.811350
where:
bonds (distance) C4'-P energy: -35.489
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -43.387
flat angles P-C4'-P energy: -25.430
tors. eta vs tors. theta energy: -42.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -322.424916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.424916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.424916 (E_RNA)
where:
Base-Base interactions energy: -161.807
where: short stacking energy: -105.001
Base-Backbone interact. energy: -0.569
local terms energy: -160.048761
where:
bonds (distance) C4'-P energy: -42.332
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -39.572
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -23.433
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: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -287.374288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.374288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.374288 (E_RNA)
where:
Base-Base interactions energy: -136.726
where: short stacking energy: -82.120
Base-Backbone interact. energy: -0.455
local terms energy: -150.193049
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -34.428
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -223.988129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.988129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.988129 (E_RNA)
where:
Base-Base interactions energy: -90.694
where: short stacking energy: -73.719
Base-Backbone interact. energy: 1.928
local terms energy: -135.221958
where:
bonds (distance) C4'-P energy: -36.874
bonds (distance) P-C4' energy: -34.120
flat angles C4'-P-C4' energy: -33.556
flat angles P-C4'-P energy: -25.418
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -210.730692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.730692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.730692 (E_RNA)
where:
Base-Base interactions energy: -90.370
where: short stacking energy: -80.671
Base-Backbone interact. energy: -0.494
local terms energy: -119.866724
where:
bonds (distance) C4'-P energy: -34.325
bonds (distance) P-C4' energy: -29.391
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -9.607
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: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -180.434094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.434094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.434094 (E_RNA)
where:
Base-Base interactions energy: -59.885
where: short stacking energy: -51.693
Base-Backbone interact. energy: -0.543
local terms energy: -120.006063
where:
bonds (distance) C4'-P energy: -34.010
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -3.846
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: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -197.900967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.900967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.900967 (E_RNA)
where:
Base-Base interactions energy: -95.863
where: short stacking energy: -62.238
Base-Backbone interact. energy: 1.725
local terms energy: -103.762883
where:
bonds (distance) C4'-P energy: -36.849
bonds (distance) P-C4' energy: -36.456
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -10.721
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: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -557.592979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.592979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.592979 (E_RNA)
where:
Base-Base interactions energy: -359.102
where: short stacking energy: -182.628
Base-Backbone interact. energy: -0.630
local terms energy: -197.861204
where:
bonds (distance) C4'-P energy: -39.777
bonds (distance) P-C4' energy: -29.058
flat angles C4'-P-C4' energy: -40.130
flat angles P-C4'-P energy: -31.548
tors. eta vs tors. theta energy: -57.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -534.077449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.077449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.077449 (E_RNA)
where:
Base-Base interactions energy: -337.903
where: short stacking energy: -161.650
Base-Backbone interact. energy: -1.652
local terms energy: -194.522405
where:
bonds (distance) C4'-P energy: -39.822
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -38.123
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -50.096
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -524.108689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.108689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.108689 (E_RNA)
where:
Base-Base interactions energy: -339.580
where: short stacking energy: -151.492
Base-Backbone interact. energy: -0.890
local terms energy: -183.638359
where:
bonds (distance) C4'-P energy: -46.323
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -42.293
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -37.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -486.830390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.830390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.830390 (E_RNA)
where:
Base-Base interactions energy: -322.685
where: short stacking energy: -138.871
Base-Backbone interact. energy: -1.409
local terms energy: -162.736044
where:
bonds (distance) C4'-P energy: -32.142
bonds (distance) P-C4' energy: -34.260
flat angles C4'-P-C4' energy: -30.949
flat angles P-C4'-P energy: -30.271
tors. eta vs tors. theta energy: -35.114
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: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -320.973151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.973151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.973151 (E_RNA)
where:
Base-Base interactions energy: -163.134
where: short stacking energy: -97.039
Base-Backbone interact. energy: 2.700
local terms energy: -160.538851
where:
bonds (distance) C4'-P energy: -37.409
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -41.197
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: -19.304
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: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -353.198255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.198255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.198255 (E_RNA)
where:
Base-Base interactions energy: -189.504
where: short stacking energy: -106.393
Base-Backbone interact. energy: -0.606
local terms energy: -163.088988
where:
bonds (distance) C4'-P energy: -35.401
bonds (distance) P-C4' energy: -38.781
flat angles C4'-P-C4' energy: -37.710
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -25.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -216.091090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.091090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.091090 (E_RNA)
where:
Base-Base interactions energy: -92.812
where: short stacking energy: -55.887
Base-Backbone interact. energy: 0.130
local terms energy: -123.408632
where:
bonds (distance) C4'-P energy: -35.427
bonds (distance) P-C4' energy: -44.016
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -0.804
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: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -247.404347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.404347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.404347 (E_RNA)
where:
Base-Base interactions energy: -127.678
where: short stacking energy: -65.497
Base-Backbone interact. energy: 2.179
local terms energy: -121.906245
where:
bonds (distance) C4'-P energy: -37.884
bonds (distance) P-C4' energy: -42.805
flat angles C4'-P-C4' energy: -29.906
flat angles P-C4'-P energy: -13.357
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: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -182.824738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.824738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.824738 (E_RNA)
where:
Base-Base interactions energy: -69.582
where: short stacking energy: -54.754
Base-Backbone interact. energy: -1.501
local terms energy: -111.741425
where:
bonds (distance) C4'-P energy: -31.850
bonds (distance) P-C4' energy: -30.978
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: 4.590
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: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -164.097376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.097376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.097376 (E_RNA)
where:
Base-Base interactions energy: -55.258
where: short stacking energy: -44.070
Base-Backbone interact. energy: -0.701
local terms energy: -108.138426
where:
bonds (distance) C4'-P energy: -34.734
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -579.757934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.757934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.757934 (E_RNA)
where:
Base-Base interactions energy: -367.018
where: short stacking energy: -182.342
Base-Backbone interact. energy: 0.323
local terms energy: -213.062844
where:
bonds (distance) C4'-P energy: -42.670
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -44.922
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: -57.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -535.533213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.533213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.533213 (E_RNA)
where:
Base-Base interactions energy: -337.734
where: short stacking energy: -148.730
Base-Backbone interact. energy: -1.571
local terms energy: -196.228246
where:
bonds (distance) C4'-P energy: -46.012
bonds (distance) P-C4' energy: -43.252
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -42.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -543.858319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.858319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.858319 (E_RNA)
where:
Base-Base interactions energy: -354.597
where: short stacking energy: -146.358
Base-Backbone interact. energy: -1.595
local terms energy: -187.665858
where:
bonds (distance) C4'-P energy: -37.555
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -41.731
flat angles P-C4'-P energy: -30.620
tors. eta vs tors. theta energy: -40.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -501.496015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.496015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.496015 (E_RNA)
where:
Base-Base interactions energy: -335.645
where: short stacking energy: -148.380
Base-Backbone interact. energy: -0.916
local terms energy: -164.935708
where:
bonds (distance) C4'-P energy: -32.876
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -35.457
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -38.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -338.364249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.364249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.364249 (E_RNA)
where:
Base-Base interactions energy: -189.154
where: short stacking energy: -103.120
Base-Backbone interact. energy: -1.468
local terms energy: -147.742694
where:
bonds (distance) C4'-P energy: -35.354
bonds (distance) P-C4' energy: -39.703
flat angles C4'-P-C4' energy: -33.080
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -399.069287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.069287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.069287 (E_RNA)
where:
Base-Base interactions energy: -243.051
where: short stacking energy: -132.573
Base-Backbone interact. energy: -0.328
local terms energy: -155.690919
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -42.246
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -34.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -251.243417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.243417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.243417 (E_RNA)
where:
Base-Base interactions energy: -102.143
where: short stacking energy: -73.422
Base-Backbone interact. energy: -0.860
local terms energy: -148.239738
where:
bonds (distance) C4'-P energy: -40.576
bonds (distance) P-C4' energy: -38.509
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -255.276488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.276488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.276488 (E_RNA)
where:
Base-Base interactions energy: -120.908
where: short stacking energy: -58.939
Base-Backbone interact. energy: -0.825
local terms energy: -133.543568
where:
bonds (distance) C4'-P energy: -36.282
bonds (distance) P-C4' energy: -40.253
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -14.855
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -182.413002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.413002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.413002 (E_RNA)
where:
Base-Base interactions energy: -60.050
where: short stacking energy: -33.547
Base-Backbone interact. energy: -0.577
local terms energy: -121.785673
where:
bonds (distance) C4'-P energy: -30.206
bonds (distance) P-C4' energy: -36.740
flat angles C4'-P-C4' energy: -38.671
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: 11.077
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: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -188.634801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.634801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.634801 (E_RNA)
where:
Base-Base interactions energy: -63.333
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.679
local terms energy: -124.622694
where:
bonds (distance) C4'-P energy: -39.344
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -575.947610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.947610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.947610 (E_RNA)
where:
Base-Base interactions energy: -359.801
where: short stacking energy: -178.499
Base-Backbone interact. energy: -0.699
local terms energy: -215.446995
where:
bonds (distance) C4'-P energy: -40.175
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -44.485
flat angles P-C4'-P energy: -26.950
tors. eta vs tors. theta energy: -60.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -550.684054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.684054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.684054 (E_RNA)
where:
Base-Base interactions energy: -360.849
where: short stacking energy: -163.733
Base-Backbone interact. energy: 0.320
local terms energy: -190.155311
where:
bonds (distance) C4'-P energy: -36.406
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -43.642
flat angles P-C4'-P energy: -30.826
tors. eta vs tors. theta energy: -41.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -558.085576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.085576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.085576 (E_RNA)
where:
Base-Base interactions energy: -366.538
where: short stacking energy: -155.624
Base-Backbone interact. energy: -1.310
local terms energy: -190.237209
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -41.383
flat angles C4'-P-C4' energy: -43.430
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -42.199
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: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -489.606241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.606241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.606241 (E_RNA)
where:
Base-Base interactions energy: -310.824
where: short stacking energy: -133.543
Base-Backbone interact. energy: 0.889
local terms energy: -179.671577
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -38.916
flat angles P-C4'-P energy: -27.190
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -402.452940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.452940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.452940 (E_RNA)
where:
Base-Base interactions energy: -225.887
where: short stacking energy: -127.369
Base-Backbone interact. energy: -0.732
local terms energy: -175.833161
where:
bonds (distance) C4'-P energy: -36.393
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -43.474
flat angles P-C4'-P energy: -25.512
tors. eta vs tors. theta energy: -31.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -327.951296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.951296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.951296 (E_RNA)
where:
Base-Base interactions energy: -175.627
where: short stacking energy: -97.218
Base-Backbone interact. energy: 0.642
local terms energy: -152.965514
where:
bonds (distance) C4'-P energy: -38.370
bonds (distance) P-C4' energy: -41.359
flat angles C4'-P-C4' energy: -31.780
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -231.873553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.873553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.873553 (E_RNA)
where:
Base-Base interactions energy: -98.658
where: short stacking energy: -53.282
Base-Backbone interact. energy: -1.636
local terms energy: -131.579537
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -45.546
flat angles C4'-P-C4' energy: -24.397
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -188.198630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.198630 (E_RNA)
where:
Base-Base interactions energy: -77.393
where: short stacking energy: -55.452
Base-Backbone interact. energy: 0.467
local terms energy: -111.272772
where:
bonds (distance) C4'-P energy: -31.767
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -170.847815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.847815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.847815 (E_RNA)
where:
Base-Base interactions energy: -51.726
where: short stacking energy: -48.737
Base-Backbone interact. energy: 0.896
local terms energy: -120.018088
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -39.557
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: 3.227
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: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -182.890482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.890482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.890482 (E_RNA)
where:
Base-Base interactions energy: -71.380
where: short stacking energy: -58.450
Base-Backbone interact. energy: 0.720
local terms energy: -112.229667
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -40.330
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -585.724945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.724945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.724945 (E_RNA)
where:
Base-Base interactions energy: -374.853
where: short stacking energy: -192.123
Base-Backbone interact. energy: -0.266
local terms energy: -210.605906
where:
bonds (distance) C4'-P energy: -41.588
bonds (distance) P-C4' energy: -39.574
flat angles C4'-P-C4' energy: -43.902
flat angles P-C4'-P energy: -31.649
tors. eta vs tors. theta energy: -53.892
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: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -571.544842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.544842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.544842 (E_RNA)
where:
Base-Base interactions energy: -374.886
where: short stacking energy: -170.047
Base-Backbone interact. energy: -0.570
local terms energy: -196.089086
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -40.578
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -32.238
tors. eta vs tors. theta energy: -41.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -539.915542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.915542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.915542 (E_RNA)
where:
Base-Base interactions energy: -352.882
where: short stacking energy: -154.163
Base-Backbone interact. energy: -0.019
local terms energy: -187.013793
where:
bonds (distance) C4'-P energy: -36.815
bonds (distance) P-C4' energy: -36.521
flat angles C4'-P-C4' energy: -42.491
flat angles P-C4'-P energy: -26.458
tors. eta vs tors. theta energy: -44.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -506.715811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.715811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.715811 (E_RNA)
where:
Base-Base interactions energy: -312.903
where: short stacking energy: -143.800
Base-Backbone interact. energy: 0.730
local terms energy: -194.543223
where:
bonds (distance) C4'-P energy: -40.950
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -38.419
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: -47.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -393.733081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.733081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.733081 (E_RNA)
where:
Base-Base interactions energy: -218.933
where: short stacking energy: -112.908
Base-Backbone interact. energy: -0.556
local terms energy: -174.244283
where:
bonds (distance) C4'-P energy: -37.270
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -38.012
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -36.101
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: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -301.931633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.931633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.931633 (E_RNA)
where:
Base-Base interactions energy: -163.815
where: short stacking energy: -83.482
Base-Backbone interact. energy: -1.522
local terms energy: -136.594712
where:
bonds (distance) C4'-P energy: -32.914
bonds (distance) P-C4' energy: -41.237
flat angles C4'-P-C4' energy: -36.275
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -224.427492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.427492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.427492 (E_RNA)
where:
Base-Base interactions energy: -98.765
where: short stacking energy: -74.439
Base-Backbone interact. energy: 0.924
local terms energy: -126.586759
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -37.946
flat angles C4'-P-C4' energy: -35.945
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -214.164021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.164021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.164021 (E_RNA)
where:
Base-Base interactions energy: -89.164
where: short stacking energy: -60.487
Base-Backbone interact. energy: -0.262
local terms energy: -124.737535
where:
bonds (distance) C4'-P energy: -29.988
bonds (distance) P-C4' energy: -37.226
flat angles C4'-P-C4' energy: -38.355
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -176.813461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.813461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.813461 (E_RNA)
where:
Base-Base interactions energy: -53.337
where: short stacking energy: -46.637
Base-Backbone interact. energy: -1.553
local terms energy: -121.923242
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -31.794
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -26.283
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -177.191347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.191347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.191347 (E_RNA)
where:
Base-Base interactions energy: -66.077
where: short stacking energy: -58.717
Base-Backbone interact. energy: 1.414
local terms energy: -112.528535
where:
bonds (distance) C4'-P energy: -31.527
bonds (distance) P-C4' energy: -35.476
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -594.370689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.370689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.370689 (E_RNA)
where:
Base-Base interactions energy: -383.248
where: short stacking energy: -186.941
Base-Backbone interact. energy: -0.805
local terms energy: -210.317308
where:
bonds (distance) C4'-P energy: -40.756
bonds (distance) P-C4' energy: -40.768
flat angles C4'-P-C4' energy: -37.849
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -57.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -576.195359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.195359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.195359 (E_RNA)
where:
Base-Base interactions energy: -367.939
where: short stacking energy: -175.909
Base-Backbone interact. energy: -0.445
local terms energy: -207.811873
where:
bonds (distance) C4'-P energy: -40.401
bonds (distance) P-C4' energy: -39.152
flat angles C4'-P-C4' energy: -43.436
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -57.047
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: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -556.677269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.677269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.677269 (E_RNA)
where:
Base-Base interactions energy: -359.256
where: short stacking energy: -163.216
Base-Backbone interact. energy: -0.175
local terms energy: -197.245818
where:
bonds (distance) C4'-P energy: -32.629
bonds (distance) P-C4' energy: -43.752
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -50.148
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: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -503.533950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.533950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.533950 (E_RNA)
where:
Base-Base interactions energy: -320.569
where: short stacking energy: -125.690
Base-Backbone interact. energy: -0.602
local terms energy: -182.363131
where:
bonds (distance) C4'-P energy: -41.803
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -43.244
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -37.188
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: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -383.985385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.985385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.985385 (E_RNA)
where:
Base-Base interactions energy: -228.782
where: short stacking energy: -107.361
Base-Backbone interact. energy: -1.039
local terms energy: -154.164557
where:
bonds (distance) C4'-P energy: -29.383
bonds (distance) P-C4' energy: -41.033
flat angles C4'-P-C4' energy: -41.354
flat angles P-C4'-P energy: -25.246
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -280.577519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.577519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.577519 (E_RNA)
where:
Base-Base interactions energy: -128.503
where: short stacking energy: -81.855
Base-Backbone interact. energy: 2.053
local terms energy: -154.127628
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -36.701
flat angles P-C4'-P energy: -20.545
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: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -278.249778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.249778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.249778 (E_RNA)
where:
Base-Base interactions energy: -139.426
where: short stacking energy: -76.704
Base-Backbone interact. energy: -0.898
local terms energy: -137.925492
where:
bonds (distance) C4'-P energy: -39.268
bonds (distance) P-C4' energy: -35.409
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -25.388
tors. eta vs tors. theta energy: -6.024
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: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -190.066282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.066282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.066282 (E_RNA)
where:
Base-Base interactions energy: -75.273
where: short stacking energy: -42.065
Base-Backbone interact. energy: -2.045
local terms energy: -112.748038
where:
bonds (distance) C4'-P energy: -35.045
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -33.231
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: 5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -201.515721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.515721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.515721 (E_RNA)
where:
Base-Base interactions energy: -67.476
where: short stacking energy: -64.863
Base-Backbone interact. energy: -0.359
local terms energy: -133.680784
where:
bonds (distance) C4'-P energy: -36.031
bonds (distance) P-C4' energy: -39.540
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: 0.042
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -177.902575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.902575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.902575 (E_RNA)
where:
Base-Base interactions energy: -59.567
where: short stacking energy: -53.605
Base-Backbone interact. energy: 2.595
local terms energy: -120.931369
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -33.946
flat angles C4'-P-C4' energy: -32.430
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -587.007255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.007255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.007255 (E_RNA)
where:
Base-Base interactions energy: -378.242
where: short stacking energy: -182.946
Base-Backbone interact. energy: -1.155
local terms energy: -207.610101
where:
bonds (distance) C4'-P energy: -38.324
bonds (distance) P-C4' energy: -42.186
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -50.845
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: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -572.068402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.068402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.068402 (E_RNA)
where:
Base-Base interactions energy: -369.971
where: short stacking energy: -159.275
Base-Backbone interact. energy: -1.560
local terms energy: -200.537315
where:
bonds (distance) C4'-P energy: -39.927
bonds (distance) P-C4' energy: -42.707
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -27.259
tors. eta vs tors. theta energy: -47.921
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: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -550.497439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.497439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.497439 (E_RNA)
where:
Base-Base interactions energy: -351.449
where: short stacking energy: -153.614
Base-Backbone interact. energy: 0.266
local terms energy: -199.315069
where:
bonds (distance) C4'-P energy: -42.918
bonds (distance) P-C4' energy: -39.578
flat angles C4'-P-C4' energy: -37.609
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -47.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -521.998593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.998593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.998593 (E_RNA)
where:
Base-Base interactions energy: -358.759
where: short stacking energy: -145.294
Base-Backbone interact. energy: -0.488
local terms energy: -162.751616
where:
bonds (distance) C4'-P energy: -37.678
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -35.151
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -34.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -397.895745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.895745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.895745 (E_RNA)
where:
Base-Base interactions energy: -243.486
where: short stacking energy: -101.088
Base-Backbone interact. energy: -1.302
local terms energy: -153.107165
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -33.319
flat angles C4'-P-C4' energy: -32.679
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -310.312659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.312659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.312659 (E_RNA)
where:
Base-Base interactions energy: -178.011
where: short stacking energy: -97.282
Base-Backbone interact. energy: -0.932
local terms energy: -131.370400
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -36.977
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: -11.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -246.887862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.887862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.887862 (E_RNA)
where:
Base-Base interactions energy: -121.816
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.399
local terms energy: -124.673370
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -41.287
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -23.893
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -190.781268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.781268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.781268 (E_RNA)
where:
Base-Base interactions energy: -72.038
where: short stacking energy: -49.811
Base-Backbone interact. energy: -0.560
local terms energy: -118.182570
where:
bonds (distance) C4'-P energy: -34.788
bonds (distance) P-C4' energy: -34.208
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -181.360387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.360387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.360387 (E_RNA)
where:
Base-Base interactions energy: -69.506
where: short stacking energy: -69.548
Base-Backbone interact. energy: -0.505
local terms energy: -111.350056
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -34.911
flat angles C4'-P-C4' energy: -33.893
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -171.585500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.585500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.585500 (E_RNA)
where:
Base-Base interactions energy: -59.063
where: short stacking energy: -35.970
Base-Backbone interact. energy: -1.427
local terms energy: -111.096108
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -36.367
flat angles C4'-P-C4' energy: -23.852
flat angles P-C4'-P energy: -26.083
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: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -615.848839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.848839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.848839 (E_RNA)
where:
Base-Base interactions energy: -413.641
where: short stacking energy: -180.560
Base-Backbone interact. energy: -2.302
local terms energy: -199.905384
where:
bonds (distance) C4'-P energy: -42.205
bonds (distance) P-C4' energy: -40.794
flat angles C4'-P-C4' energy: -48.641
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -45.971
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: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -571.694168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.694168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.694168 (E_RNA)
where:
Base-Base interactions energy: -358.962
where: short stacking energy: -181.976
Base-Backbone interact. energy: 0.406
local terms energy: -213.138425
where:
bonds (distance) C4'-P energy: -43.286
bonds (distance) P-C4' energy: -36.631
flat angles C4'-P-C4' energy: -46.689
flat angles P-C4'-P energy: -32.893
tors. eta vs tors. theta energy: -53.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -532.939565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.939565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.939565 (E_RNA)
where:
Base-Base interactions energy: -339.351
where: short stacking energy: -155.913
Base-Backbone interact. energy: -0.334
local terms energy: -193.254492
where:
bonds (distance) C4'-P energy: -38.901
bonds (distance) P-C4' energy: -41.707
flat angles C4'-P-C4' energy: -40.949
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -46.200
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: 22
Temperature: 1.050000
Total energy: -529.682810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.682810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.682810 (E_RNA)
where:
Base-Base interactions energy: -342.492
where: short stacking energy: -135.179
Base-Backbone interact. energy: -0.795
local terms energy: -186.395573
where:
bonds (distance) C4'-P energy: -43.824
bonds (distance) P-C4' energy: -38.016
flat angles C4'-P-C4' energy: -37.023
flat angles P-C4'-P energy: -28.934
tors. eta vs tors. theta energy: -38.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -395.105770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.105770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.105770 (E_RNA)
where:
Base-Base interactions energy: -229.364
where: short stacking energy: -119.637
Base-Backbone interact. energy: -0.837
local terms energy: -164.904935
where:
bonds (distance) C4'-P energy: -40.319
bonds (distance) P-C4' energy: -37.265
flat angles C4'-P-C4' energy: -36.398
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: -28.462
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: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -340.450644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.450644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.450644 (E_RNA)
where:
Base-Base interactions energy: -193.695
where: short stacking energy: -95.536
Base-Backbone interact. energy: -0.219
local terms energy: -146.536426
where:
bonds (distance) C4'-P energy: -39.386
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -286.480156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.480156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.480156 (E_RNA)
where:
Base-Base interactions energy: -149.357
where: short stacking energy: -78.292
Base-Backbone interact. energy: -0.054
local terms energy: -137.069344
where:
bonds (distance) C4'-P energy: -41.771
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -31.933
flat angles P-C4'-P energy: -21.264
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: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -191.256086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.256086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.256086 (E_RNA)
where:
Base-Base interactions energy: -75.725
where: short stacking energy: -54.575
Base-Backbone interact. energy: 1.436
local terms energy: -116.966773
where:
bonds (distance) C4'-P energy: -39.702
bonds (distance) P-C4' energy: -34.461
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -14.328
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: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -183.146171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.146171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.146171 (E_RNA)
where:
Base-Base interactions energy: -49.907
where: short stacking energy: -42.815
Base-Backbone interact. energy: -1.426
local terms energy: -131.813074
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -41.743
flat angles C4'-P-C4' energy: -36.695
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -182.235823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.235823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.235823 (E_RNA)
where:
Base-Base interactions energy: -61.513
where: short stacking energy: -51.081
Base-Backbone interact. energy: 6.041
local terms energy: -126.763677
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -38.503
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: 1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -624.927702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.927702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.927702 (E_RNA)
where:
Base-Base interactions energy: -424.331
where: short stacking energy: -179.953
Base-Backbone interact. energy: -3.621
local terms energy: -196.975165
where:
bonds (distance) C4'-P energy: -38.971
bonds (distance) P-C4' energy: -37.960
flat angles C4'-P-C4' energy: -44.888
flat angles P-C4'-P energy: -24.384
tors. eta vs tors. theta energy: -50.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -582.962614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.962614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.962614 (E_RNA)
where:
Base-Base interactions energy: -383.811
where: short stacking energy: -185.841
Base-Backbone interact. energy: -0.233
local terms energy: -198.919261
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -39.454
flat angles C4'-P-C4' energy: -42.201
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -54.938
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: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -520.855488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.855488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.855488 (E_RNA)
where:
Base-Base interactions energy: -337.327
where: short stacking energy: -143.754
Base-Backbone interact. energy: -0.559
local terms energy: -182.970015
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -39.776
flat angles C4'-P-C4' energy: -37.819
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: -43.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -510.847858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.847858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.847858 (E_RNA)
where:
Base-Base interactions energy: -331.082
where: short stacking energy: -136.738
Base-Backbone interact. energy: -2.344
local terms energy: -177.421696
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -43.473
flat angles C4'-P-C4' energy: -39.115
flat angles P-C4'-P energy: -28.392
tors. eta vs tors. theta energy: -35.142
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: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -415.709527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.709527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.709527 (E_RNA)
where:
Base-Base interactions energy: -240.171
where: short stacking energy: -113.737
Base-Backbone interact. energy: -1.550
local terms energy: -173.988159
where:
bonds (distance) C4'-P energy: -43.449
bonds (distance) P-C4' energy: -44.935
flat angles C4'-P-C4' energy: -34.945
flat angles P-C4'-P energy: -28.820
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -379.071485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.071485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.071485 (E_RNA)
where:
Base-Base interactions energy: -232.641
where: short stacking energy: -118.096
Base-Backbone interact. energy: -0.843
local terms energy: -145.587696
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -35.800
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -16.900
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: 23
Temperature: 1.200000
Total energy: -292.655891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.655891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.655891 (E_RNA)
where:
Base-Base interactions energy: -155.762
where: short stacking energy: -88.966
Base-Backbone interact. energy: 1.773
local terms energy: -138.667085
where:
bonds (distance) C4'-P energy: -35.026
bonds (distance) P-C4' energy: -36.301
flat angles C4'-P-C4' energy: -37.214
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -190.587700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.587700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.587700 (E_RNA)
where:
Base-Base interactions energy: -60.161
where: short stacking energy: -57.094
Base-Backbone interact. energy: 0.078
local terms energy: -130.505344
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -35.704
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -188.417765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.417765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.417765 (E_RNA)
where:
Base-Base interactions energy: -90.435
where: short stacking energy: -69.032
Base-Backbone interact. energy: 3.493
local terms energy: -101.476230
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -35.523
flat angles C4'-P-C4' energy: -32.035
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: 3.808
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: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -183.284362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.284362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.284362 (E_RNA)
where:
Base-Base interactions energy: -64.138
where: short stacking energy: -45.630
Base-Backbone interact. energy: -0.459
local terms energy: -118.686620
where:
bonds (distance) C4'-P energy: -36.061
bonds (distance) P-C4' energy: -43.945
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -12.838
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: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -622.902448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.902448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.902448 (E_RNA)
where:
Base-Base interactions energy: -426.710
where: short stacking energy: -162.908
Base-Backbone interact. energy: -2.498
local terms energy: -193.694467
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -39.463
flat angles C4'-P-C4' energy: -43.689
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -47.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -560.931996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.931996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.931996 (E_RNA)
where:
Base-Base interactions energy: -358.398
where: short stacking energy: -170.024
Base-Backbone interact. energy: 0.561
local terms energy: -203.094762
where:
bonds (distance) C4'-P energy: -36.830
bonds (distance) P-C4' energy: -44.790
flat angles C4'-P-C4' energy: -39.744
flat angles P-C4'-P energy: -25.807
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: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -584.053234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.053234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.053234 (E_RNA)
where:
Base-Base interactions energy: -395.442
where: short stacking energy: -168.143
Base-Backbone interact. energy: -0.804
local terms energy: -187.807307
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -37.970
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -35.645
tors. eta vs tors. theta energy: -43.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -491.400430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.400430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.400430 (E_RNA)
where:
Base-Base interactions energy: -328.882
where: short stacking energy: -131.832
Base-Backbone interact. energy: -1.733
local terms energy: -160.785929
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -43.271
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -31.799
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: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -389.052310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.052310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.052310 (E_RNA)
where:
Base-Base interactions energy: -220.650
where: short stacking energy: -109.619
Base-Backbone interact. energy: -2.200
local terms energy: -166.202396
where:
bonds (distance) C4'-P energy: -38.590
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -40.445
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -25.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -373.065017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.065017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.065017 (E_RNA)
where:
Base-Base interactions energy: -230.486
where: short stacking energy: -105.351
Base-Backbone interact. energy: 0.066
local terms energy: -142.645672
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -35.446
flat angles C4'-P-C4' energy: -34.726
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -21.299
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: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -274.448471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.448471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.448471 (E_RNA)
where:
Base-Base interactions energy: -134.584
where: short stacking energy: -65.885
Base-Backbone interact. energy: 2.568
local terms energy: -142.432704
where:
bonds (distance) C4'-P energy: -37.836
bonds (distance) P-C4' energy: -47.397
flat angles C4'-P-C4' energy: -39.292
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -195.539181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.539181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.539181 (E_RNA)
where:
Base-Base interactions energy: -74.512
where: short stacking energy: -59.499
Base-Backbone interact. energy: 1.232
local terms energy: -122.258576
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -36.098
flat angles C4'-P-C4' energy: -25.116
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -223.960430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.960430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.960430 (E_RNA)
where:
Base-Base interactions energy: -82.213
where: short stacking energy: -71.781
Base-Backbone interact. energy: -1.474
local terms energy: -140.274317
where:
bonds (distance) C4'-P energy: -39.750
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -20.026
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -179.331476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.331476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.331476 (E_RNA)
where:
Base-Base interactions energy: -71.370
where: short stacking energy: -48.076
Base-Backbone interact. energy: 0.114
local terms energy: -108.075004
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -33.471
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: 8.931
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: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -615.156892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.156892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.156892 (E_RNA)
where:
Base-Base interactions energy: -414.359
where: short stacking energy: -169.424
Base-Backbone interact. energy: -1.417
local terms energy: -199.380448
where:
bonds (distance) C4'-P energy: -43.909
bonds (distance) P-C4' energy: -43.166
flat angles C4'-P-C4' energy: -37.605
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -49.148
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: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -585.003933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.003933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.003933 (E_RNA)
where:
Base-Base interactions energy: -399.466
where: short stacking energy: -176.617
Base-Backbone interact. energy: -0.197
local terms energy: -185.340950
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -42.007
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -46.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -556.190047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.190047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.190047 (E_RNA)
where:
Base-Base interactions energy: -353.218
where: short stacking energy: -176.934
Base-Backbone interact. energy: -0.310
local terms energy: -202.662329
where:
bonds (distance) C4'-P energy: -41.243
bonds (distance) P-C4' energy: -37.887
flat angles C4'-P-C4' energy: -44.076
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: -50.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -509.061286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.061286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.061286 (E_RNA)
where:
Base-Base interactions energy: -330.153
where: short stacking energy: -145.246
Base-Backbone interact. energy: -0.452
local terms energy: -178.456685
where:
bonds (distance) C4'-P energy: -40.581
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -40.802
flat angles P-C4'-P energy: -25.956
tors. eta vs tors. theta energy: -42.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -378.339658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.339658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.339658 (E_RNA)
where:
Base-Base interactions energy: -222.669
where: short stacking energy: -119.051
Base-Backbone interact. energy: -0.503
local terms energy: -155.167669
where:
bonds (distance) C4'-P energy: -33.152
bonds (distance) P-C4' energy: -33.747
flat angles C4'-P-C4' energy: -35.986
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -30.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -398.465652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.465652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.465652 (E_RNA)
where:
Base-Base interactions energy: -233.200
where: short stacking energy: -98.700
Base-Backbone interact. energy: 0.429
local terms energy: -165.695124
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -41.512
flat angles P-C4'-P energy: -31.379
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -283.351752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.351752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.351752 (E_RNA)
where:
Base-Base interactions energy: -148.094
where: short stacking energy: -72.029
Base-Backbone interact. energy: -0.527
local terms energy: -134.731663
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -39.665
flat angles C4'-P-C4' energy: -44.122
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -193.736618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.736618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.736618 (E_RNA)
where:
Base-Base interactions energy: -75.024
where: short stacking energy: -54.009
Base-Backbone interact. energy: 1.358
local terms energy: -120.070759
where:
bonds (distance) C4'-P energy: -39.413
bonds (distance) P-C4' energy: -33.538
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: 1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -183.579728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.579728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.579728 (E_RNA)
where:
Base-Base interactions energy: -54.322
where: short stacking energy: -48.372
Base-Backbone interact. energy: -0.796
local terms energy: -128.461462
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -37.927
flat angles P-C4'-P energy: -19.102
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: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -171.345221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.345221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.345221 (E_RNA)
where:
Base-Base interactions energy: -53.939
where: short stacking energy: -30.868
Base-Backbone interact. energy: 2.301
local terms energy: -119.707110
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: 2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -589.632453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.632453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.632453 (E_RNA)
where:
Base-Base interactions energy: -399.302
where: short stacking energy: -170.839
Base-Backbone interact. energy: 1.623
local terms energy: -191.953262
where:
bonds (distance) C4'-P energy: -37.574
bonds (distance) P-C4' energy: -39.988
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -44.438
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: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -603.064221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.064221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.064221 (E_RNA)
where:
Base-Base interactions energy: -404.207
where: short stacking energy: -167.057
Base-Backbone interact. energy: -1.126
local terms energy: -197.731003
where:
bonds (distance) C4'-P energy: -34.440
bonds (distance) P-C4' energy: -44.102
flat angles C4'-P-C4' energy: -44.098
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -45.561
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: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -564.025489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.025489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.025489 (E_RNA)
where:
Base-Base interactions energy: -355.509
where: short stacking energy: -183.475
Base-Backbone interact. energy: -0.256
local terms energy: -208.260222
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -45.991
flat angles C4'-P-C4' energy: -46.941
flat angles P-C4'-P energy: -25.763
tors. eta vs tors. theta energy: -57.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -524.291420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.291420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.291420 (E_RNA)
where:
Base-Base interactions energy: -337.378
where: short stacking energy: -152.615
Base-Backbone interact. energy: 2.615
local terms energy: -189.528383
where:
bonds (distance) C4'-P energy: -42.130
bonds (distance) P-C4' energy: -42.119
flat angles C4'-P-C4' energy: -39.683
flat angles P-C4'-P energy: -27.368
tors. eta vs tors. theta energy: -38.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -421.192381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.192381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.192381 (E_RNA)
where:
Base-Base interactions energy: -263.903
where: short stacking energy: -119.803
Base-Backbone interact. energy: 0.770
local terms energy: -158.059805
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -37.846
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -32.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -364.624491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.624491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.624491 (E_RNA)
where:
Base-Base interactions energy: -208.166
where: short stacking energy: -104.769
Base-Backbone interact. energy: -0.917
local terms energy: -155.541708
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -35.520
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -28.909
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -258.922467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.922467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.922467 (E_RNA)
where:
Base-Base interactions energy: -126.378
where: short stacking energy: -78.469
Base-Backbone interact. energy: -1.650
local terms energy: -130.894750
where:
bonds (distance) C4'-P energy: -31.230
bonds (distance) P-C4' energy: -39.341
flat angles C4'-P-C4' energy: -30.814
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -179.626405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.626405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.626405 (E_RNA)
where:
Base-Base interactions energy: -62.022
where: short stacking energy: -60.351
Base-Backbone interact. energy: 0.447
local terms energy: -118.051778
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -33.301
flat angles C4'-P-C4' energy: -31.754
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -193.939136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.939136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.939136 (E_RNA)
where:
Base-Base interactions energy: -80.046
where: short stacking energy: -63.849
Base-Backbone interact. energy: 0.199
local terms energy: -114.091512
where:
bonds (distance) C4'-P energy: -31.424
bonds (distance) P-C4' energy: -38.415
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -189.212554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.212554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.212554 (E_RNA)
where:
Base-Base interactions energy: -78.349
where: short stacking energy: -45.581
Base-Backbone interact. energy: 1.999
local terms energy: -112.862968
where:
bonds (distance) C4'-P energy: -35.584
bonds (distance) P-C4' energy: -41.610
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: 6.974
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: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -593.413042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.413042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.413042 (E_RNA)
where:
Base-Base interactions energy: -397.038
where: short stacking energy: -167.072
Base-Backbone interact. energy: 2.097
local terms energy: -198.472720
where:
bonds (distance) C4'-P energy: -40.279
bonds (distance) P-C4' energy: -41.617
flat angles C4'-P-C4' energy: -42.848
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -48.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -607.084754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.084754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.084754 (E_RNA)
where:
Base-Base interactions energy: -414.845
where: short stacking energy: -168.711
Base-Backbone interact. energy: -1.039
local terms energy: -191.200576
where:
bonds (distance) C4'-P energy: -42.805
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -42.883
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -47.911
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: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -537.807643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.807643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.807643 (E_RNA)
where:
Base-Base interactions energy: -325.309
where: short stacking energy: -160.433
Base-Backbone interact. energy: -2.096
local terms energy: -210.402977
where:
bonds (distance) C4'-P energy: -38.732
bonds (distance) P-C4' energy: -41.735
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -31.386
tors. eta vs tors. theta energy: -54.835
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: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -524.422303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.422303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.422303 (E_RNA)
where:
Base-Base interactions energy: -343.396
where: short stacking energy: -155.886
Base-Backbone interact. energy: -0.594
local terms energy: -180.432851
where:
bonds (distance) C4'-P energy: -37.769
bonds (distance) P-C4' energy: -36.951
flat angles C4'-P-C4' energy: -36.770
flat angles P-C4'-P energy: -30.821
tors. eta vs tors. theta energy: -38.122
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: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -440.604612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.604612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.604612 (E_RNA)
where:
Base-Base interactions energy: -281.915
where: short stacking energy: -139.180
Base-Backbone interact. energy: 0.255
local terms energy: -158.944244
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -37.482
flat angles C4'-P-C4' energy: -34.531
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -28.465
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: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -368.826821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.826821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.826821 (E_RNA)
where:
Base-Base interactions energy: -203.784
where: short stacking energy: -104.815
Base-Backbone interact. energy: 3.724
local terms energy: -168.766709
where:
bonds (distance) C4'-P energy: -39.819
bonds (distance) P-C4' energy: -39.046
flat angles C4'-P-C4' energy: -41.389
flat angles P-C4'-P energy: -29.839
tors. eta vs tors. theta energy: -18.674
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: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -277.473712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.473712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.473712 (E_RNA)
where:
Base-Base interactions energy: -137.155
where: short stacking energy: -57.039
Base-Backbone interact. energy: -1.497
local terms energy: -138.821171
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -39.274
flat angles C4'-P-C4' energy: -35.411
flat angles P-C4'-P energy: -27.048
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: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -201.546329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.546329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.546329 (E_RNA)
where:
Base-Base interactions energy: -90.913
where: short stacking energy: -61.264
Base-Backbone interact. energy: 5.692
local terms energy: -116.325140
where:
bonds (distance) C4'-P energy: -30.830
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -19.243
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -191.043313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.043313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.043313 (E_RNA)
where:
Base-Base interactions energy: -81.204
where: short stacking energy: -60.764
Base-Backbone interact. energy: -0.072
local terms energy: -109.767251
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -31.358
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: 1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -169.784798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.784798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.784798 (E_RNA)
where:
Base-Base interactions energy: -56.025
where: short stacking energy: -42.119
Base-Backbone interact. energy: -0.138
local terms energy: -113.622104
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -37.675
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -0.772
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: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -600.245911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.245911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.245911 (E_RNA)
where:
Base-Base interactions energy: -407.902
where: short stacking energy: -172.302
Base-Backbone interact. energy: -0.243
local terms energy: -192.100789
where:
bonds (distance) C4'-P energy: -44.478
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -37.344
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -46.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -594.357014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.357014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.357014 (E_RNA)
where:
Base-Base interactions energy: -397.156
where: short stacking energy: -179.735
Base-Backbone interact. energy: -0.505
local terms energy: -196.695194
where:
bonds (distance) C4'-P energy: -37.257
bonds (distance) P-C4' energy: -34.455
flat angles C4'-P-C4' energy: -47.932
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -56.369
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: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -518.106472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.106472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.106472 (E_RNA)
where:
Base-Base interactions energy: -341.989
where: short stacking energy: -143.774
Base-Backbone interact. energy: -1.341
local terms energy: -174.776513
where:
bonds (distance) C4'-P energy: -37.244
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -20.436
tors. eta vs tors. theta energy: -38.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -531.879830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.879830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.879830 (E_RNA)
where:
Base-Base interactions energy: -329.512
where: short stacking energy: -175.950
Base-Backbone interact. energy: -1.221
local terms energy: -201.147114
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -38.887
flat angles C4'-P-C4' energy: -40.827
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: -58.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -453.937689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.937689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.937689 (E_RNA)
where:
Base-Base interactions energy: -280.216
where: short stacking energy: -128.972
Base-Backbone interact. energy: -1.481
local terms energy: -172.240058
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -38.650
flat angles C4'-P-C4' energy: -38.196
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -34.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -360.853263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.853263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.853263 (E_RNA)
where:
Base-Base interactions energy: -191.819
where: short stacking energy: -93.579
Base-Backbone interact. energy: -0.583
local terms energy: -168.451720
where:
bonds (distance) C4'-P energy: -40.381
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -294.450176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.450176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.450176 (E_RNA)
where:
Base-Base interactions energy: -163.927
where: short stacking energy: -76.663
Base-Backbone interact. energy: -2.422
local terms energy: -128.101120
where:
bonds (distance) C4'-P energy: -26.291
bonds (distance) P-C4' energy: -46.627
flat angles C4'-P-C4' energy: -31.828
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -201.387734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.387734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.387734 (E_RNA)
where:
Base-Base interactions energy: -76.334
where: short stacking energy: -54.829
Base-Backbone interact. energy: -0.333
local terms energy: -124.721214
where:
bonds (distance) C4'-P energy: -39.403
bonds (distance) P-C4' energy: -34.948
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -0.008
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: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -188.079855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.079855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.079855 (E_RNA)
where:
Base-Base interactions energy: -58.065
where: short stacking energy: -44.935
Base-Backbone interact. energy: -0.471
local terms energy: -129.544697
where:
bonds (distance) C4'-P energy: -35.721
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: 0.875
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: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -175.519306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.519306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.519306 (E_RNA)
where:
Base-Base interactions energy: -53.776
where: short stacking energy: -45.042
Base-Backbone interact. energy: -1.377
local terms energy: -120.366407
where:
bonds (distance) C4'-P energy: -31.701
bonds (distance) P-C4' energy: -31.589
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -3.312
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: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -613.779859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.779859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.779859 (E_RNA)
where:
Base-Base interactions energy: -420.955
where: short stacking energy: -180.830
Base-Backbone interact. energy: 1.827
local terms energy: -194.652553
where:
bonds (distance) C4'-P energy: -40.163
bonds (distance) P-C4' energy: -39.135
flat angles C4'-P-C4' energy: -43.292
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -42.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -594.697260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.697260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.697260 (E_RNA)
where:
Base-Base interactions energy: -395.495
where: short stacking energy: -179.984
Base-Backbone interact. energy: -0.147
local terms energy: -199.055020
where:
bonds (distance) C4'-P energy: -35.901
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -43.258
flat angles P-C4'-P energy: -26.019
tors. eta vs tors. theta energy: -52.294
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: 29
Temperature: 1.000000
Total energy: -527.235687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.235687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.235687 (E_RNA)
where:
Base-Base interactions energy: -342.644
where: short stacking energy: -158.284
Base-Backbone interact. energy: -0.307
local terms energy: -184.284577
where:
bonds (distance) C4'-P energy: -41.030
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -41.929
flat angles P-C4'-P energy: -29.190
tors. eta vs tors. theta energy: -39.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -499.825920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.825920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.825920 (E_RNA)
where:
Base-Base interactions energy: -318.267
where: short stacking energy: -152.342
Base-Backbone interact. energy: -0.115
local terms energy: -181.443523
where:
bonds (distance) C4'-P energy: -36.875
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -24.337
tors. eta vs tors. theta energy: -49.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -462.837568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.837568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.837568 (E_RNA)
where:
Base-Base interactions energy: -293.045
where: short stacking energy: -141.454
Base-Backbone interact. energy: -0.595
local terms energy: -169.197826
where:
bonds (distance) C4'-P energy: -36.943
bonds (distance) P-C4' energy: -36.942
flat angles C4'-P-C4' energy: -39.108
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -34.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -262.770704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.770704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.770704 (E_RNA)
where:
Base-Base interactions energy: -116.306
where: short stacking energy: -80.797
Base-Backbone interact. energy: 1.264
local terms energy: -147.728725
where:
bonds (distance) C4'-P energy: -31.908
bonds (distance) P-C4' energy: -42.591
flat angles C4'-P-C4' energy: -32.078
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -294.537908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.537908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.537908 (E_RNA)
where:
Base-Base interactions energy: -151.645
where: short stacking energy: -83.384
Base-Backbone interact. energy: -0.526
local terms energy: -142.367616
where:
bonds (distance) C4'-P energy: -40.433
bonds (distance) P-C4' energy: -35.675
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -18.328
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -185.368514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.368514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.368514 (E_RNA)
where:
Base-Base interactions energy: -71.957
where: short stacking energy: -53.102
Base-Backbone interact. energy: -2.157
local terms energy: -111.254294
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -40.832
flat angles C4'-P-C4' energy: -30.318
flat angles P-C4'-P energy: -19.782
tors. eta vs tors. theta energy: 5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -172.759993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.759993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.759993 (E_RNA)
where:
Base-Base interactions energy: -60.165
where: short stacking energy: -43.258
Base-Backbone interact. energy: -0.086
local terms energy: -112.509189
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: 7.820
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: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -163.551354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.551354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.551354 (E_RNA)
where:
Base-Base interactions energy: -61.787
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.654
local terms energy: -101.110803
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -31.574
flat angles C4'-P-C4' energy: -29.591
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: 5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -638.667859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.667859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.667859 (E_RNA)
where:
Base-Base interactions energy: -436.764
where: short stacking energy: -175.468
Base-Backbone interact. energy: -0.850
local terms energy: -201.054205
where:
bonds (distance) C4'-P energy: -39.177
bonds (distance) P-C4' energy: -45.534
flat angles C4'-P-C4' energy: -44.466
flat angles P-C4'-P energy: -26.464
tors. eta vs tors. theta energy: -45.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -587.709071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.709071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.709071 (E_RNA)
where:
Base-Base interactions energy: -379.067
where: short stacking energy: -186.225
Base-Backbone interact. energy: -0.511
local terms energy: -208.131779
where:
bonds (distance) C4'-P energy: -44.730
bonds (distance) P-C4' energy: -40.710
flat angles C4'-P-C4' energy: -38.674
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -56.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -547.570444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.570444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.570444 (E_RNA)
where:
Base-Base interactions energy: -355.385
where: short stacking energy: -161.637
Base-Backbone interact. energy: -1.647
local terms energy: -190.538551
where:
bonds (distance) C4'-P energy: -34.731
bonds (distance) P-C4' energy: -38.285
flat angles C4'-P-C4' energy: -38.311
flat angles P-C4'-P energy: -29.249
tors. eta vs tors. theta energy: -49.963
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: 30
Temperature: 1.050000
Total energy: -517.355678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.355678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.355678 (E_RNA)
where:
Base-Base interactions energy: -328.674
where: short stacking energy: -143.106
Base-Backbone interact. energy: 0.159
local terms energy: -188.840580
where:
bonds (distance) C4'-P energy: -38.535
bonds (distance) P-C4' energy: -46.550
flat angles C4'-P-C4' energy: -39.885
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: -38.561
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: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -479.217171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.217171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.217171 (E_RNA)
where:
Base-Base interactions energy: -307.311
where: short stacking energy: -139.508
Base-Backbone interact. energy: -0.604
local terms energy: -171.301317
where:
bonds (distance) C4'-P energy: -34.600
bonds (distance) P-C4' energy: -36.585
flat angles C4'-P-C4' energy: -30.778
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: -44.531
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: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -279.164120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.164120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.164120 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -82.782
Base-Backbone interact. energy: 1.949
local terms energy: -138.366178
where:
bonds (distance) C4'-P energy: -36.174
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -26.386
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: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -326.447533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.447533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.447533 (E_RNA)
where:
Base-Base interactions energy: -159.331
where: short stacking energy: -84.531
Base-Backbone interact. energy: -0.803
local terms energy: -166.313118
where:
bonds (distance) C4'-P energy: -39.842
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -30.513
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -178.501927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.501927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.501927 (E_RNA)
where:
Base-Base interactions energy: -53.860
where: short stacking energy: -50.017
Base-Backbone interact. energy: -0.578
local terms energy: -124.064150
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -42.795
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -195.412629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.412629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.412629 (E_RNA)
where:
Base-Base interactions energy: -74.497
where: short stacking energy: -66.648
Base-Backbone interact. energy: -0.804
local terms energy: -120.111191
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -38.539
flat angles C4'-P-C4' energy: -35.870
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: 0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -179.293592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.293592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.293592 (E_RNA)
where:
Base-Base interactions energy: -63.282
where: short stacking energy: -60.978
Base-Backbone interact. energy: 1.009
local terms energy: -117.020920
where:
bonds (distance) C4'-P energy: -37.286
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -628.821568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.821568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.821568 (E_RNA)
where:
Base-Base interactions energy: -430.761
where: short stacking energy: -161.766
Base-Backbone interact. energy: 1.027
local terms energy: -199.087730
where:
bonds (distance) C4'-P energy: -41.554
bonds (distance) P-C4' energy: -42.241
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -27.291
tors. eta vs tors. theta energy: -41.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -617.242286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.242286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.242286 (E_RNA)
where:
Base-Base interactions energy: -402.424
where: short stacking energy: -195.723
Base-Backbone interact. energy: -1.157
local terms energy: -213.661482
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -42.789
flat angles C4'-P-C4' energy: -39.446
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -65.538
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: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -557.281699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.281699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.281699 (E_RNA)
where:
Base-Base interactions energy: -359.026
where: short stacking energy: -152.257
Base-Backbone interact. energy: 0.042
local terms energy: -198.297860
where:
bonds (distance) C4'-P energy: -39.399
bonds (distance) P-C4' energy: -38.502
flat angles C4'-P-C4' energy: -40.142
flat angles P-C4'-P energy: -34.108
tors. eta vs tors. theta energy: -46.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -502.423861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.423861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.423861 (E_RNA)
where:
Base-Base interactions energy: -324.386
where: short stacking energy: -149.340
Base-Backbone interact. energy: -2.129
local terms energy: -175.909553
where:
bonds (distance) C4'-P energy: -34.250
bonds (distance) P-C4' energy: -33.196
flat angles C4'-P-C4' energy: -42.919
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -38.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -491.338632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.338632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.338632 (E_RNA)
where:
Base-Base interactions energy: -325.137
where: short stacking energy: -138.615
Base-Backbone interact. energy: -1.520
local terms energy: -164.682482
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -29.563
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -32.893
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: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -325.241742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.241742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.241742 (E_RNA)
where:
Base-Base interactions energy: -192.004
where: short stacking energy: -124.580
Base-Backbone interact. energy: -0.932
local terms energy: -132.305325
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -28.261
flat angles C4'-P-C4' energy: -37.147
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -29.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -275.526969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.526969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.526969 (E_RNA)
where:
Base-Base interactions energy: -146.034
where: short stacking energy: -88.174
Base-Backbone interact. energy: -1.279
local terms energy: -128.213766
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -38.435
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -22.588
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: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -211.391640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.391640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.391640 (E_RNA)
where:
Base-Base interactions energy: -89.517
where: short stacking energy: -40.205
Base-Backbone interact. energy: -1.487
local terms energy: -120.387860
where:
bonds (distance) C4'-P energy: -45.279
bonds (distance) P-C4' energy: -38.045
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: 9.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -190.926645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.926645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.926645 (E_RNA)
where:
Base-Base interactions energy: -77.306
where: short stacking energy: -65.495
Base-Backbone interact. energy: -0.527
local terms energy: -113.094029
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -5.837
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: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -177.956052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.956052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.956052 (E_RNA)
where:
Base-Base interactions energy: -55.841
where: short stacking energy: -52.942
Base-Backbone interact. energy: -0.217
local terms energy: -121.898072
where:
bonds (distance) C4'-P energy: -32.232
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -36.260
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -631.424513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.424513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.424513 (E_RNA)
where:
Base-Base interactions energy: -444.256
where: short stacking energy: -171.232
Base-Backbone interact. energy: -0.980
local terms energy: -186.188806
where:
bonds (distance) C4'-P energy: -42.957
bonds (distance) P-C4' energy: -34.209
flat angles C4'-P-C4' energy: -40.981
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -41.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -605.357080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.357080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.357080 (E_RNA)
where:
Base-Base interactions energy: -395.548
where: short stacking energy: -182.797
Base-Backbone interact. energy: -0.003
local terms energy: -209.805487
where:
bonds (distance) C4'-P energy: -34.761
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -47.042
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -60.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -547.961962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.961962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.961962 (E_RNA)
where:
Base-Base interactions energy: -364.129
where: short stacking energy: -158.361
Base-Backbone interact. energy: -0.543
local terms energy: -183.290087
where:
bonds (distance) C4'-P energy: -40.158
bonds (distance) P-C4' energy: -29.109
flat angles C4'-P-C4' energy: -40.436
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -39.711
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: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -493.565046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.565046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.565046 (E_RNA)
where:
Base-Base interactions energy: -319.356
where: short stacking energy: -141.451
Base-Backbone interact. energy: -1.192
local terms energy: -173.017307
where:
bonds (distance) C4'-P energy: -37.946
bonds (distance) P-C4' energy: -39.335
flat angles C4'-P-C4' energy: -45.954
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -33.291
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: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -518.959152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.959152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.959152 (E_RNA)
where:
Base-Base interactions energy: -351.166
where: short stacking energy: -144.289
Base-Backbone interact. energy: 0.368
local terms energy: -168.160952
where:
bonds (distance) C4'-P energy: -28.583
bonds (distance) P-C4' energy: -30.846
flat angles C4'-P-C4' energy: -45.760
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -38.847
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: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -322.009036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.009036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.009036 (E_RNA)
where:
Base-Base interactions energy: -171.198
where: short stacking energy: -105.793
Base-Backbone interact. energy: -0.029
local terms energy: -150.782586
where:
bonds (distance) C4'-P energy: -35.156
bonds (distance) P-C4' energy: -36.026
flat angles C4'-P-C4' energy: -34.784
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -24.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -291.720922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.720922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.720922 (E_RNA)
where:
Base-Base interactions energy: -148.617
where: short stacking energy: -91.610
Base-Backbone interact. energy: -0.503
local terms energy: -142.600872
where:
bonds (distance) C4'-P energy: -31.933
bonds (distance) P-C4' energy: -38.915
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -28.608
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -217.182774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.182774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.182774 (E_RNA)
where:
Base-Base interactions energy: -96.489
where: short stacking energy: -68.469
Base-Backbone interact. energy: 1.071
local terms energy: -121.764686
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -38.276
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: 0.111
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: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -210.427559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.427559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.427559 (E_RNA)
where:
Base-Base interactions energy: -86.695
where: short stacking energy: -71.792
Base-Backbone interact. energy: -1.814
local terms energy: -121.918417
where:
bonds (distance) C4'-P energy: -31.791
bonds (distance) P-C4' energy: -32.106
flat angles C4'-P-C4' energy: -35.021
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -176.672849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.672849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.672849 (E_RNA)
where:
Base-Base interactions energy: -71.784
where: short stacking energy: -43.670
Base-Backbone interact. energy: 3.049
local terms energy: -107.938010
where:
bonds (distance) C4'-P energy: -26.438
bonds (distance) P-C4' energy: -39.187
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: 1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -633.055738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.055738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.055738 (E_RNA)
where:
Base-Base interactions energy: -434.271
where: short stacking energy: -175.764
Base-Backbone interact. energy: -2.218
local terms energy: -196.566030
where:
bonds (distance) C4'-P energy: -42.268
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -44.327
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -48.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -603.468944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.468944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.468944 (E_RNA)
where:
Base-Base interactions energy: -391.606
where: short stacking energy: -184.097
Base-Backbone interact. energy: -0.413
local terms energy: -211.449442
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -43.985
flat angles C4'-P-C4' energy: -42.710
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -58.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -553.018156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.018156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.018156 (E_RNA)
where:
Base-Base interactions energy: -361.186
where: short stacking energy: -160.953
Base-Backbone interact. energy: 0.901
local terms energy: -192.733583
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -41.867
flat angles C4'-P-C4' energy: -44.692
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: -44.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -517.183909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.183909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.183909 (E_RNA)
where:
Base-Base interactions energy: -349.091
where: short stacking energy: -141.713
Base-Backbone interact. energy: -0.088
local terms energy: -168.005738
where:
bonds (distance) C4'-P energy: -31.696
bonds (distance) P-C4' energy: -30.987
flat angles C4'-P-C4' energy: -41.753
flat angles P-C4'-P energy: -30.216
tors. eta vs tors. theta energy: -33.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -464.553750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.553750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.553750 (E_RNA)
where:
Base-Base interactions energy: -295.381
where: short stacking energy: -139.678
Base-Backbone interact. energy: -0.748
local terms energy: -168.424707
where:
bonds (distance) C4'-P energy: -30.009
bonds (distance) P-C4' energy: -36.431
flat angles C4'-P-C4' energy: -37.665
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -38.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -318.733877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.733877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.733877 (E_RNA)
where:
Base-Base interactions energy: -171.343
where: short stacking energy: -103.552
Base-Backbone interact. energy: -0.566
local terms energy: -146.824800
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -33.725
flat angles P-C4'-P energy: -26.566
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: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -278.957338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.957338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.957338 (E_RNA)
where:
Base-Base interactions energy: -151.917
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.751
local terms energy: -126.289840
where:
bonds (distance) C4'-P energy: -36.396
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: 2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -198.885162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.885162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.885162 (E_RNA)
where:
Base-Base interactions energy: -68.537
where: short stacking energy: -66.918
Base-Backbone interact. energy: 0.724
local terms energy: -131.072293
where:
bonds (distance) C4'-P energy: -36.407
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -25.801
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -240.479390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.479390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.479390 (E_RNA)
where:
Base-Base interactions energy: -119.747
where: short stacking energy: -70.519
Base-Backbone interact. energy: -0.134
local terms energy: -120.598941
where:
bonds (distance) C4'-P energy: -33.092
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -22.520
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -6.044
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: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -179.455578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.455578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.455578 (E_RNA)
where:
Base-Base interactions energy: -67.136
where: short stacking energy: -58.556
Base-Backbone interact. energy: 1.112
local terms energy: -113.431544
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -33.046
flat angles C4'-P-C4' energy: -26.166
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -2.176
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: 34
Temperature: 0.900000
Total energy: -607.888816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.888816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.888816 (E_RNA)
where:
Base-Base interactions energy: -398.494
where: short stacking energy: -181.269
Base-Backbone interact. energy: -0.194
local terms energy: -209.200868
where:
bonds (distance) C4'-P energy: -38.940
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -40.028
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -55.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -621.909888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.909888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.909888 (E_RNA)
where:
Base-Base interactions energy: -421.597
where: short stacking energy: -166.916
Base-Backbone interact. energy: -1.447
local terms energy: -198.865833
where:
bonds (distance) C4'-P energy: -40.883
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -42.400
flat angles P-C4'-P energy: -28.587
tors. eta vs tors. theta energy: -45.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -557.415404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.415404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.415404 (E_RNA)
where:
Base-Base interactions energy: -375.522
where: short stacking energy: -175.917
Base-Backbone interact. energy: -1.389
local terms energy: -180.504390
where:
bonds (distance) C4'-P energy: -34.506
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -41.280
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -47.982
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: 34
Temperature: 1.050000
Total energy: -510.939764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.939764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.939764 (E_RNA)
where:
Base-Base interactions energy: -329.725
where: short stacking energy: -139.005
Base-Backbone interact. energy: -0.384
local terms energy: -180.830860
where:
bonds (distance) C4'-P energy: -35.564
bonds (distance) P-C4' energy: -43.805
flat angles C4'-P-C4' energy: -37.303
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -41.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -452.109146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.109146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.109146 (E_RNA)
where:
Base-Base interactions energy: -278.821
where: short stacking energy: -130.875
Base-Backbone interact. energy: 3.120
local terms energy: -176.408037
where:
bonds (distance) C4'-P energy: -34.402
bonds (distance) P-C4' energy: -45.101
flat angles C4'-P-C4' energy: -37.999
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -31.877
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: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -294.983688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.983688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.983688 (E_RNA)
where:
Base-Base interactions energy: -150.961
where: short stacking energy: -80.854
Base-Backbone interact. energy: -0.471
local terms energy: -143.552249
where:
bonds (distance) C4'-P energy: -38.421
bonds (distance) P-C4' energy: -34.420
flat angles C4'-P-C4' energy: -38.185
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -240.656045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.656045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.656045 (E_RNA)
where:
Base-Base interactions energy: -118.370
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.623
local terms energy: -121.663436
where:
bonds (distance) C4'-P energy: -40.205
bonds (distance) P-C4' energy: -36.352
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: 0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -188.255934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.255934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.255934 (E_RNA)
where:
Base-Base interactions energy: -75.674
where: short stacking energy: -60.637
Base-Backbone interact. energy: -0.110
local terms energy: -112.472594
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -25.647
flat angles C4'-P-C4' energy: -33.637
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: 3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -242.890100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.890100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.890100 (E_RNA)
where:
Base-Base interactions energy: -115.265
where: short stacking energy: -57.902
Base-Backbone interact. energy: -1.017
local terms energy: -126.607868
where:
bonds (distance) C4'-P energy: -35.277
bonds (distance) P-C4' energy: -39.199
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: 1.808
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: 34
Temperature: 1.350000
Total energy: -183.858123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.858123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.858123 (E_RNA)
where:
Base-Base interactions energy: -68.212
where: short stacking energy: -33.810
Base-Backbone interact. energy: 1.553
local terms energy: -117.198483
where:
bonds (distance) C4'-P energy: -39.920
bonds (distance) P-C4' energy: -36.290
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: 2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -616.616831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.616831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.616831 (E_RNA)
where:
Base-Base interactions energy: -400.613
where: short stacking energy: -195.064
Base-Backbone interact. energy: -2.366
local terms energy: -213.637960
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -40.615
flat angles C4'-P-C4' energy: -46.941
flat angles P-C4'-P energy: -33.156
tors. eta vs tors. theta energy: -60.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -608.079695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.079695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.079695 (E_RNA)
where:
Base-Base interactions energy: -408.573
where: short stacking energy: -162.516
Base-Backbone interact. energy: -1.419
local terms energy: -198.087686
where:
bonds (distance) C4'-P energy: -38.354
bonds (distance) P-C4' energy: -41.658
flat angles C4'-P-C4' energy: -43.202
flat angles P-C4'-P energy: -31.682
tors. eta vs tors. theta energy: -43.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -562.260061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.260061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.260061 (E_RNA)
where:
Base-Base interactions energy: -362.044
where: short stacking energy: -164.944
Base-Backbone interact. energy: -0.703
local terms energy: -199.513879
where:
bonds (distance) C4'-P energy: -35.750
bonds (distance) P-C4' energy: -44.171
flat angles C4'-P-C4' energy: -49.455
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -46.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -537.481626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.481626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.481626 (E_RNA)
where:
Base-Base interactions energy: -352.922
where: short stacking energy: -146.484
Base-Backbone interact. energy: -0.953
local terms energy: -183.605984
where:
bonds (distance) C4'-P energy: -39.695
bonds (distance) P-C4' energy: -37.899
flat angles C4'-P-C4' energy: -33.324
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: -38.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -474.369544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.369544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.369544 (E_RNA)
where:
Base-Base interactions energy: -308.185
where: short stacking energy: -144.133
Base-Backbone interact. energy: 2.778
local terms energy: -168.962923
where:
bonds (distance) C4'-P energy: -32.872
bonds (distance) P-C4' energy: -41.630
flat angles C4'-P-C4' energy: -40.804
flat angles P-C4'-P energy: -20.179
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: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -282.026282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.026282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.026282 (E_RNA)
where:
Base-Base interactions energy: -138.457
where: short stacking energy: -80.744
Base-Backbone interact. energy: -0.896
local terms energy: -142.673423
where:
bonds (distance) C4'-P energy: -32.906
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: -16.421
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: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -257.623979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.623979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.623979 (E_RNA)
where:
Base-Base interactions energy: -120.225
where: short stacking energy: -85.830
Base-Backbone interact. energy: -1.352
local terms energy: -136.047168
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -40.245
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -257.616187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.616187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.616187 (E_RNA)
where:
Base-Base interactions energy: -129.208
where: short stacking energy: -60.837
Base-Backbone interact. energy: -0.416
local terms energy: -127.992255
where:
bonds (distance) C4'-P energy: -35.553
bonds (distance) P-C4' energy: -41.813
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -187.835006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.835006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.835006 (E_RNA)
where:
Base-Base interactions energy: -63.831
where: short stacking energy: -55.534
Base-Backbone interact. energy: 3.744
local terms energy: -127.748371
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -168.825131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.825131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.825131 (E_RNA)
where:
Base-Base interactions energy: -42.115
where: short stacking energy: -40.180
Base-Backbone interact. energy: -2.017
local terms energy: -124.692514
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -625.902233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.902233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.902233 (E_RNA)
where:
Base-Base interactions energy: -420.076
where: short stacking energy: -179.850
Base-Backbone interact. energy: -0.484
local terms energy: -205.342264
where:
bonds (distance) C4'-P energy: -41.825
bonds (distance) P-C4' energy: -36.106
flat angles C4'-P-C4' energy: -45.329
flat angles P-C4'-P energy: -30.592
tors. eta vs tors. theta energy: -51.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -599.102992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.102992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.102992 (E_RNA)
where:
Base-Base interactions energy: -403.178
where: short stacking energy: -187.686
Base-Backbone interact. energy: -0.466
local terms energy: -195.458138
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -41.383
flat angles C4'-P-C4' energy: -44.787
flat angles P-C4'-P energy: -23.797
tors. eta vs tors. theta energy: -61.244
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: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -556.510826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.510826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.510826 (E_RNA)
where:
Base-Base interactions energy: -357.173
where: short stacking energy: -163.243
Base-Backbone interact. energy: -0.919
local terms energy: -198.419242
where:
bonds (distance) C4'-P energy: -38.567
bonds (distance) P-C4' energy: -40.092
flat angles C4'-P-C4' energy: -40.502
flat angles P-C4'-P energy: -31.790
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: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -536.662215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.662215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.662215 (E_RNA)
where:
Base-Base interactions energy: -345.673
where: short stacking energy: -154.986
Base-Backbone interact. energy: -1.362
local terms energy: -189.627034
where:
bonds (distance) C4'-P energy: -46.089
bonds (distance) P-C4' energy: -34.324
flat angles C4'-P-C4' energy: -46.717
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -41.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -471.035498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.035498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.035498 (E_RNA)
where:
Base-Base interactions energy: -298.970
where: short stacking energy: -135.038
Base-Backbone interact. energy: -0.938
local terms energy: -171.127885
where:
bonds (distance) C4'-P energy: -38.208
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -39.506
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -36.872
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: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -304.159296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.159296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.159296 (E_RNA)
where:
Base-Base interactions energy: -172.952
where: short stacking energy: -94.170
Base-Backbone interact. energy: -1.312
local terms energy: -129.895002
where:
bonds (distance) C4'-P energy: -32.590
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -285.736925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.736925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.736925 (E_RNA)
where:
Base-Base interactions energy: -140.334
where: short stacking energy: -79.643
Base-Backbone interact. energy: -0.433
local terms energy: -144.969846
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -42.151
flat angles C4'-P-C4' energy: -38.244
flat angles P-C4'-P energy: -23.396
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -222.537405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.537405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.537405 (E_RNA)
where:
Base-Base interactions energy: -99.559
where: short stacking energy: -63.125
Base-Backbone interact. energy: -3.102
local terms energy: -119.876566
where:
bonds (distance) C4'-P energy: -31.235
bonds (distance) P-C4' energy: -40.854
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -3.233
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: 36
Temperature: 1.300000
Total energy: -179.371921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.371921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.371921 (E_RNA)
where:
Base-Base interactions energy: -48.231
where: short stacking energy: -43.359
Base-Backbone interact. energy: 0.629
local terms energy: -131.769929
where:
bonds (distance) C4'-P energy: -34.990
bonds (distance) P-C4' energy: -41.330
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -24.062
tors. eta vs tors. theta energy: 3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -196.159939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.159939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.159939 (E_RNA)
where:
Base-Base interactions energy: -99.211
where: short stacking energy: -37.651
Base-Backbone interact. energy: 0.636
local terms energy: -97.584736
where:
bonds (distance) C4'-P energy: -36.758
bonds (distance) P-C4' energy: -36.023
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: 11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -619.630447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.630447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.630447 (E_RNA)
where:
Base-Base interactions energy: -409.652
where: short stacking energy: -181.924
Base-Backbone interact. energy: -0.511
local terms energy: -209.466861
where:
bonds (distance) C4'-P energy: -44.161
bonds (distance) P-C4' energy: -40.148
flat angles C4'-P-C4' energy: -44.030
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -52.722
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: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -608.801418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.801418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.801418 (E_RNA)
where:
Base-Base interactions energy: -398.953
where: short stacking energy: -179.127
Base-Backbone interact. energy: -0.984
local terms energy: -208.864565
where:
bonds (distance) C4'-P energy: -39.613
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -43.285
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: -60.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -550.959755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.959755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.959755 (E_RNA)
where:
Base-Base interactions energy: -352.404
where: short stacking energy: -153.572
Base-Backbone interact. energy: -1.089
local terms energy: -197.466887
where:
bonds (distance) C4'-P energy: -38.801
bonds (distance) P-C4' energy: -42.783
flat angles C4'-P-C4' energy: -41.893
flat angles P-C4'-P energy: -30.901
tors. eta vs tors. theta energy: -43.089
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: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -478.113749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.113749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.113749 (E_RNA)
where:
Base-Base interactions energy: -309.794
where: short stacking energy: -130.356
Base-Backbone interact. energy: -0.544
local terms energy: -167.775224
where:
bonds (distance) C4'-P energy: -30.105
bonds (distance) P-C4' energy: -45.189
flat angles C4'-P-C4' energy: -37.802
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -31.382
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: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -509.404617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.404617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.404617 (E_RNA)
where:
Base-Base interactions energy: -320.462
where: short stacking energy: -164.610
Base-Backbone interact. energy: 0.689
local terms energy: -189.631482
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -41.673
flat angles C4'-P-C4' energy: -37.387
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -45.889
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: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -307.013609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.013609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.013609 (E_RNA)
where:
Base-Base interactions energy: -166.822
where: short stacking energy: -74.035
Base-Backbone interact. energy: 0.052
local terms energy: -140.243644
where:
bonds (distance) C4'-P energy: -32.822
bonds (distance) P-C4' energy: -39.009
flat angles C4'-P-C4' energy: -31.799
flat angles P-C4'-P energy: -27.419
tors. eta vs tors. theta energy: -9.195
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: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -336.596132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.596132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.596132 (E_RNA)
where:
Base-Base interactions energy: -187.468
where: short stacking energy: -92.383
Base-Backbone interact. energy: -0.099
local terms energy: -149.028874
where:
bonds (distance) C4'-P energy: -37.562
bonds (distance) P-C4' energy: -40.339
flat angles C4'-P-C4' energy: -36.225
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -20.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -190.337394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.337394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.337394 (E_RNA)
where:
Base-Base interactions energy: -67.240
where: short stacking energy: -54.699
Base-Backbone interact. energy: -0.895
local terms energy: -122.201756
where:
bonds (distance) C4'-P energy: -35.327
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -1.436
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: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -185.991644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.991644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.991644 (E_RNA)
where:
Base-Base interactions energy: -67.301
where: short stacking energy: -47.881
Base-Backbone interact. energy: 1.224
local terms energy: -119.914499
where:
bonds (distance) C4'-P energy: -35.252
bonds (distance) P-C4' energy: -33.960
flat angles C4'-P-C4' energy: -30.851
flat angles P-C4'-P energy: -26.950
tors. eta vs tors. theta energy: 7.099
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: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -175.297690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.297690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.297690 (E_RNA)
where:
Base-Base interactions energy: -60.515
where: short stacking energy: -47.511
Base-Backbone interact. energy: -1.577
local terms energy: -113.205322
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -5.515
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: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -641.322178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.322178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.322178 (E_RNA)
where:
Base-Base interactions energy: -430.345
where: short stacking energy: -198.019
Base-Backbone interact. energy: -1.683
local terms energy: -209.294313
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -39.320
flat angles C4'-P-C4' energy: -44.862
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: -60.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -594.739441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.739441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.739441 (E_RNA)
where:
Base-Base interactions energy: -403.941
where: short stacking energy: -185.450
Base-Backbone interact. energy: -1.889
local terms energy: -188.908720
where:
bonds (distance) C4'-P energy: -31.658
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -44.667
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -52.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -583.700413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.700413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.700413 (E_RNA)
where:
Base-Base interactions energy: -398.912
where: short stacking energy: -149.732
Base-Backbone interact. energy: -0.647
local terms energy: -184.141433
where:
bonds (distance) C4'-P energy: -32.404
bonds (distance) P-C4' energy: -45.978
flat angles C4'-P-C4' energy: -42.414
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -42.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -474.574033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.574033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.574033 (E_RNA)
where:
Base-Base interactions energy: -288.664
where: short stacking energy: -136.016
Base-Backbone interact. energy: -0.174
local terms energy: -185.736208
where:
bonds (distance) C4'-P energy: -43.786
bonds (distance) P-C4' energy: -41.498
flat angles C4'-P-C4' energy: -40.731
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -30.842
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: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -448.788006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.788006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.788006 (E_RNA)
where:
Base-Base interactions energy: -286.175
where: short stacking energy: -134.959
Base-Backbone interact. energy: -1.223
local terms energy: -161.389438
where:
bonds (distance) C4'-P energy: -32.212
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: -35.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -394.409424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.409424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.409424 (E_RNA)
where:
Base-Base interactions energy: -242.072
where: short stacking energy: -109.601
Base-Backbone interact. energy: 1.037
local terms energy: -153.373885
where:
bonds (distance) C4'-P energy: -42.131
bonds (distance) P-C4' energy: -33.601
flat angles C4'-P-C4' energy: -32.734
flat angles P-C4'-P energy: -26.502
tors. eta vs tors. theta energy: -18.405
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: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -342.927475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.927475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.927475 (E_RNA)
where:
Base-Base interactions energy: -198.875
where: short stacking energy: -96.079
Base-Backbone interact. energy: -1.012
local terms energy: -143.041198
where:
bonds (distance) C4'-P energy: -37.440
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -26.371
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -237.431810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.431810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.431810 (E_RNA)
where:
Base-Base interactions energy: -119.957
where: short stacking energy: -61.779
Base-Backbone interact. energy: 1.438
local terms energy: -118.912752
where:
bonds (distance) C4'-P energy: -32.431
bonds (distance) P-C4' energy: -32.055
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -27.709
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -176.439673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.439673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.439673 (E_RNA)
where:
Base-Base interactions energy: -58.774
where: short stacking energy: -56.423
Base-Backbone interact. energy: 0.560
local terms energy: -118.225882
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -22.301
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -182.306583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.306583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.306583 (E_RNA)
where:
Base-Base interactions energy: -57.949
where: short stacking energy: -39.221
Base-Backbone interact. energy: -0.278
local terms energy: -124.079196
where:
bonds (distance) C4'-P energy: -38.640
bonds (distance) P-C4' energy: -38.094
flat angles C4'-P-C4' energy: -34.223
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: 6.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -632.051846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.051846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.051846 (E_RNA)
where:
Base-Base interactions energy: -411.813
where: short stacking energy: -195.636
Base-Backbone interact. energy: -0.024
local terms energy: -220.214411
where:
bonds (distance) C4'-P energy: -38.986
bonds (distance) P-C4' energy: -41.830
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -63.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -579.293795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.293795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.293795 (E_RNA)
where:
Base-Base interactions energy: -387.014
where: short stacking energy: -167.606
Base-Backbone interact. energy: -0.724
local terms energy: -191.556042
where:
bonds (distance) C4'-P energy: -33.708
bonds (distance) P-C4' energy: -42.204
flat angles C4'-P-C4' energy: -38.895
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -52.866
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: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -589.998111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.998111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.998111 (E_RNA)
where:
Base-Base interactions energy: -392.206
where: short stacking energy: -152.484
Base-Backbone interact. energy: -0.755
local terms energy: -197.037077
where:
bonds (distance) C4'-P energy: -48.291
bonds (distance) P-C4' energy: -38.437
flat angles C4'-P-C4' energy: -43.529
flat angles P-C4'-P energy: -26.570
tors. eta vs tors. theta energy: -40.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -473.146199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.146199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.146199 (E_RNA)
where:
Base-Base interactions energy: -313.871
where: short stacking energy: -142.019
Base-Backbone interact. energy: 0.689
local terms energy: -159.964438
where:
bonds (distance) C4'-P energy: -31.725
bonds (distance) P-C4' energy: -37.614
flat angles C4'-P-C4' energy: -39.101
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -30.561
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: 39
Temperature: 1.100000
Total energy: -477.324902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.324902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.324902 (E_RNA)
where:
Base-Base interactions energy: -302.027
where: short stacking energy: -148.916
Base-Backbone interact. energy: -0.048
local terms energy: -175.250440
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -36.922
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -27.802
tors. eta vs tors. theta energy: -46.532
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: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -402.273010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.273010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.273010 (E_RNA)
where:
Base-Base interactions energy: -241.776
where: short stacking energy: -102.633
Base-Backbone interact. energy: -1.422
local terms energy: -159.074744
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -35.149
flat angles C4'-P-C4' energy: -34.702
flat angles P-C4'-P energy: -29.456
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: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -325.703097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.703097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.703097 (E_RNA)
where:
Base-Base interactions energy: -194.161
where: short stacking energy: -96.710
Base-Backbone interact. energy: -2.141
local terms energy: -129.400894
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -29.916
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -18.900
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: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -237.039811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.039811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.039811 (E_RNA)
where:
Base-Base interactions energy: -105.571
where: short stacking energy: -72.872
Base-Backbone interact. energy: -0.864
local terms energy: -130.605744
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -36.110
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -172.917120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.917120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.917120 (E_RNA)
where:
Base-Base interactions energy: -54.317
where: short stacking energy: -31.013
Base-Backbone interact. energy: -0.005
local terms energy: -118.595700
where:
bonds (distance) C4'-P energy: -35.994
bonds (distance) P-C4' energy: -38.592
flat angles C4'-P-C4' energy: -32.635
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: 11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -159.667068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.667068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.667068 (E_RNA)
where:
Base-Base interactions energy: -60.496
where: short stacking energy: -40.774
Base-Backbone interact. energy: -1.208
local terms energy: -97.963427
where:
bonds (distance) C4'-P energy: -26.875
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: 1.451
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: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -636.200139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.200139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.200139 (E_RNA)
where:
Base-Base interactions energy: -418.189
where: short stacking energy: -194.818
Base-Backbone interact. energy: -0.254
local terms energy: -217.757386
where:
bonds (distance) C4'-P energy: -39.707
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -49.592
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -57.019
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: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -592.023387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.023387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.023387 (E_RNA)
where:
Base-Base interactions energy: -388.522
where: short stacking energy: -188.249
Base-Backbone interact. energy: 1.139
local terms energy: -204.639900
where:
bonds (distance) C4'-P energy: -40.931
bonds (distance) P-C4' energy: -37.456
flat angles C4'-P-C4' energy: -47.114
flat angles P-C4'-P energy: -26.645
tors. eta vs tors. theta energy: -52.494
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: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -592.729868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.729868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.729868 (E_RNA)
where:
Base-Base interactions energy: -389.958
where: short stacking energy: -161.237
Base-Backbone interact. energy: -1.046
local terms energy: -201.725509
where:
bonds (distance) C4'-P energy: -33.427
bonds (distance) P-C4' energy: -46.551
flat angles C4'-P-C4' energy: -42.512
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -49.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -471.012257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.012257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.012257 (E_RNA)
where:
Base-Base interactions energy: -313.436
where: short stacking energy: -131.063
Base-Backbone interact. energy: -0.439
local terms energy: -157.137766
where:
bonds (distance) C4'-P energy: -32.678
bonds (distance) P-C4' energy: -38.080
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -22.634
tors. eta vs tors. theta energy: -33.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -480.043685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.043685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.043685 (E_RNA)
where:
Base-Base interactions energy: -295.108
where: short stacking energy: -149.212
Base-Backbone interact. energy: 2.093
local terms energy: -187.028107
where:
bonds (distance) C4'-P energy: -38.627
bonds (distance) P-C4' energy: -40.079
flat angles C4'-P-C4' energy: -40.707
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -42.481
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: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -342.859684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.859684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.859684 (E_RNA)
where:
Base-Base interactions energy: -205.565
where: short stacking energy: -88.871
Base-Backbone interact. energy: 3.333
local terms energy: -140.626887
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -37.617
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -13.930
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: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -333.084509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.084509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.084509 (E_RNA)
where:
Base-Base interactions energy: -195.546
where: short stacking energy: -97.621
Base-Backbone interact. energy: -0.443
local terms energy: -137.095612
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -277.355145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.355145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.355145 (E_RNA)
where:
Base-Base interactions energy: -154.543
where: short stacking energy: -73.940
Base-Backbone interact. energy: -0.385
local terms energy: -122.426771
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -33.586
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -14.779
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: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -199.977183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.977183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.977183 (E_RNA)
where:
Base-Base interactions energy: -86.510
where: short stacking energy: -58.348
Base-Backbone interact. energy: 0.328
local terms energy: -113.795562
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -33.907
flat angles C4'-P-C4' energy: -26.769
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -8.838
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: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -163.173996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.173996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.173996 (E_RNA)
where:
Base-Base interactions energy: -53.084
where: short stacking energy: -39.175
Base-Backbone interact. energy: 0.396
local terms energy: -110.485992
where:
bonds (distance) C4'-P energy: -38.062
bonds (distance) P-C4' energy: -38.752
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: 2.043
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: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -632.590993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.590993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.590993 (E_RNA)
where:
Base-Base interactions energy: -428.154
where: short stacking energy: -206.214
Base-Backbone interact. energy: 0.077
local terms energy: -204.514629
where:
bonds (distance) C4'-P energy: -41.581
bonds (distance) P-C4' energy: -37.903
flat angles C4'-P-C4' energy: -39.922
flat angles P-C4'-P energy: -27.199
tors. eta vs tors. theta energy: -57.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -612.067906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.067906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.067906 (E_RNA)
where:
Base-Base interactions energy: -412.481
where: short stacking energy: -168.340
Base-Backbone interact. energy: 0.335
local terms energy: -199.922154
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -39.034
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -31.583
tors. eta vs tors. theta energy: -46.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -586.620130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.620130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.620130 (E_RNA)
where:
Base-Base interactions energy: -393.767
where: short stacking energy: -169.668
Base-Backbone interact. energy: -1.601
local terms energy: -191.251864
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -40.193
flat angles C4'-P-C4' energy: -42.060
flat angles P-C4'-P energy: -25.614
tors. eta vs tors. theta energy: -43.074
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: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -480.807830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.807830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.807830 (E_RNA)
where:
Base-Base interactions energy: -305.846
where: short stacking energy: -129.089
Base-Backbone interact. energy: -1.925
local terms energy: -173.037132
where:
bonds (distance) C4'-P energy: -40.175
bonds (distance) P-C4' energy: -31.999
flat angles C4'-P-C4' energy: -42.620
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -33.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -428.423891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.423891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.423891 (E_RNA)
where:
Base-Base interactions energy: -245.753
where: short stacking energy: -142.127
Base-Backbone interact. energy: -1.455
local terms energy: -181.216047
where:
bonds (distance) C4'-P energy: -31.067
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -39.960
flat angles P-C4'-P energy: -29.424
tors. eta vs tors. theta energy: -42.162
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -359.753085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.753085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.753085 (E_RNA)
where:
Base-Base interactions energy: -217.155
where: short stacking energy: -106.901
Base-Backbone interact. energy: 0.998
local terms energy: -143.596040
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -36.466
flat angles C4'-P-C4' energy: -35.973
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -335.804789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.804789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.804789 (E_RNA)
where:
Base-Base interactions energy: -197.054
where: short stacking energy: -88.621
Base-Backbone interact. energy: 0.239
local terms energy: -138.989443
where:
bonds (distance) C4'-P energy: -32.887
bonds (distance) P-C4' energy: -31.791
flat angles C4'-P-C4' energy: -36.921
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -207.879260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.879260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.879260 (E_RNA)
where:
Base-Base interactions energy: -72.346
where: short stacking energy: -60.494
Base-Backbone interact. energy: -1.047
local terms energy: -134.486173
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -42.519
flat angles C4'-P-C4' energy: -43.370
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -174.580392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.580392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.580392 (E_RNA)
where:
Base-Base interactions energy: -54.273
where: short stacking energy: -39.749
Base-Backbone interact. energy: -1.978
local terms energy: -118.329359
where:
bonds (distance) C4'-P energy: -30.527
bonds (distance) P-C4' energy: -34.690
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: 2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -166.290894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.290894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.290894 (E_RNA)
where:
Base-Base interactions energy: -49.453
where: short stacking energy: -47.194
Base-Backbone interact. energy: -0.650
local terms energy: -116.187988
where:
bonds (distance) C4'-P energy: -35.532
bonds (distance) P-C4' energy: -38.244
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: 3.217
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: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -622.205144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.205144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.205144 (E_RNA)
where:
Base-Base interactions energy: -430.746
where: short stacking energy: -183.511
Base-Backbone interact. energy: -0.319
local terms energy: -191.140121
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -37.784
flat angles C4'-P-C4' energy: -38.762
flat angles P-C4'-P energy: -24.200
tors. eta vs tors. theta energy: -55.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -600.527820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.527820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.527820 (E_RNA)
where:
Base-Base interactions energy: -397.606
where: short stacking energy: -164.561
Base-Backbone interact. energy: -0.883
local terms energy: -202.039692
where:
bonds (distance) C4'-P energy: -45.540
bonds (distance) P-C4' energy: -40.213
flat angles C4'-P-C4' energy: -40.181
flat angles P-C4'-P energy: -26.124
tors. eta vs tors. theta energy: -49.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -592.144622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.144622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.144622 (E_RNA)
where:
Base-Base interactions energy: -390.188
where: short stacking energy: -175.156
Base-Backbone interact. energy: -0.571
local terms energy: -201.386233
where:
bonds (distance) C4'-P energy: -36.672
bonds (distance) P-C4' energy: -46.423
flat angles C4'-P-C4' energy: -41.975
flat angles P-C4'-P energy: -33.807
tors. eta vs tors. theta energy: -42.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -485.016479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.016479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.016479 (E_RNA)
where:
Base-Base interactions energy: -311.536
where: short stacking energy: -143.398
Base-Backbone interact. energy: -0.033
local terms energy: -173.447421
where:
bonds (distance) C4'-P energy: -31.382
bonds (distance) P-C4' energy: -43.816
flat angles C4'-P-C4' energy: -38.928
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -35.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -400.565112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.565112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.565112 (E_RNA)
where:
Base-Base interactions energy: -229.256
where: short stacking energy: -107.783
Base-Backbone interact. energy: -0.329
local terms energy: -170.980560
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -41.837
flat angles C4'-P-C4' energy: -40.196
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -30.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -403.393637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.393637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.393637 (E_RNA)
where:
Base-Base interactions energy: -243.156
where: short stacking energy: -123.345
Base-Backbone interact. energy: -0.252
local terms energy: -159.985698
where:
bonds (distance) C4'-P energy: -37.066
bonds (distance) P-C4' energy: -32.582
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -31.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -375.204780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.204780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.204780 (E_RNA)
where:
Base-Base interactions energy: -221.202
where: short stacking energy: -98.521
Base-Backbone interact. energy: 2.390
local terms energy: -156.392833
where:
bonds (distance) C4'-P energy: -36.537
bonds (distance) P-C4' energy: -39.655
flat angles C4'-P-C4' energy: -36.405
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -266.189673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.189673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.189673 (E_RNA)
where:
Base-Base interactions energy: -129.839
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.605
local terms energy: -135.745541
where:
bonds (distance) C4'-P energy: -35.105
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -42.843
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: -9.054
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: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -177.477790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.477790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.477790 (E_RNA)
where:
Base-Base interactions energy: -61.432
where: short stacking energy: -52.192
Base-Backbone interact. energy: 1.402
local terms energy: -117.447601
where:
bonds (distance) C4'-P energy: -40.244
bonds (distance) P-C4' energy: -35.736
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: 0.867
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: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -191.802577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.802577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.802577 (E_RNA)
where:
Base-Base interactions energy: -60.500
where: short stacking energy: -60.500
Base-Backbone interact. energy: -1.259
local terms energy: -130.043083
where:
bonds (distance) C4'-P energy: -41.903
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -631.792345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.792345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.792345 (E_RNA)
where:
Base-Base interactions energy: -420.117
where: short stacking energy: -192.451
Base-Backbone interact. energy: -1.371
local terms energy: -210.304617
where:
bonds (distance) C4'-P energy: -35.178
bonds (distance) P-C4' energy: -45.472
flat angles C4'-P-C4' energy: -45.553
flat angles P-C4'-P energy: -28.027
tors. eta vs tors. theta energy: -56.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -590.412373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.412373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.412373 (E_RNA)
where:
Base-Base interactions energy: -391.359
where: short stacking energy: -164.145
Base-Backbone interact. energy: -1.424
local terms energy: -197.629485
where:
bonds (distance) C4'-P energy: -41.524
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -41.859
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -51.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -584.733396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.733396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.733396 (E_RNA)
where:
Base-Base interactions energy: -398.355
where: short stacking energy: -164.291
Base-Backbone interact. energy: -0.768
local terms energy: -185.611039
where:
bonds (distance) C4'-P energy: -35.816
bonds (distance) P-C4' energy: -41.668
flat angles C4'-P-C4' energy: -40.458
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -44.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -490.264757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.264757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.264757 (E_RNA)
where:
Base-Base interactions energy: -329.170
where: short stacking energy: -155.294
Base-Backbone interact. energy: -0.966
local terms energy: -160.128988
where:
bonds (distance) C4'-P energy: -36.486
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -35.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -427.886516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.886516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.886516 (E_RNA)
where:
Base-Base interactions energy: -245.670
where: short stacking energy: -110.637
Base-Backbone interact. energy: -0.967
local terms energy: -181.250264
where:
bonds (distance) C4'-P energy: -38.468
bonds (distance) P-C4' energy: -39.107
flat angles C4'-P-C4' energy: -44.553
flat angles P-C4'-P energy: -27.032
tors. eta vs tors. theta energy: -32.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -414.337638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.337638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.337638 (E_RNA)
where:
Base-Base interactions energy: -256.544
where: short stacking energy: -108.650
Base-Backbone interact. energy: -0.382
local terms energy: -157.411485
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -41.135
flat angles C4'-P-C4' energy: -44.749
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -29.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -383.658965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.658965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.658965 (E_RNA)
where:
Base-Base interactions energy: -235.019
where: short stacking energy: -113.324
Base-Backbone interact. energy: -1.492
local terms energy: -147.147951
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -43.237
flat angles C4'-P-C4' energy: -36.797
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -26.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -270.496951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.496951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.496951 (E_RNA)
where:
Base-Base interactions energy: -134.927
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.257
local terms energy: -135.313220
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -34.290
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -256.711504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.711504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.711504 (E_RNA)
where:
Base-Base interactions energy: -126.627
where: short stacking energy: -49.930
Base-Backbone interact. energy: -0.470
local terms energy: -129.614572
where:
bonds (distance) C4'-P energy: -38.087
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -188.720906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.720906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.720906 (E_RNA)
where:
Base-Base interactions energy: -71.267
where: short stacking energy: -56.413
Base-Backbone interact. energy: 0.755
local terms energy: -118.209256
where:
bonds (distance) C4'-P energy: -38.430
bonds (distance) P-C4' energy: -26.775
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -16.426
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: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -628.889878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.889878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.889878 (E_RNA)
where:
Base-Base interactions energy: -414.729
where: short stacking energy: -196.520
Base-Backbone interact. energy: -0.178
local terms energy: -213.983247
where:
bonds (distance) C4'-P energy: -35.082
bonds (distance) P-C4' energy: -39.340
flat angles C4'-P-C4' energy: -45.654
flat angles P-C4'-P energy: -33.323
tors. eta vs tors. theta energy: -60.584
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: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -611.859650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.859650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.859650 (E_RNA)
where:
Base-Base interactions energy: -409.153
where: short stacking energy: -173.797
Base-Backbone interact. energy: -0.477
local terms energy: -202.230179
where:
bonds (distance) C4'-P energy: -37.555
bonds (distance) P-C4' energy: -40.557
flat angles C4'-P-C4' energy: -47.220
flat angles P-C4'-P energy: -24.843
tors. eta vs tors. theta energy: -52.055
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: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -578.243069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.243069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.243069 (E_RNA)
where:
Base-Base interactions energy: -390.879
where: short stacking energy: -161.358
Base-Backbone interact. energy: 1.104
local terms energy: -188.467599
where:
bonds (distance) C4'-P energy: -38.410
bonds (distance) P-C4' energy: -40.089
flat angles C4'-P-C4' energy: -40.147
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -43.996
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: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -483.020892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.020892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.020892 (E_RNA)
where:
Base-Base interactions energy: -299.083
where: short stacking energy: -128.984
Base-Backbone interact. energy: -1.070
local terms energy: -182.867327
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -46.982
flat angles C4'-P-C4' energy: -39.984
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -38.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -415.527147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.527147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.527147 (E_RNA)
where:
Base-Base interactions energy: -246.685
where: short stacking energy: -120.728
Base-Backbone interact. energy: -0.925
local terms energy: -167.916940
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -43.321
flat angles C4'-P-C4' energy: -40.060
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -35.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -378.850074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.850074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.850074 (E_RNA)
where:
Base-Base interactions energy: -239.935
where: short stacking energy: -112.505
Base-Backbone interact. energy: -1.024
local terms energy: -137.891917
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -34.793
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -21.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -360.234414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.234414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.234414 (E_RNA)
where:
Base-Base interactions energy: -224.144
where: short stacking energy: -110.271
Base-Backbone interact. energy: -0.651
local terms energy: -135.439992
where:
bonds (distance) C4'-P energy: -31.518
bonds (distance) P-C4' energy: -30.064
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -24.284
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: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -247.189729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.189729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.189729 (E_RNA)
where:
Base-Base interactions energy: -104.528
where: short stacking energy: -63.721
Base-Backbone interact. energy: 0.200
local terms energy: -142.861665
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -37.834
flat angles C4'-P-C4' energy: -41.265
flat angles P-C4'-P energy: -26.725
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -316.347033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.347033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.347033 (E_RNA)
where:
Base-Base interactions energy: -188.596
where: short stacking energy: -86.012
Base-Backbone interact. energy: 0.199
local terms energy: -127.949669
where:
bonds (distance) C4'-P energy: -36.408
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -26.935
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: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -178.217420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.217420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.217420 (E_RNA)
where:
Base-Base interactions energy: -76.648
where: short stacking energy: -60.516
Base-Backbone interact. energy: 3.014
local terms energy: -104.583361
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: 2.435
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: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -646.799856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.799856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.799856 (E_RNA)
where:
Base-Base interactions energy: -426.361
where: short stacking energy: -197.428
Base-Backbone interact. energy: 0.437
local terms energy: -220.875904
where:
bonds (distance) C4'-P energy: -44.199
bonds (distance) P-C4' energy: -39.961
flat angles C4'-P-C4' energy: -44.145
flat angles P-C4'-P energy: -28.932
tors. eta vs tors. theta energy: -63.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -617.145854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.145854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.145854 (E_RNA)
where:
Base-Base interactions energy: -412.380
where: short stacking energy: -182.520
Base-Backbone interact. energy: -1.959
local terms energy: -202.807329
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -34.415
tors. eta vs tors. theta energy: -46.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -595.963779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.963779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.963779 (E_RNA)
where:
Base-Base interactions energy: -400.909
where: short stacking energy: -169.555
Base-Backbone interact. energy: -1.497
local terms energy: -193.557843
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -41.928
flat angles C4'-P-C4' energy: -41.347
flat angles P-C4'-P energy: -28.592
tors. eta vs tors. theta energy: -53.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -486.469710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.469710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.469710 (E_RNA)
where:
Base-Base interactions energy: -297.177
where: short stacking energy: -135.183
Base-Backbone interact. energy: -1.532
local terms energy: -187.760442
where:
bonds (distance) C4'-P energy: -36.581
bonds (distance) P-C4' energy: -38.510
flat angles C4'-P-C4' energy: -41.436
flat angles P-C4'-P energy: -29.492
tors. eta vs tors. theta energy: -41.741
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: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -405.694694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.694694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.694694 (E_RNA)
where:
Base-Base interactions energy: -248.968
where: short stacking energy: -117.186
Base-Backbone interact. energy: -1.506
local terms energy: -155.220773
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -42.019
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -23.870
tors. eta vs tors. theta energy: -28.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -371.024473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.024473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.024473 (E_RNA)
where:
Base-Base interactions energy: -221.691
where: short stacking energy: -100.700
Base-Backbone interact. energy: -0.832
local terms energy: -148.501616
where:
bonds (distance) C4'-P energy: -34.104
bonds (distance) P-C4' energy: -36.594
flat angles C4'-P-C4' energy: -32.345
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -22.121
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: 45
Temperature: 1.200000
Total energy: -356.008501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.008501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.008501 (E_RNA)
where:
Base-Base interactions energy: -210.510
where: short stacking energy: -98.788
Base-Backbone interact. energy: 0.600
local terms energy: -146.098046
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -41.648
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -340.562045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.562045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.562045 (E_RNA)
where:
Base-Base interactions energy: -186.833
where: short stacking energy: -84.227
Base-Backbone interact. energy: -1.462
local terms energy: -152.267423
where:
bonds (distance) C4'-P energy: -31.940
bonds (distance) P-C4' energy: -37.040
flat angles C4'-P-C4' energy: -34.777
flat angles P-C4'-P energy: -34.780
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -189.866090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.866090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.866090 (E_RNA)
where:
Base-Base interactions energy: -69.089
where: short stacking energy: -57.920
Base-Backbone interact. energy: -0.190
local terms energy: -120.586924
where:
bonds (distance) C4'-P energy: -39.943
bonds (distance) P-C4' energy: -37.405
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -177.632436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.632436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.632436 (E_RNA)
where:
Base-Base interactions energy: -67.430
where: short stacking energy: -45.688
Base-Backbone interact. energy: -0.415
local terms energy: -109.787520
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -33.080
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -7.138
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: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -651.853810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.853810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.853810 (E_RNA)
where:
Base-Base interactions energy: -432.065
where: short stacking energy: -199.192
Base-Backbone interact. energy: -0.054
local terms energy: -219.734474
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -42.098
flat angles C4'-P-C4' energy: -46.644
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -64.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -589.065133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.065133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.065133 (E_RNA)
where:
Base-Base interactions energy: -405.051
where: short stacking energy: -166.138
Base-Backbone interact. energy: -0.781
local terms energy: -183.233394
where:
bonds (distance) C4'-P energy: -36.989
bonds (distance) P-C4' energy: -36.154
flat angles C4'-P-C4' energy: -38.719
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: -42.683
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: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -586.518850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.518850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.518850 (E_RNA)
where:
Base-Base interactions energy: -394.493
where: short stacking energy: -157.914
Base-Backbone interact. energy: -0.495
local terms energy: -191.530421
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -37.681
flat angles C4'-P-C4' energy: -41.759
flat angles P-C4'-P energy: -31.897
tors. eta vs tors. theta energy: -45.025
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: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -465.537261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.537261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.537261 (E_RNA)
where:
Base-Base interactions energy: -285.877
where: short stacking energy: -125.022
Base-Backbone interact. energy: -0.456
local terms energy: -179.204403
where:
bonds (distance) C4'-P energy: -39.212
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -42.372
flat angles P-C4'-P energy: -36.235
tors. eta vs tors. theta energy: -27.453
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: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -423.751627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.751627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.751627 (E_RNA)
where:
Base-Base interactions energy: -261.746
where: short stacking energy: -115.772
Base-Backbone interact. energy: -1.183
local terms energy: -160.823141
where:
bonds (distance) C4'-P energy: -36.793
bonds (distance) P-C4' energy: -32.216
flat angles C4'-P-C4' energy: -41.767
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -22.122
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -391.400022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.400022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.400022 (E_RNA)
where:
Base-Base interactions energy: -229.036
where: short stacking energy: -99.905
Base-Backbone interact. energy: -1.328
local terms energy: -161.035571
where:
bonds (distance) C4'-P energy: -34.653
bonds (distance) P-C4' energy: -42.186
flat angles C4'-P-C4' energy: -35.252
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -20.418
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: 46
Temperature: 1.200000
Total energy: -352.612679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.612679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.612679 (E_RNA)
where:
Base-Base interactions energy: -207.465
where: short stacking energy: -110.271
Base-Backbone interact. energy: -0.274
local terms energy: -144.873736
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -33.795
flat angles C4'-P-C4' energy: -35.773
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -27.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -297.621478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.621478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.621478 (E_RNA)
where:
Base-Base interactions energy: -144.470
where: short stacking energy: -68.272
Base-Backbone interact. energy: -0.575
local terms energy: -152.577021
where:
bonds (distance) C4'-P energy: -37.837
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -39.133
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -190.712413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.712413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.712413 (E_RNA)
where:
Base-Base interactions energy: -74.703
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.817
local terms energy: -115.193166
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -37.056
flat angles C4'-P-C4' energy: -40.670
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -174.880303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.880303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.880303 (E_RNA)
where:
Base-Base interactions energy: -66.093
where: short stacking energy: -52.012
Base-Backbone interact. energy: 0.703
local terms energy: -109.491224
where:
bonds (distance) C4'-P energy: -32.409
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -29.974
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: 7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -653.172770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.172770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.172770 (E_RNA)
where:
Base-Base interactions energy: -434.654
where: short stacking energy: -197.904
Base-Backbone interact. energy: 0.371
local terms energy: -218.889513
where:
bonds (distance) C4'-P energy: -39.401
bonds (distance) P-C4' energy: -44.211
flat angles C4'-P-C4' energy: -45.185
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -63.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -596.933860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.933860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.933860 (E_RNA)
where:
Base-Base interactions energy: -401.576
where: short stacking energy: -172.561
Base-Backbone interact. energy: -1.374
local terms energy: -193.983106
where:
bonds (distance) C4'-P energy: -32.085
bonds (distance) P-C4' energy: -40.124
flat angles C4'-P-C4' energy: -43.521
flat angles P-C4'-P energy: -28.892
tors. eta vs tors. theta energy: -49.361
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: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -561.198922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.198922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.198922 (E_RNA)
where:
Base-Base interactions energy: -379.946
where: short stacking energy: -159.268
Base-Backbone interact. energy: -0.679
local terms energy: -180.573928
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -37.382
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -20.960
tors. eta vs tors. theta energy: -44.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -490.623514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.623514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.623514 (E_RNA)
where:
Base-Base interactions energy: -313.817
where: short stacking energy: -136.465
Base-Backbone interact. energy: 0.613
local terms energy: -177.419529
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -38.951
flat angles C4'-P-C4' energy: -40.365
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -36.140
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: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -415.818089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.818089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.818089 (E_RNA)
where:
Base-Base interactions energy: -261.668
where: short stacking energy: -119.709
Base-Backbone interact. energy: -0.784
local terms energy: -153.366053
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -36.964
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -27.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -399.344819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.344819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.344819 (E_RNA)
where:
Base-Base interactions energy: -239.077
where: short stacking energy: -101.935
Base-Backbone interact. energy: 1.265
local terms energy: -161.532544
where:
bonds (distance) C4'-P energy: -32.965
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -42.160
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -24.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -338.735186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.735186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.735186 (E_RNA)
where:
Base-Base interactions energy: -207.677
where: short stacking energy: -87.510
Base-Backbone interact. energy: -0.394
local terms energy: -130.663880
where:
bonds (distance) C4'-P energy: -31.499
bonds (distance) P-C4' energy: -33.300
flat angles C4'-P-C4' energy: -37.120
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -350.706005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.706005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.706005 (E_RNA)
where:
Base-Base interactions energy: -200.994
where: short stacking energy: -100.723
Base-Backbone interact. energy: -0.463
local terms energy: -149.248758
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -34.502
flat angles C4'-P-C4' energy: -35.760
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -170.705398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.705398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.705398 (E_RNA)
where:
Base-Base interactions energy: -58.267
where: short stacking energy: -38.738
Base-Backbone interact. energy: -0.421
local terms energy: -112.017402
where:
bonds (distance) C4'-P energy: -28.269
bonds (distance) P-C4' energy: -35.561
flat angles C4'-P-C4' energy: -34.676
flat angles P-C4'-P energy: -14.846
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: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -181.523277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.523277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.523277 (E_RNA)
where:
Base-Base interactions energy: -65.604
where: short stacking energy: -45.139
Base-Backbone interact. energy: 0.194
local terms energy: -116.113854
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -647.394489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.394489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.394489 (E_RNA)
where:
Base-Base interactions energy: -433.890
where: short stacking energy: -203.815
Base-Backbone interact. energy: -0.354
local terms energy: -213.150818
where:
bonds (distance) C4'-P energy: -40.410
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -42.875
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -63.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -603.007671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.007671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.007671 (E_RNA)
where:
Base-Base interactions energy: -390.891
where: short stacking energy: -166.557
Base-Backbone interact. energy: -1.765
local terms energy: -210.351895
where:
bonds (distance) C4'-P energy: -39.429
bonds (distance) P-C4' energy: -43.047
flat angles C4'-P-C4' energy: -47.413
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -44.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -563.017830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.017830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.017830 (E_RNA)
where:
Base-Base interactions energy: -369.682
where: short stacking energy: -162.033
Base-Backbone interact. energy: -0.534
local terms energy: -192.802484
where:
bonds (distance) C4'-P energy: -39.075
bonds (distance) P-C4' energy: -40.298
flat angles C4'-P-C4' energy: -42.896
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -45.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -506.004517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.004517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.004517 (E_RNA)
where:
Base-Base interactions energy: -326.375
where: short stacking energy: -157.546
Base-Backbone interact. energy: -0.784
local terms energy: -178.845699
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -38.168
flat angles C4'-P-C4' energy: -40.725
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -45.420
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: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -420.866078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.866078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.866078 (E_RNA)
where:
Base-Base interactions energy: -266.577
where: short stacking energy: -119.258
Base-Backbone interact. energy: 0.514
local terms energy: -154.803599
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -36.640
flat angles C4'-P-C4' energy: -35.615
flat angles P-C4'-P energy: -23.396
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -413.859865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.859865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.859865 (E_RNA)
where:
Base-Base interactions energy: -244.188
where: short stacking energy: -115.775
Base-Backbone interact. energy: -0.229
local terms energy: -169.443211
where:
bonds (distance) C4'-P energy: -38.986
bonds (distance) P-C4' energy: -40.288
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -28.508
tors. eta vs tors. theta energy: -30.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -399.295305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.295305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.295305 (E_RNA)
where:
Base-Base interactions energy: -241.324
where: short stacking energy: -118.768
Base-Backbone interact. energy: -0.263
local terms energy: -157.708483
where:
bonds (distance) C4'-P energy: -37.113
bonds (distance) P-C4' energy: -35.896
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -27.323
tors. eta vs tors. theta energy: -22.900
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -337.005680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.005680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.005680 (E_RNA)
where:
Base-Base interactions energy: -199.423
where: short stacking energy: -110.380
Base-Backbone interact. energy: -0.174
local terms energy: -137.408728
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -39.607
flat angles C4'-P-C4' energy: -31.763
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -17.666
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: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -180.989093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.989093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.989093 (E_RNA)
where:
Base-Base interactions energy: -52.583
where: short stacking energy: -46.585
Base-Backbone interact. energy: -0.712
local terms energy: -127.694317
where:
bonds (distance) C4'-P energy: -38.684
bonds (distance) P-C4' energy: -40.882
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -22.135
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -190.308186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.308186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.308186 (E_RNA)
where:
Base-Base interactions energy: -58.306
where: short stacking energy: -49.826
Base-Backbone interact. energy: -1.311
local terms energy: -130.691334
where:
bonds (distance) C4'-P energy: -40.330
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -34.233
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -2.184
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: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -639.122991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.122991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.122991 (E_RNA)
where:
Base-Base interactions energy: -425.782
where: short stacking energy: -187.490
Base-Backbone interact. energy: 0.514
local terms energy: -213.854558
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -44.186
flat angles C4'-P-C4' energy: -45.376
flat angles P-C4'-P energy: -27.109
tors. eta vs tors. theta energy: -64.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -623.094837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.094837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.094837 (E_RNA)
where:
Base-Base interactions energy: -412.862
where: short stacking energy: -173.326
Base-Backbone interact. energy: -2.004
local terms energy: -208.228683
where:
bonds (distance) C4'-P energy: -38.510
bonds (distance) P-C4' energy: -39.201
flat angles C4'-P-C4' energy: -45.002
flat angles P-C4'-P energy: -34.862
tors. eta vs tors. theta energy: -50.654
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: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -594.812219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.812219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.812219 (E_RNA)
where:
Base-Base interactions energy: -398.294
where: short stacking energy: -172.305
Base-Backbone interact. energy: -1.100
local terms energy: -195.418933
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -38.434
flat angles C4'-P-C4' energy: -40.797
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -50.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -476.992516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.992516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.992516 (E_RNA)
where:
Base-Base interactions energy: -305.696
where: short stacking energy: -147.928
Base-Backbone interact. energy: -0.296
local terms energy: -171.000604
where:
bonds (distance) C4'-P energy: -40.109
bonds (distance) P-C4' energy: -39.886
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -29.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -457.010006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.010006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.010006 (E_RNA)
where:
Base-Base interactions energy: -288.262
where: short stacking energy: -128.653
Base-Backbone interact. energy: -1.755
local terms energy: -166.993189
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -40.855
flat angles P-C4'-P energy: -27.925
tors. eta vs tors. theta energy: -35.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -415.604483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.604483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.604483 (E_RNA)
where:
Base-Base interactions energy: -249.218
where: short stacking energy: -98.644
Base-Backbone interact. energy: -0.481
local terms energy: -165.905149
where:
bonds (distance) C4'-P energy: -32.896
bonds (distance) P-C4' energy: -37.455
flat angles C4'-P-C4' energy: -40.707
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -399.598193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.598193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.598193 (E_RNA)
where:
Base-Base interactions energy: -249.485
where: short stacking energy: -118.128
Base-Backbone interact. energy: -0.295
local terms energy: -149.818866
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -38.939
flat angles P-C4'-P energy: -26.475
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: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -321.295023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.295023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.295023 (E_RNA)
where:
Base-Base interactions energy: -175.388
where: short stacking energy: -78.772
Base-Backbone interact. energy: -0.999
local terms energy: -144.908717
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -27.860
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -205.140023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.140023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.140023 (E_RNA)
where:
Base-Base interactions energy: -74.698
where: short stacking energy: -40.985
Base-Backbone interact. energy: -2.094
local terms energy: -128.347670
where:
bonds (distance) C4'-P energy: -35.553
bonds (distance) P-C4' energy: -39.509
flat angles C4'-P-C4' energy: -36.813
flat angles P-C4'-P energy: -22.669
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: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -214.041980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.041980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.041980 (E_RNA)
where:
Base-Base interactions energy: -87.190
where: short stacking energy: -36.024
Base-Backbone interact. energy: -0.047
local terms energy: -126.804801
where:
bonds (distance) C4'-P energy: -28.019
bonds (distance) P-C4' energy: -43.348
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: 2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -635.751704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.751704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.751704 (E_RNA)
where:
Base-Base interactions energy: -434.440
where: short stacking energy: -197.111
Base-Backbone interact. energy: -0.470
local terms energy: -200.841641
where:
bonds (distance) C4'-P energy: -31.210
bonds (distance) P-C4' energy: -37.657
flat angles C4'-P-C4' energy: -46.110
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -59.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -608.590764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.590764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.590764 (E_RNA)
where:
Base-Base interactions energy: -403.072
where: short stacking energy: -158.087
Base-Backbone interact. energy: 0.693
local terms energy: -206.211016
where:
bonds (distance) C4'-P energy: -38.996
bonds (distance) P-C4' energy: -39.572
flat angles C4'-P-C4' energy: -45.961
flat angles P-C4'-P energy: -31.773
tors. eta vs tors. theta energy: -49.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -596.048514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.048514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.048514 (E_RNA)
where:
Base-Base interactions energy: -411.583
where: short stacking energy: -159.347
Base-Backbone interact. energy: 0.003
local terms energy: -184.469034
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -42.615
flat angles P-C4'-P energy: -27.368
tors. eta vs tors. theta energy: -46.284
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: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -481.145020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.145020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.145020 (E_RNA)
where:
Base-Base interactions energy: -296.998
where: short stacking energy: -141.192
Base-Backbone interact. energy: -0.298
local terms energy: -183.849303
where:
bonds (distance) C4'-P energy: -35.537
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -41.220
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -40.995
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: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -471.556458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.556458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.556458 (E_RNA)
where:
Base-Base interactions energy: -308.630
where: short stacking energy: -142.972
Base-Backbone interact. energy: -1.149
local terms energy: -161.777175
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -42.703
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -36.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -427.764333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.764333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.764333 (E_RNA)
where:
Base-Base interactions energy: -279.851
where: short stacking energy: -139.456
Base-Backbone interact. energy: -0.190
local terms energy: -147.723027
where:
bonds (distance) C4'-P energy: -36.356
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -29.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -381.759646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.759646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.759646 (E_RNA)
where:
Base-Base interactions energy: -229.624
where: short stacking energy: -115.826
Base-Backbone interact. energy: -1.105
local terms energy: -151.031054
where:
bonds (distance) C4'-P energy: -36.389
bonds (distance) P-C4' energy: -28.594
flat angles C4'-P-C4' energy: -36.984
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -27.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -300.188431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.188431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.188431 (E_RNA)
where:
Base-Base interactions energy: -159.954
where: short stacking energy: -93.907
Base-Backbone interact. energy: -0.539
local terms energy: -139.695463
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -233.264588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.264588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.264588 (E_RNA)
where:
Base-Base interactions energy: -109.927
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.767
local terms energy: -122.569908
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -29.137
flat angles C4'-P-C4' energy: -34.742
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -180.044586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.044586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.044586 (E_RNA)
where:
Base-Base interactions energy: -81.910
where: short stacking energy: -63.149
Base-Backbone interact. energy: 3.923
local terms energy: -102.057408
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -643.505983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.505983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.505983 (E_RNA)
where:
Base-Base interactions energy: -429.381
where: short stacking energy: -181.132
Base-Backbone interact. energy: 0.389
local terms energy: -214.513762
where:
bonds (distance) C4'-P energy: -45.197
bonds (distance) P-C4' energy: -42.731
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -28.204
tors. eta vs tors. theta energy: -54.487
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: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -623.391498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.391498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.391498 (E_RNA)
where:
Base-Base interactions energy: -422.133
where: short stacking energy: -178.945
Base-Backbone interact. energy: -0.305
local terms energy: -200.953265
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -43.878
flat angles P-C4'-P energy: -28.543
tors. eta vs tors. theta energy: -46.290
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: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -578.456660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.456660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.456660 (E_RNA)
where:
Base-Base interactions energy: -392.139
where: short stacking energy: -156.248
Base-Backbone interact. energy: -1.206
local terms energy: -185.111733
where:
bonds (distance) C4'-P energy: -34.794
bonds (distance) P-C4' energy: -41.605
flat angles C4'-P-C4' energy: -39.389
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -37.779
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: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -492.176688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.176688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.176688 (E_RNA)
where:
Base-Base interactions energy: -325.787
where: short stacking energy: -144.706
Base-Backbone interact. energy: -0.257
local terms energy: -166.133052
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -36.311
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -37.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -474.178272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.178272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.178272 (E_RNA)
where:
Base-Base interactions energy: -300.316
where: short stacking energy: -124.893
Base-Backbone interact. energy: -1.789
local terms energy: -172.073759
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -41.658
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -43.570
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: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -443.169554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.169554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.169554 (E_RNA)
where:
Base-Base interactions energy: -268.476
where: short stacking energy: -133.381
Base-Backbone interact. energy: -0.329
local terms energy: -174.364546
where:
bonds (distance) C4'-P energy: -32.073
bonds (distance) P-C4' energy: -47.700
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -33.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -348.358782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.358782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.358782 (E_RNA)
where:
Base-Base interactions energy: -210.886
where: short stacking energy: -94.208
Base-Backbone interact. energy: 0.740
local terms energy: -138.212994
where:
bonds (distance) C4'-P energy: -34.751
bonds (distance) P-C4' energy: -38.210
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -24.228
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: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -305.641461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.641461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.641461 (E_RNA)
where:
Base-Base interactions energy: -160.030
where: short stacking energy: -96.156
Base-Backbone interact. energy: -0.134
local terms energy: -145.477083
where:
bonds (distance) C4'-P energy: -30.968
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -37.880
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -172.861014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.861014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.861014 (E_RNA)
where:
Base-Base interactions energy: -55.196
where: short stacking energy: -45.278
Base-Backbone interact. energy: 0.555
local terms energy: -118.220376
where:
bonds (distance) C4'-P energy: -36.423
bonds (distance) P-C4' energy: -30.518
flat angles C4'-P-C4' energy: -39.517
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: 7.299
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: 51
Temperature: 1.350000
Total energy: -181.326998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.326998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.326998 (E_RNA)
where:
Base-Base interactions energy: -74.097
where: short stacking energy: -43.368
Base-Backbone interact. energy: 3.221
local terms energy: -110.451713
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -27.833
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -21.371
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: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -639.859444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.859444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.859444 (E_RNA)
where:
Base-Base interactions energy: -426.388
where: short stacking energy: -182.272
Base-Backbone interact. energy: -1.308
local terms energy: -212.162729
where:
bonds (distance) C4'-P energy: -37.763
bonds (distance) P-C4' energy: -43.755
flat angles C4'-P-C4' energy: -46.756
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: -52.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -620.138851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.138851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.138851 (E_RNA)
where:
Base-Base interactions energy: -407.430
where: short stacking energy: -185.946
Base-Backbone interact. energy: -0.300
local terms energy: -212.408390
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -39.333
flat angles C4'-P-C4' energy: -43.452
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -57.813
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: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -595.521822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.521822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.521822 (E_RNA)
where:
Base-Base interactions energy: -404.269
where: short stacking energy: -170.249
Base-Backbone interact. energy: -1.515
local terms energy: -189.737593
where:
bonds (distance) C4'-P energy: -34.299
bonds (distance) P-C4' energy: -40.208
flat angles C4'-P-C4' energy: -41.186
flat angles P-C4'-P energy: -29.566
tors. eta vs tors. theta energy: -44.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -488.378013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.378013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.378013 (E_RNA)
where:
Base-Base interactions energy: -311.707
where: short stacking energy: -150.869
Base-Backbone interact. energy: -0.954
local terms energy: -175.716809
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -41.791
flat angles C4'-P-C4' energy: -34.242
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: -39.369
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: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -462.162119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.162119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.162119 (E_RNA)
where:
Base-Base interactions energy: -280.971
where: short stacking energy: -129.812
Base-Backbone interact. energy: -0.121
local terms energy: -181.070366
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -43.098
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -28.205
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -453.244341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.244341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.244341 (E_RNA)
where:
Base-Base interactions energy: -287.639
where: short stacking energy: -120.325
Base-Backbone interact. energy: 1.746
local terms energy: -167.351591
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -35.818
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -42.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -294.669305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.669305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.669305 (E_RNA)
where:
Base-Base interactions energy: -150.377
where: short stacking energy: -87.092
Base-Backbone interact. energy: 3.341
local terms energy: -147.633190
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -38.497
flat angles C4'-P-C4' energy: -32.376
flat angles P-C4'-P energy: -29.337
tors. eta vs tors. theta energy: -13.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -315.688309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.688309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.688309 (E_RNA)
where:
Base-Base interactions energy: -172.015
where: short stacking energy: -80.523
Base-Backbone interact. energy: -0.649
local terms energy: -143.025014
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -33.870
flat angles C4'-P-C4' energy: -35.611
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -19.833
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: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -185.474872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.474872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.474872 (E_RNA)
where:
Base-Base interactions energy: -90.816
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.713
local terms energy: -93.946001
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: 5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -172.621756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.621756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.621756 (E_RNA)
where:
Base-Base interactions energy: -38.869
where: short stacking energy: -24.560
Base-Backbone interact. energy: -1.471
local terms energy: -132.281817
where:
bonds (distance) C4'-P energy: -38.434
bonds (distance) P-C4' energy: -45.110
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: 11.548
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: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -630.305562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.305562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.305562 (E_RNA)
where:
Base-Base interactions energy: -422.511
where: short stacking energy: -187.032
Base-Backbone interact. energy: -0.398
local terms energy: -207.396500
where:
bonds (distance) C4'-P energy: -43.701
bonds (distance) P-C4' energy: -42.186
flat angles C4'-P-C4' energy: -47.783
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: -51.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -626.296037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.296037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.296037 (E_RNA)
where:
Base-Base interactions energy: -421.657
where: short stacking energy: -186.469
Base-Backbone interact. energy: -0.298
local terms energy: -204.341589
where:
bonds (distance) C4'-P energy: -35.278
bonds (distance) P-C4' energy: -43.836
flat angles C4'-P-C4' energy: -38.557
flat angles P-C4'-P energy: -33.915
tors. eta vs tors. theta energy: -52.756
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: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -564.526254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.526254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.526254 (E_RNA)
where:
Base-Base interactions energy: -377.669
where: short stacking energy: -159.121
Base-Backbone interact. energy: -1.961
local terms energy: -184.895626
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -481.844478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.844478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.844478 (E_RNA)
where:
Base-Base interactions energy: -291.902
where: short stacking energy: -136.715
Base-Backbone interact. energy: -0.565
local terms energy: -189.377485
where:
bonds (distance) C4'-P energy: -44.352
bonds (distance) P-C4' energy: -36.693
flat angles C4'-P-C4' energy: -42.573
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -34.713
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: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -450.240557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.240557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.240557 (E_RNA)
where:
Base-Base interactions energy: -261.985
where: short stacking energy: -121.325
Base-Backbone interact. energy: -1.462
local terms energy: -186.793836
where:
bonds (distance) C4'-P energy: -36.254
bonds (distance) P-C4' energy: -38.202
flat angles C4'-P-C4' energy: -44.775
flat angles P-C4'-P energy: -29.533
tors. eta vs tors. theta energy: -38.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -419.947094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.947094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.947094 (E_RNA)
where:
Base-Base interactions energy: -265.776
where: short stacking energy: -138.975
Base-Backbone interact. energy: -0.998
local terms energy: -153.172754
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -33.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -300.267384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.267384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.267384 (E_RNA)
where:
Base-Base interactions energy: -165.138
where: short stacking energy: -93.508
Base-Backbone interact. energy: -0.016
local terms energy: -135.112976
where:
bonds (distance) C4'-P energy: -36.252
bonds (distance) P-C4' energy: -32.342
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -281.246830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.246830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.246830 (E_RNA)
where:
Base-Base interactions energy: -157.611
where: short stacking energy: -54.363
Base-Backbone interact. energy: -0.537
local terms energy: -123.098470
where:
bonds (distance) C4'-P energy: -36.435
bonds (distance) P-C4' energy: -28.952
flat angles C4'-P-C4' energy: -33.138
flat angles P-C4'-P energy: -27.365
tors. eta vs tors. theta energy: 2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -187.257922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.257922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.257922 (E_RNA)
where:
Base-Base interactions energy: -65.381
where: short stacking energy: -50.414
Base-Backbone interact. energy: -1.732
local terms energy: -120.145585
where:
bonds (distance) C4'-P energy: -39.235
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -21.468
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -169.909182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.909182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.909182 (E_RNA)
where:
Base-Base interactions energy: -70.692
where: short stacking energy: -50.016
Base-Backbone interact. energy: -0.758
local terms energy: -98.459232
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -30.572
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -641.046875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.046875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.046875 (E_RNA)
where:
Base-Base interactions energy: -434.380
where: short stacking energy: -178.824
Base-Backbone interact. energy: -1.281
local terms energy: -205.385756
where:
bonds (distance) C4'-P energy: -43.143
bonds (distance) P-C4' energy: -36.305
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: -58.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -619.552672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.552672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.552672 (E_RNA)
where:
Base-Base interactions energy: -424.021
where: short stacking energy: -181.222
Base-Backbone interact. energy: -2.008
local terms energy: -193.523307
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -41.033
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -26.645
tors. eta vs tors. theta energy: -48.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -566.689109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.689109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.689109 (E_RNA)
where:
Base-Base interactions energy: -375.646
where: short stacking energy: -156.889
Base-Backbone interact. energy: -0.949
local terms energy: -190.094030
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -40.613
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -28.130
tors. eta vs tors. theta energy: -43.202
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: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -477.855634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.855634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.855634 (E_RNA)
where:
Base-Base interactions energy: -323.465
where: short stacking energy: -130.986
Base-Backbone interact. energy: -1.344
local terms energy: -153.046199
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -32.560
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: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -469.519532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.519532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.519532 (E_RNA)
where:
Base-Base interactions energy: -298.296
where: short stacking energy: -137.915
Base-Backbone interact. energy: 1.605
local terms energy: -172.828846
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -36.444
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: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -438.586139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.586139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.586139 (E_RNA)
where:
Base-Base interactions energy: -277.026
where: short stacking energy: -143.206
Base-Backbone interact. energy: -1.000
local terms energy: -160.561014
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -33.398
flat angles C4'-P-C4' energy: -46.272
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -31.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -305.335392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.335392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.335392 (E_RNA)
where:
Base-Base interactions energy: -165.882
where: short stacking energy: -85.920
Base-Backbone interact. energy: -0.928
local terms energy: -138.525876
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -43.659
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -295.548033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.548033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.548033 (E_RNA)
where:
Base-Base interactions energy: -156.943
where: short stacking energy: -85.491
Base-Backbone interact. energy: -0.277
local terms energy: -138.328492
where:
bonds (distance) C4'-P energy: -36.010
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -35.890
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -181.185745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.185745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.185745 (E_RNA)
where:
Base-Base interactions energy: -76.620
where: short stacking energy: -59.809
Base-Backbone interact. energy: 1.578
local terms energy: -106.143777
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -26.101
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -173.933194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.933194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.933194 (E_RNA)
where:
Base-Base interactions energy: -57.975
where: short stacking energy: -48.855
Base-Backbone interact. energy: -0.669
local terms energy: -115.288625
where:
bonds (distance) C4'-P energy: -30.648
bonds (distance) P-C4' energy: -34.433
flat angles C4'-P-C4' energy: -37.013
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -648.943909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.943909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.943909 (E_RNA)
where:
Base-Base interactions energy: -442.388
where: short stacking energy: -193.639
Base-Backbone interact. energy: -0.358
local terms energy: -206.198173
where:
bonds (distance) C4'-P energy: -33.908
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -44.496
flat angles P-C4'-P energy: -28.671
tors. eta vs tors. theta energy: -57.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -617.341914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.341914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.341914 (E_RNA)
where:
Base-Base interactions energy: -422.240
where: short stacking energy: -177.462
Base-Backbone interact. energy: -1.016
local terms energy: -194.086078
where:
bonds (distance) C4'-P energy: -37.383
bonds (distance) P-C4' energy: -36.311
flat angles C4'-P-C4' energy: -40.315
flat angles P-C4'-P energy: -30.528
tors. eta vs tors. theta energy: -49.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -602.840368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.840368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.840368 (E_RNA)
where:
Base-Base interactions energy: -391.509
where: short stacking energy: -176.573
Base-Backbone interact. energy: -2.016
local terms energy: -209.315545
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -38.466
flat angles C4'-P-C4' energy: -45.882
flat angles P-C4'-P energy: -30.417
tors. eta vs tors. theta energy: -55.147
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: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -503.298464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.298464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.298464 (E_RNA)
where:
Base-Base interactions energy: -314.839
where: short stacking energy: -142.623
Base-Backbone interact. energy: -0.544
local terms energy: -187.915569
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -41.289
flat angles C4'-P-C4' energy: -44.202
flat angles P-C4'-P energy: -29.798
tors. eta vs tors. theta energy: -41.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -459.787573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.787573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.787573 (E_RNA)
where:
Base-Base interactions energy: -287.934
where: short stacking energy: -137.053
Base-Backbone interact. energy: -1.035
local terms energy: -170.819164
where:
bonds (distance) C4'-P energy: -31.077
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -41.315
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -34.713
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: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -456.330768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.330768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.330768 (E_RNA)
where:
Base-Base interactions energy: -299.963
where: short stacking energy: -129.808
Base-Backbone interact. energy: -0.575
local terms energy: -155.792438
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -35.952
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -25.564
tors. eta vs tors. theta energy: -31.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -370.999042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.999042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.999042 (E_RNA)
where:
Base-Base interactions energy: -223.676
where: short stacking energy: -115.379
Base-Backbone interact. energy: 1.069
local terms energy: -148.391637
where:
bonds (distance) C4'-P energy: -32.071
bonds (distance) P-C4' energy: -36.680
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -29.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -317.543475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.543475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.543475 (E_RNA)
where:
Base-Base interactions energy: -168.145
where: short stacking energy: -93.196
Base-Backbone interact. energy: 0.023
local terms energy: -149.420949
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -31.407
flat angles P-C4'-P energy: -31.833
tors. eta vs tors. theta energy: -15.424
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: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -207.054310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.054310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.054310 (E_RNA)
where:
Base-Base interactions energy: -79.633
where: short stacking energy: -57.226
Base-Backbone interact. energy: 0.464
local terms energy: -127.886179
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -35.230
flat angles C4'-P-C4' energy: -36.600
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -161.405250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.405250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.405250 (E_RNA)
where:
Base-Base interactions energy: -55.047
where: short stacking energy: -35.173
Base-Backbone interact. energy: -1.850
local terms energy: -104.507955
where:
bonds (distance) C4'-P energy: -37.528
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -29.172
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: 9.920
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: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -643.758632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.758632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.758632 (E_RNA)
where:
Base-Base interactions energy: -434.411
where: short stacking energy: -195.272
Base-Backbone interact. energy: -0.033
local terms energy: -209.315209
where:
bonds (distance) C4'-P energy: -39.061
bonds (distance) P-C4' energy: -39.517
flat angles C4'-P-C4' energy: -47.334
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -60.843
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: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -622.637984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.637984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.637984 (E_RNA)
where:
Base-Base interactions energy: -421.490
where: short stacking energy: -162.855
Base-Backbone interact. energy: -0.371
local terms energy: -200.776532
where:
bonds (distance) C4'-P energy: -44.624
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -44.247
flat angles P-C4'-P energy: -30.914
tors. eta vs tors. theta energy: -49.432
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: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -593.511665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.511665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.511665 (E_RNA)
where:
Base-Base interactions energy: -404.218
where: short stacking energy: -172.417
Base-Backbone interact. energy: -1.083
local terms energy: -188.210848
where:
bonds (distance) C4'-P energy: -36.819
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -43.058
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -48.072
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: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -489.892730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.892730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.892730 (E_RNA)
where:
Base-Base interactions energy: -311.089
where: short stacking energy: -144.184
Base-Backbone interact. energy: -0.595
local terms energy: -178.209305
where:
bonds (distance) C4'-P energy: -41.383
bonds (distance) P-C4' energy: -37.690
flat angles C4'-P-C4' energy: -45.748
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -40.939
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: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -459.461467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.461467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.461467 (E_RNA)
where:
Base-Base interactions energy: -300.205
where: short stacking energy: -129.447
Base-Backbone interact. energy: -0.788
local terms energy: -158.468336
where:
bonds (distance) C4'-P energy: -35.195
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -35.984
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: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -461.737557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.737557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.737557 (E_RNA)
where:
Base-Base interactions energy: -280.209
where: short stacking energy: -136.117
Base-Backbone interact. energy: 1.383
local terms energy: -182.910947
where:
bonds (distance) C4'-P energy: -44.451
bonds (distance) P-C4' energy: -46.072
flat angles C4'-P-C4' energy: -35.318
flat angles P-C4'-P energy: -24.605
tors. eta vs tors. theta energy: -32.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -340.450495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.450495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.450495 (E_RNA)
where:
Base-Base interactions energy: -197.490
where: short stacking energy: -98.794
Base-Backbone interact. energy: 1.518
local terms energy: -144.478777
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -30.186
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -358.844917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.844917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.844917 (E_RNA)
where:
Base-Base interactions energy: -209.769
where: short stacking energy: -107.152
Base-Backbone interact. energy: -1.069
local terms energy: -148.006325
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -25.781
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -180.551683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.551683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.551683 (E_RNA)
where:
Base-Base interactions energy: -56.633
where: short stacking energy: -53.727
Base-Backbone interact. energy: -0.548
local terms energy: -123.370770
where:
bonds (distance) C4'-P energy: -38.272
bonds (distance) P-C4' energy: -34.317
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -175.104181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.104181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.104181 (E_RNA)
where:
Base-Base interactions energy: -66.390
where: short stacking energy: -55.038
Base-Backbone interact. energy: -0.896
local terms energy: -107.818280
where:
bonds (distance) C4'-P energy: -31.710
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -26.345
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -3.854
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: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -655.277837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.277837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.277837 (E_RNA)
where:
Base-Base interactions energy: -436.416
where: short stacking energy: -199.422
Base-Backbone interact. energy: -0.506
local terms energy: -218.355591
where:
bonds (distance) C4'-P energy: -39.227
bonds (distance) P-C4' energy: -39.946
flat angles C4'-P-C4' energy: -47.714
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: -59.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -635.786294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.786294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.786294 (E_RNA)
where:
Base-Base interactions energy: -424.461
where: short stacking energy: -175.087
Base-Backbone interact. energy: -1.236
local terms energy: -210.089549
where:
bonds (distance) C4'-P energy: -36.771
bonds (distance) P-C4' energy: -41.638
flat angles C4'-P-C4' energy: -45.367
flat angles P-C4'-P energy: -31.265
tors. eta vs tors. theta energy: -55.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -610.680684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.680684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.680684 (E_RNA)
where:
Base-Base interactions energy: -413.407
where: short stacking energy: -179.749
Base-Backbone interact. energy: 0.458
local terms energy: -197.731413
where:
bonds (distance) C4'-P energy: -39.554
bonds (distance) P-C4' energy: -37.801
flat angles C4'-P-C4' energy: -46.012
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -46.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -498.486744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.486744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.486744 (E_RNA)
where:
Base-Base interactions energy: -310.213
where: short stacking energy: -144.447
Base-Backbone interact. energy: -1.233
local terms energy: -187.041109
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -40.138
flat angles C4'-P-C4' energy: -35.004
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -42.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -482.147129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.147129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.147129 (E_RNA)
where:
Base-Base interactions energy: -303.322
where: short stacking energy: -135.579
Base-Backbone interact. energy: -1.444
local terms energy: -177.381241
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -36.263
flat angles C4'-P-C4' energy: -46.106
flat angles P-C4'-P energy: -26.305
tors. eta vs tors. theta energy: -40.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -449.542623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.542623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.542623 (E_RNA)
where:
Base-Base interactions energy: -281.335
where: short stacking energy: -139.243
Base-Backbone interact. energy: -0.229
local terms energy: -167.978369
where:
bonds (distance) C4'-P energy: -32.729
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -32.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -342.795968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.795968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.795968 (E_RNA)
where:
Base-Base interactions energy: -197.493
where: short stacking energy: -96.713
Base-Backbone interact. energy: -2.723
local terms energy: -142.579574
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -35.030
flat angles C4'-P-C4' energy: -37.096
flat angles P-C4'-P energy: -23.976
tors. eta vs tors. theta energy: -8.634
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: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -345.286157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.286157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.286157 (E_RNA)
where:
Base-Base interactions energy: -198.740
where: short stacking energy: -93.069
Base-Backbone interact. energy: -1.023
local terms energy: -145.522891
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -34.749
flat angles C4'-P-C4' energy: -36.133
flat angles P-C4'-P energy: -21.430
tors. eta vs tors. theta energy: -20.114
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: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -188.358451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.358451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.358451 (E_RNA)
where:
Base-Base interactions energy: -68.075
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.546
local terms energy: -119.737383
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -44.167
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -5.364
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: 57
Temperature: 1.350000
Total energy: -163.415884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.415884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.415884 (E_RNA)
where:
Base-Base interactions energy: -54.651
where: short stacking energy: -53.791
Base-Backbone interact. energy: 2.566
local terms energy: -111.330123
where:
bonds (distance) C4'-P energy: -36.653
bonds (distance) P-C4' energy: -30.370
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -636.080354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.080354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.080354 (E_RNA)
where:
Base-Base interactions energy: -432.858
where: short stacking energy: -174.972
Base-Backbone interact. energy: 1.672
local terms energy: -204.894089
where:
bonds (distance) C4'-P energy: -39.016
bonds (distance) P-C4' energy: -45.649
flat angles C4'-P-C4' energy: -46.416
flat angles P-C4'-P energy: -30.888
tors. eta vs tors. theta energy: -42.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -650.910550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.910550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.910550 (E_RNA)
where:
Base-Base interactions energy: -446.408
where: short stacking energy: -185.889
Base-Backbone interact. energy: -0.315
local terms energy: -204.187919
where:
bonds (distance) C4'-P energy: -38.576
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -34.291
tors. eta vs tors. theta energy: -59.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -588.702603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.702603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.702603 (E_RNA)
where:
Base-Base interactions energy: -389.094
where: short stacking energy: -166.434
Base-Backbone interact. energy: -1.025
local terms energy: -198.583487
where:
bonds (distance) C4'-P energy: -30.837
bonds (distance) P-C4' energy: -45.617
flat angles C4'-P-C4' energy: -45.711
flat angles P-C4'-P energy: -32.468
tors. eta vs tors. theta energy: -43.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -508.997084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.997084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.997084 (E_RNA)
where:
Base-Base interactions energy: -322.863
where: short stacking energy: -152.935
Base-Backbone interact. energy: -2.148
local terms energy: -183.985897
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -38.611
flat angles P-C4'-P energy: -27.475
tors. eta vs tors. theta energy: -43.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -473.309783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.309783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.309783 (E_RNA)
where:
Base-Base interactions energy: -301.464
where: short stacking energy: -133.155
Base-Backbone interact. energy: -1.253
local terms energy: -170.593209
where:
bonds (distance) C4'-P energy: -38.799
bonds (distance) P-C4' energy: -34.856
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -35.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -436.004134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.004134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.004134 (E_RNA)
where:
Base-Base interactions energy: -268.070
where: short stacking energy: -127.824
Base-Backbone interact. energy: -0.615
local terms energy: -167.319436
where:
bonds (distance) C4'-P energy: -33.794
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -41.451
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -32.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -356.087748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.087748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.087748 (E_RNA)
where:
Base-Base interactions energy: -214.603
where: short stacking energy: -120.624
Base-Backbone interact. energy: -0.998
local terms energy: -140.486968
where:
bonds (distance) C4'-P energy: -36.118
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -30.004
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -31.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -291.944758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.944758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.944758 (E_RNA)
where:
Base-Base interactions energy: -155.282
where: short stacking energy: -89.513
Base-Backbone interact. energy: 1.778
local terms energy: -138.440837
where:
bonds (distance) C4'-P energy: -28.403
bonds (distance) P-C4' energy: -34.322
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -22.193
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -182.204985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.204985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.204985 (E_RNA)
where:
Base-Base interactions energy: -68.427
where: short stacking energy: -59.207
Base-Backbone interact. energy: 0.531
local terms energy: -114.308654
where:
bonds (distance) C4'-P energy: -29.668
bonds (distance) P-C4' energy: -39.100
flat angles C4'-P-C4' energy: -32.247
flat angles P-C4'-P energy: -13.721
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: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -170.651379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.651379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.651379 (E_RNA)
where:
Base-Base interactions energy: -43.327
where: short stacking energy: -35.599
Base-Backbone interact. energy: 0.668
local terms energy: -127.992612
where:
bonds (distance) C4'-P energy: -36.443
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -29.339
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: 6.540
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: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -670.180771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.180771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.180771 (E_RNA)
where:
Base-Base interactions energy: -457.214
where: short stacking energy: -191.772
Base-Backbone interact. energy: -0.758
local terms energy: -212.208583
where:
bonds (distance) C4'-P energy: -41.959
bonds (distance) P-C4' energy: -47.655
flat angles C4'-P-C4' energy: -43.402
flat angles P-C4'-P energy: -24.650
tors. eta vs tors. theta energy: -54.543
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: 59
Temperature: 0.950000
Total energy: -634.836140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.836140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.836140 (E_RNA)
where:
Base-Base interactions energy: -430.060
where: short stacking energy: -197.200
Base-Backbone interact. energy: -0.127
local terms energy: -204.648746
where:
bonds (distance) C4'-P energy: -32.096
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -47.713
flat angles P-C4'-P energy: -27.681
tors. eta vs tors. theta energy: -58.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -592.321435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.321435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.321435 (E_RNA)
where:
Base-Base interactions energy: -395.746
where: short stacking energy: -171.040
Base-Backbone interact. energy: -1.150
local terms energy: -195.425160
where:
bonds (distance) C4'-P energy: -38.475
bonds (distance) P-C4' energy: -38.677
flat angles C4'-P-C4' energy: -39.473
flat angles P-C4'-P energy: -26.308
tors. eta vs tors. theta energy: -52.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -511.953436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.953436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.953436 (E_RNA)
where:
Base-Base interactions energy: -338.844
where: short stacking energy: -149.414
Base-Backbone interact. energy: -0.938
local terms energy: -172.171272
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -42.005
flat angles P-C4'-P energy: -25.506
tors. eta vs tors. theta energy: -39.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -476.603878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.603878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.603878 (E_RNA)
where:
Base-Base interactions energy: -294.283
where: short stacking energy: -133.358
Base-Backbone interact. energy: -1.474
local terms energy: -180.847114
where:
bonds (distance) C4'-P energy: -35.884
bonds (distance) P-C4' energy: -38.797
flat angles C4'-P-C4' energy: -40.812
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -38.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -440.471561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.471561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.471561 (E_RNA)
where:
Base-Base interactions energy: -294.059
where: short stacking energy: -141.783
Base-Backbone interact. energy: 0.089
local terms energy: -146.502460
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -28.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -377.718723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.718723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.718723 (E_RNA)
where:
Base-Base interactions energy: -221.134
where: short stacking energy: -115.158
Base-Backbone interact. energy: -1.187
local terms energy: -155.397451
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -30.969
flat angles C4'-P-C4' energy: -37.033
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -28.364
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: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -290.667104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.667104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.667104 (E_RNA)
where:
Base-Base interactions energy: -158.396
where: short stacking energy: -84.850
Base-Backbone interact. energy: -0.974
local terms energy: -131.297678
where:
bonds (distance) C4'-P energy: -33.778
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -179.423746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.423746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.423746 (E_RNA)
where:
Base-Base interactions energy: -54.251
where: short stacking energy: -43.041
Base-Backbone interact. energy: 0.382
local terms energy: -125.554436
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -41.524
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -179.760940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.760940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.760940 (E_RNA)
where:
Base-Base interactions energy: -54.918
where: short stacking energy: -52.193
Base-Backbone interact. energy: -0.905
local terms energy: -123.937881
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -41.398
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -648.884793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.884793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.884793 (E_RNA)
where:
Base-Base interactions energy: -439.101
where: short stacking energy: -189.070
Base-Backbone interact. energy: 2.994
local terms energy: -212.777632
where:
bonds (distance) C4'-P energy: -41.556
bonds (distance) P-C4' energy: -46.621
flat angles C4'-P-C4' energy: -47.270
flat angles P-C4'-P energy: -25.314
tors. eta vs tors. theta energy: -52.017
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: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -613.864528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.864528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.864528 (E_RNA)
where:
Base-Base interactions energy: -414.390
where: short stacking energy: -184.267
Base-Backbone interact. energy: -1.737
local terms energy: -197.737133
where:
bonds (distance) C4'-P energy: -28.375
bonds (distance) P-C4' energy: -39.901
flat angles C4'-P-C4' energy: -44.973
flat angles P-C4'-P energy: -28.678
tors. eta vs tors. theta energy: -55.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -583.334489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.334489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.334489 (E_RNA)
where:
Base-Base interactions energy: -379.625
where: short stacking energy: -163.843
Base-Backbone interact. energy: 1.509
local terms energy: -205.218779
where:
bonds (distance) C4'-P energy: -40.016
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -43.116
flat angles P-C4'-P energy: -30.140
tors. eta vs tors. theta energy: -42.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -533.526357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.526357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.526357 (E_RNA)
where:
Base-Base interactions energy: -354.469
where: short stacking energy: -164.691
Base-Backbone interact. energy: -0.640
local terms energy: -178.417359
where:
bonds (distance) C4'-P energy: -37.601
bonds (distance) P-C4' energy: -35.088
flat angles C4'-P-C4' energy: -39.156
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -46.930
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: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -481.844098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.844098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.844098 (E_RNA)
where:
Base-Base interactions energy: -306.834
where: short stacking energy: -134.782
Base-Backbone interact. energy: -1.376
local terms energy: -173.634254
where:
bonds (distance) C4'-P energy: -37.942
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -40.891
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -36.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -449.029129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.029129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.029129 (E_RNA)
where:
Base-Base interactions energy: -287.666
where: short stacking energy: -128.787
Base-Backbone interact. energy: 0.033
local terms energy: -161.396605
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -34.725
flat angles C4'-P-C4' energy: -38.605
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -30.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -379.525896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.525896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.525896 (E_RNA)
where:
Base-Base interactions energy: -206.650
where: short stacking energy: -99.369
Base-Backbone interact. energy: -1.108
local terms energy: -171.768163
where:
bonds (distance) C4'-P energy: -38.444
bonds (distance) P-C4' energy: -38.146
flat angles C4'-P-C4' energy: -42.325
flat angles P-C4'-P energy: -27.321
tors. eta vs tors. theta energy: -25.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -309.014220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.014220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.014220 (E_RNA)
where:
Base-Base interactions energy: -173.987
where: short stacking energy: -90.994
Base-Backbone interact. energy: -0.596
local terms energy: -134.431284
where:
bonds (distance) C4'-P energy: -37.839
bonds (distance) P-C4' energy: -39.303
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: -16.685
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: -181.193552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.193552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.193552 (E_RNA)
where:
Base-Base interactions energy: -70.077
where: short stacking energy: -43.357
Base-Backbone interact. energy: 3.114
local terms energy: -114.230335
where:
bonds (distance) C4'-P energy: -37.482
bonds (distance) P-C4' energy: -34.294
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: 3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -177.044347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.044347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.044347 (E_RNA)
where:
Base-Base interactions energy: -63.250
where: short stacking energy: -32.103
Base-Backbone interact. energy: -1.003
local terms energy: -112.791339
where:
bonds (distance) C4'-P energy: -33.312
bonds (distance) P-C4' energy: -35.858
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -653.453586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.453586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.453586 (E_RNA)
where:
Base-Base interactions energy: -440.819
where: short stacking energy: -190.931
Base-Backbone interact. energy: -0.495
local terms energy: -212.139296
where:
bonds (distance) C4'-P energy: -40.569
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -48.186
flat angles P-C4'-P energy: -33.079
tors. eta vs tors. theta energy: -52.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -593.795547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.795547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.795547 (E_RNA)
where:
Base-Base interactions energy: -397.218
where: short stacking energy: -173.096
Base-Backbone interact. energy: 0.786
local terms energy: -197.363533
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -42.780
flat angles C4'-P-C4' energy: -43.650
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -49.827
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: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -611.566641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.566641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.566641 (E_RNA)
where:
Base-Base interactions energy: -411.417
where: short stacking energy: -168.451
Base-Backbone interact. energy: -0.199
local terms energy: -199.950278
where:
bonds (distance) C4'-P energy: -35.403
bonds (distance) P-C4' energy: -39.246
flat angles C4'-P-C4' energy: -45.120
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -56.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -551.881483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.881483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.881483 (E_RNA)
where:
Base-Base interactions energy: -365.240
where: short stacking energy: -159.481
Base-Backbone interact. energy: -1.182
local terms energy: -185.459377
where:
bonds (distance) C4'-P energy: -38.472
bonds (distance) P-C4' energy: -40.887
flat angles C4'-P-C4' energy: -43.702
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -39.304
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: 61
Temperature: 1.100000
Total energy: -446.338970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.338970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.338970 (E_RNA)
where:
Base-Base interactions energy: -293.599
where: short stacking energy: -129.837
Base-Backbone interact. energy: -1.420
local terms energy: -151.320075
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -36.266
flat angles C4'-P-C4' energy: -34.591
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -29.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -423.988790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.988790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.988790 (E_RNA)
where:
Base-Base interactions energy: -268.347
where: short stacking energy: -119.146
Base-Backbone interact. energy: -0.807
local terms energy: -154.834604
where:
bonds (distance) C4'-P energy: -26.509
bonds (distance) P-C4' energy: -37.366
flat angles C4'-P-C4' energy: -34.277
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -32.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -387.642970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.642970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.642970 (E_RNA)
where:
Base-Base interactions energy: -245.684
where: short stacking energy: -114.929
Base-Backbone interact. energy: -0.436
local terms energy: -141.522717
where:
bonds (distance) C4'-P energy: -31.002
bonds (distance) P-C4' energy: -32.206
flat angles C4'-P-C4' energy: -32.715
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -294.766809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.766809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.766809 (E_RNA)
where:
Base-Base interactions energy: -154.037
where: short stacking energy: -94.266
Base-Backbone interact. energy: -0.350
local terms energy: -140.379276
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -19.494
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: 61
Temperature: 1.300000
Total energy: -181.816450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.816450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.816450 (E_RNA)
where:
Base-Base interactions energy: -69.527
where: short stacking energy: -51.279
Base-Backbone interact. energy: 1.755
local terms energy: -114.043648
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -29.680
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -26.636
tors. eta vs tors. theta energy: 3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -184.648671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.648671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.648671 (E_RNA)
where:
Base-Base interactions energy: -79.108
where: short stacking energy: -59.553
Base-Backbone interact. energy: 2.663
local terms energy: -108.203593
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -33.717
flat angles P-C4'-P energy: -16.574
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: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -645.892855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.892855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.892855 (E_RNA)
where:
Base-Base interactions energy: -432.227
where: short stacking energy: -193.625
Base-Backbone interact. energy: -0.360
local terms energy: -213.305644
where:
bonds (distance) C4'-P energy: -40.696
bonds (distance) P-C4' energy: -44.149
flat angles C4'-P-C4' energy: -41.991
flat angles P-C4'-P energy: -32.809
tors. eta vs tors. theta energy: -53.661
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: 62
Temperature: 0.950000
Total energy: -589.596640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.596640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.596640 (E_RNA)
where:
Base-Base interactions energy: -400.165
where: short stacking energy: -165.940
Base-Backbone interact. energy: 0.155
local terms energy: -189.586346
where:
bonds (distance) C4'-P energy: -32.760
bonds (distance) P-C4' energy: -36.236
flat angles C4'-P-C4' energy: -42.945
flat angles P-C4'-P energy: -32.834
tors. eta vs tors. theta energy: -44.812
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: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -608.666294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.666294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.666294 (E_RNA)
where:
Base-Base interactions energy: -417.110
where: short stacking energy: -170.341
Base-Backbone interact. energy: -0.422
local terms energy: -191.134101
where:
bonds (distance) C4'-P energy: -33.924
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -42.021
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -55.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -534.584507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.584507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.584507 (E_RNA)
where:
Base-Base interactions energy: -357.044
where: short stacking energy: -160.592
Base-Backbone interact. energy: 0.198
local terms energy: -177.738653
where:
bonds (distance) C4'-P energy: -25.908
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -43.695
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: -40.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -474.319295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.319295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.319295 (E_RNA)
where:
Base-Base interactions energy: -299.239
where: short stacking energy: -128.616
Base-Backbone interact. energy: -0.899
local terms energy: -174.180682
where:
bonds (distance) C4'-P energy: -33.707
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -40.345
flat angles P-C4'-P energy: -29.309
tors. eta vs tors. theta energy: -40.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -416.912868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.912868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.912868 (E_RNA)
where:
Base-Base interactions energy: -244.466
where: short stacking energy: -127.060
Base-Backbone interact. energy: 3.288
local terms energy: -175.735025
where:
bonds (distance) C4'-P energy: -36.522
bonds (distance) P-C4' energy: -40.715
flat angles C4'-P-C4' energy: -41.544
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -33.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -384.351531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.351531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.351531 (E_RNA)
where:
Base-Base interactions energy: -233.474
where: short stacking energy: -120.116
Base-Backbone interact. energy: 0.382
local terms energy: -151.259343
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -24.301
tors. eta vs tors. theta energy: -26.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -253.960339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.960339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.960339 (E_RNA)
where:
Base-Base interactions energy: -132.723
where: short stacking energy: -73.057
Base-Backbone interact. energy: 0.057
local terms energy: -121.294316
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -33.797
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -13.931
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: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -190.473020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.473020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.473020 (E_RNA)
where:
Base-Base interactions energy: -55.371
where: short stacking energy: -53.975
Base-Backbone interact. energy: -0.741
local terms energy: -134.360359
where:
bonds (distance) C4'-P energy: -35.658
bonds (distance) P-C4' energy: -35.950
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -24.605
tors. eta vs tors. theta energy: -1.164
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: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -171.901743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.901743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.901743 (E_RNA)
where:
Base-Base interactions energy: -68.205
where: short stacking energy: -50.463
Base-Backbone interact. energy: -0.008
local terms energy: -103.688467
where:
bonds (distance) C4'-P energy: -34.665
bonds (distance) P-C4' energy: -35.300
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -10.075
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: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -652.064985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.064985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.064985 (E_RNA)
where:
Base-Base interactions energy: -445.435
where: short stacking energy: -175.693
Base-Backbone interact. energy: -0.295
local terms energy: -206.334776
where:
bonds (distance) C4'-P energy: -41.227
bonds (distance) P-C4' energy: -43.417
flat angles C4'-P-C4' energy: -41.637
flat angles P-C4'-P energy: -29.596
tors. eta vs tors. theta energy: -50.459
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: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -629.203753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.203753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.203753 (E_RNA)
where:
Base-Base interactions energy: -419.974
where: short stacking energy: -181.460
Base-Backbone interact. energy: -0.881
local terms energy: -208.348700
where:
bonds (distance) C4'-P energy: -42.191
bonds (distance) P-C4' energy: -41.446
flat angles C4'-P-C4' energy: -42.490
flat angles P-C4'-P energy: -25.701
tors. eta vs tors. theta energy: -56.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -590.865497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.865497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.865497 (E_RNA)
where:
Base-Base interactions energy: -394.979
where: short stacking energy: -165.050
Base-Backbone interact. energy: -1.971
local terms energy: -193.916305
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -39.915
flat angles C4'-P-C4' energy: -41.496
flat angles P-C4'-P energy: -28.374
tors. eta vs tors. theta energy: -45.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -525.950013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.950013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.950013 (E_RNA)
where:
Base-Base interactions energy: -360.765
where: short stacking energy: -144.000
Base-Backbone interact. energy: 0.273
local terms energy: -165.458394
where:
bonds (distance) C4'-P energy: -33.012
bonds (distance) P-C4' energy: -38.501
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -30.234
tors. eta vs tors. theta energy: -30.370
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: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -475.993233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.993233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.993233 (E_RNA)
where:
Base-Base interactions energy: -294.699
where: short stacking energy: -132.093
Base-Backbone interact. energy: 0.333
local terms energy: -181.627040
where:
bonds (distance) C4'-P energy: -36.632
bonds (distance) P-C4' energy: -39.551
flat angles C4'-P-C4' energy: -40.840
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -39.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -373.898044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.898044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.898044 (E_RNA)
where:
Base-Base interactions energy: -234.269
where: short stacking energy: -119.680
Base-Backbone interact. energy: -0.911
local terms energy: -138.718130
where:
bonds (distance) C4'-P energy: -26.351
bonds (distance) P-C4' energy: -28.798
flat angles C4'-P-C4' energy: -35.792
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -25.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -375.229709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.229709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.229709 (E_RNA)
where:
Base-Base interactions energy: -222.679
where: short stacking energy: -108.752
Base-Backbone interact. energy: -0.946
local terms energy: -151.604163
where:
bonds (distance) C4'-P energy: -28.984
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -26.566
tors. eta vs tors. theta energy: -27.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -253.446557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.446557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.446557 (E_RNA)
where:
Base-Base interactions energy: -117.652
where: short stacking energy: -54.731
Base-Backbone interact. energy: -1.016
local terms energy: -134.779172
where:
bonds (distance) C4'-P energy: -43.575
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -21.148
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: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -194.145487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.145487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.145487 (E_RNA)
where:
Base-Base interactions energy: -77.182
where: short stacking energy: -56.725
Base-Backbone interact. energy: 2.294
local terms energy: -119.257787
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -36.680
flat angles C4'-P-C4' energy: -34.167
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: 3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -198.081841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.081841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.081841 (E_RNA)
where:
Base-Base interactions energy: -71.040
where: short stacking energy: -61.725
Base-Backbone interact. energy: -1.490
local terms energy: -125.551890
where:
bonds (distance) C4'-P energy: -35.683
bonds (distance) P-C4' energy: -40.086
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -10.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -639.343674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.343674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.343674 (E_RNA)
where:
Base-Base interactions energy: -429.755
where: short stacking energy: -178.877
Base-Backbone interact. energy: -0.198
local terms energy: -209.390265
where:
bonds (distance) C4'-P energy: -41.869
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -41.235
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -64.051
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: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -643.271360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.271360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.271360 (E_RNA)
where:
Base-Base interactions energy: -436.287
where: short stacking energy: -185.759
Base-Backbone interact. energy: -0.828
local terms energy: -206.156405
where:
bonds (distance) C4'-P energy: -43.211
bonds (distance) P-C4' energy: -36.644
flat angles C4'-P-C4' energy: -44.342
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -58.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -583.459540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.459540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.459540 (E_RNA)
where:
Base-Base interactions energy: -398.696
where: short stacking energy: -165.802
Base-Backbone interact. energy: -0.137
local terms energy: -184.626510
where:
bonds (distance) C4'-P energy: -34.170
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -29.727
tors. eta vs tors. theta energy: -49.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -562.228415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.228415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.228415 (E_RNA)
where:
Base-Base interactions energy: -381.816
where: short stacking energy: -157.853
Base-Backbone interact. energy: 0.979
local terms energy: -181.392082
where:
bonds (distance) C4'-P energy: -35.618
bonds (distance) P-C4' energy: -46.459
flat angles C4'-P-C4' energy: -37.284
flat angles P-C4'-P energy: -30.176
tors. eta vs tors. theta energy: -31.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -471.799773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.799773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.799773 (E_RNA)
where:
Base-Base interactions energy: -301.214
where: short stacking energy: -130.010
Base-Backbone interact. energy: -0.835
local terms energy: -169.751002
where:
bonds (distance) C4'-P energy: -26.087
bonds (distance) P-C4' energy: -39.297
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -28.194
tors. eta vs tors. theta energy: -36.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -394.214086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.214086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.214086 (E_RNA)
where:
Base-Base interactions energy: -242.709
where: short stacking energy: -127.866
Base-Backbone interact. energy: 0.434
local terms energy: -151.939499
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -32.820
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -28.851
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: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -389.950378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.950378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.950378 (E_RNA)
where:
Base-Base interactions energy: -237.250
where: short stacking energy: -116.583
Base-Backbone interact. energy: 0.189
local terms energy: -152.889272
where:
bonds (distance) C4'-P energy: -31.707
bonds (distance) P-C4' energy: -35.954
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -34.496
tors. eta vs tors. theta energy: -23.796
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: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -207.790389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.790389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.790389 (E_RNA)
where:
Base-Base interactions energy: -96.092
where: short stacking energy: -62.990
Base-Backbone interact. energy: 0.323
local terms energy: -112.021810
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -36.448
flat angles C4'-P-C4' energy: -27.020
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: 4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -169.270274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.270274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.270274 (E_RNA)
where:
Base-Base interactions energy: -69.210
where: short stacking energy: -57.316
Base-Backbone interact. energy: -1.232
local terms energy: -98.827569
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -28.755
flat angles P-C4'-P energy: -16.304
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: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -167.124684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.124684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.124684 (E_RNA)
where:
Base-Base interactions energy: -45.028
where: short stacking energy: -36.973
Base-Backbone interact. energy: -0.358
local terms energy: -121.739127
where:
bonds (distance) C4'-P energy: -37.992
bonds (distance) P-C4' energy: -31.302
flat angles C4'-P-C4' energy: -28.896
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: 2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -640.315307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.315307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.315307 (E_RNA)
where:
Base-Base interactions energy: -431.556
where: short stacking energy: -195.138
Base-Backbone interact. energy: -1.506
local terms energy: -207.253718
where:
bonds (distance) C4'-P energy: -38.300
bonds (distance) P-C4' energy: -39.883
flat angles C4'-P-C4' energy: -44.062
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -61.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -649.149779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.149779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.149779 (E_RNA)
where:
Base-Base interactions energy: -442.099
where: short stacking energy: -189.916
Base-Backbone interact. energy: -1.003
local terms energy: -206.048073
where:
bonds (distance) C4'-P energy: -31.568
bonds (distance) P-C4' energy: -41.551
flat angles C4'-P-C4' energy: -45.101
flat angles P-C4'-P energy: -32.612
tors. eta vs tors. theta energy: -55.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -578.921727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.921727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.921727 (E_RNA)
where:
Base-Base interactions energy: -390.644
where: short stacking energy: -166.531
Base-Backbone interact. energy: -0.553
local terms energy: -187.724865
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -43.011
flat angles P-C4'-P energy: -27.193
tors. eta vs tors. theta energy: -44.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -552.966741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.966741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.966741 (E_RNA)
where:
Base-Base interactions energy: -362.576
where: short stacking energy: -160.475
Base-Backbone interact. energy: -1.890
local terms energy: -188.500876
where:
bonds (distance) C4'-P energy: -38.205
bonds (distance) P-C4' energy: -36.427
flat angles C4'-P-C4' energy: -40.411
flat angles P-C4'-P energy: -33.401
tors. eta vs tors. theta energy: -40.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -472.101486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.101486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.101486 (E_RNA)
where:
Base-Base interactions energy: -305.956
where: short stacking energy: -128.294
Base-Backbone interact. energy: 0.282
local terms energy: -166.426581
where:
bonds (distance) C4'-P energy: -36.885
bonds (distance) P-C4' energy: -41.827
flat angles C4'-P-C4' energy: -29.289
flat angles P-C4'-P energy: -25.801
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: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -400.852936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.852936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.852936 (E_RNA)
where:
Base-Base interactions energy: -245.480
where: short stacking energy: -127.884
Base-Backbone interact. energy: -0.490
local terms energy: -154.882603
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -35.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -400.222880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.222880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.222880 (E_RNA)
where:
Base-Base interactions energy: -233.346
where: short stacking energy: -114.927
Base-Backbone interact. energy: -0.779
local terms energy: -166.097944
where:
bonds (distance) C4'-P energy: -39.804
bonds (distance) P-C4' energy: -41.306
flat angles C4'-P-C4' energy: -39.203
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -23.204
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: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -184.325763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.325763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.325763 (E_RNA)
where:
Base-Base interactions energy: -67.790
where: short stacking energy: -45.196
Base-Backbone interact. energy: 0.609
local terms energy: -117.144374
where:
bonds (distance) C4'-P energy: -37.587
bonds (distance) P-C4' energy: -33.283
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: 2.000
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: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -186.743556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.743556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.743556 (E_RNA)
where:
Base-Base interactions energy: -69.559
where: short stacking energy: -59.804
Base-Backbone interact. energy: -0.651
local terms energy: -116.533139
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -28.977
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -178.127406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.127406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.127406 (E_RNA)
where:
Base-Base interactions energy: -53.889
where: short stacking energy: -31.084
Base-Backbone interact. energy: 0.785
local terms energy: -125.023415
where:
bonds (distance) C4'-P energy: -31.876
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -22.526
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: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -639.139456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.139456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.139456 (E_RNA)
where:
Base-Base interactions energy: -432.353
where: short stacking energy: -190.374
Base-Backbone interact. energy: 0.176
local terms energy: -206.962216
where:
bonds (distance) C4'-P energy: -33.189
bonds (distance) P-C4' energy: -39.584
flat angles C4'-P-C4' energy: -41.478
flat angles P-C4'-P energy: -29.831
tors. eta vs tors. theta energy: -62.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -644.922571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.922571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.922571 (E_RNA)
where:
Base-Base interactions energy: -423.058
where: short stacking energy: -187.858
Base-Backbone interact. energy: -2.342
local terms energy: -219.522480
where:
bonds (distance) C4'-P energy: -45.762
bonds (distance) P-C4' energy: -42.075
flat angles C4'-P-C4' energy: -48.655
flat angles P-C4'-P energy: -26.396
tors. eta vs tors. theta energy: -56.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -585.596760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.596760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.596760 (E_RNA)
where:
Base-Base interactions energy: -403.885
where: short stacking energy: -154.201
Base-Backbone interact. energy: -1.757
local terms energy: -179.955066
where:
bonds (distance) C4'-P energy: -35.608
bonds (distance) P-C4' energy: -38.389
flat angles C4'-P-C4' energy: -44.973
flat angles P-C4'-P energy: -32.150
tors. eta vs tors. theta energy: -28.836
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: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -579.279200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.279200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.279200 (E_RNA)
where:
Base-Base interactions energy: -399.984
where: short stacking energy: -167.953
Base-Backbone interact. energy: -0.528
local terms energy: -178.767920
where:
bonds (distance) C4'-P energy: -35.080
bonds (distance) P-C4' energy: -38.708
flat angles C4'-P-C4' energy: -43.145
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -42.713
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: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -498.397857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.397857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.397857 (E_RNA)
where:
Base-Base interactions energy: -313.192
where: short stacking energy: -153.094
Base-Backbone interact. energy: -0.818
local terms energy: -184.387378
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -49.726
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -45.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -422.957319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.957319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.957319 (E_RNA)
where:
Base-Base interactions energy: -248.617
where: short stacking energy: -131.781
Base-Backbone interact. energy: -0.543
local terms energy: -173.797477
where:
bonds (distance) C4'-P energy: -40.828
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -37.090
flat angles P-C4'-P energy: -28.911
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: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -392.228778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.228778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.228778 (E_RNA)
where:
Base-Base interactions energy: -246.595
where: short stacking energy: -120.102
Base-Backbone interact. energy: -2.574
local terms energy: -143.059026
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -38.533
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -31.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -206.532106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.532106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.532106 (E_RNA)
where:
Base-Base interactions energy: -87.580
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.585
local terms energy: -118.367643
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -34.868
flat angles C4'-P-C4' energy: -31.772
flat angles P-C4'-P energy: -25.997
tors. eta vs tors. theta energy: 3.330
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: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -188.222953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.222953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.222953 (E_RNA)
where:
Base-Base interactions energy: -70.913
where: short stacking energy: -64.978
Base-Backbone interact. energy: -0.819
local terms energy: -116.491392
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -38.521
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -175.902924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.902924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.902924 (E_RNA)
where:
Base-Base interactions energy: -66.499
where: short stacking energy: -44.483
Base-Backbone interact. energy: 0.312
local terms energy: -109.715968
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -30.926
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -6.500
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: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -645.613217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.613217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.613217 (E_RNA)
where:
Base-Base interactions energy: -435.272
where: short stacking energy: -188.046
Base-Backbone interact. energy: -0.153
local terms energy: -210.188143
where:
bonds (distance) C4'-P energy: -41.350
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -44.390
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: -60.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -645.587160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.587160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.587160 (E_RNA)
where:
Base-Base interactions energy: -432.819
where: short stacking energy: -177.533
Base-Backbone interact. energy: -0.787
local terms energy: -211.981106
where:
bonds (distance) C4'-P energy: -38.990
bonds (distance) P-C4' energy: -46.145
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -57.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -589.911904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.911904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.911904 (E_RNA)
where:
Base-Base interactions energy: -401.849
where: short stacking energy: -162.202
Base-Backbone interact. energy: -0.887
local terms energy: -187.176230
where:
bonds (distance) C4'-P energy: -40.489
bonds (distance) P-C4' energy: -34.228
flat angles C4'-P-C4' energy: -44.673
flat angles P-C4'-P energy: -27.836
tors. eta vs tors. theta energy: -39.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -574.445665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.445665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.445665 (E_RNA)
where:
Base-Base interactions energy: -385.093
where: short stacking energy: -166.260
Base-Backbone interact. energy: -0.618
local terms energy: -188.734794
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -39.080
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -44.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -480.860024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.860024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.860024 (E_RNA)
where:
Base-Base interactions energy: -319.321
where: short stacking energy: -144.997
Base-Backbone interact. energy: -1.005
local terms energy: -160.533921
where:
bonds (distance) C4'-P energy: -35.831
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -36.132
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -36.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -412.890424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.890424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.890424 (E_RNA)
where:
Base-Base interactions energy: -248.353
where: short stacking energy: -125.364
Base-Backbone interact. energy: -2.318
local terms energy: -162.219272
where:
bonds (distance) C4'-P energy: -37.080
bonds (distance) P-C4' energy: -29.328
flat angles C4'-P-C4' energy: -36.232
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -32.442
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: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -358.510971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.510971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.510971 (E_RNA)
where:
Base-Base interactions energy: -202.146
where: short stacking energy: -100.745
Base-Backbone interact. energy: -1.171
local terms energy: -155.194250
where:
bonds (distance) C4'-P energy: -38.361
bonds (distance) P-C4' energy: -33.578
flat angles C4'-P-C4' energy: -38.103
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -29.691
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: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -223.413673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.413673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.413673 (E_RNA)
where:
Base-Base interactions energy: -88.108
where: short stacking energy: -57.629
Base-Backbone interact. energy: -1.252
local terms energy: -134.053043
where:
bonds (distance) C4'-P energy: -32.879
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: 5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -190.666278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.666278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.666278 (E_RNA)
where:
Base-Base interactions energy: -69.292
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.702
local terms energy: -120.672359
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -38.122
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: 0.309
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: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -158.385900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.385900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.385900 (E_RNA)
where:
Base-Base interactions energy: -36.632
where: short stacking energy: -30.063
Base-Backbone interact. energy: -0.486
local terms energy: -121.268162
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -7.455
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: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -636.998442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.998442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.998442 (E_RNA)
where:
Base-Base interactions energy: -421.869
where: short stacking energy: -195.241
Base-Backbone interact. energy: -0.119
local terms energy: -215.010525
where:
bonds (distance) C4'-P energy: -41.751
bonds (distance) P-C4' energy: -40.238
flat angles C4'-P-C4' energy: -44.657
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -63.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -632.690155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.690155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.690155 (E_RNA)
where:
Base-Base interactions energy: -426.425
where: short stacking energy: -173.597
Base-Backbone interact. energy: -1.095
local terms energy: -205.170057
where:
bonds (distance) C4'-P energy: -41.511
bonds (distance) P-C4' energy: -38.733
flat angles C4'-P-C4' energy: -42.684
flat angles P-C4'-P energy: -27.119
tors. eta vs tors. theta energy: -55.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -589.500000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.500000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.500000 (E_RNA)
where:
Base-Base interactions energy: -397.325
where: short stacking energy: -159.392
Base-Backbone interact. energy: 0.161
local terms energy: -192.335274
where:
bonds (distance) C4'-P energy: -40.162
bonds (distance) P-C4' energy: -41.767
flat angles C4'-P-C4' energy: -42.452
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -42.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -534.730935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.730935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.730935 (E_RNA)
where:
Base-Base interactions energy: -362.021
where: short stacking energy: -155.801
Base-Backbone interact. energy: -2.186
local terms energy: -170.523978
where:
bonds (distance) C4'-P energy: -29.472
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -42.446
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -43.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -508.868271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.868271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.868271 (E_RNA)
where:
Base-Base interactions energy: -327.685
where: short stacking energy: -142.136
Base-Backbone interact. energy: -1.371
local terms energy: -179.812394
where:
bonds (distance) C4'-P energy: -36.889
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -40.338
flat angles P-C4'-P energy: -26.690
tors. eta vs tors. theta energy: -38.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -374.154120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.154120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.154120 (E_RNA)
where:
Base-Base interactions energy: -215.682
where: short stacking energy: -104.560
Base-Backbone interact. energy: 1.654
local terms energy: -160.126910
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -19.555
tors. eta vs tors. theta energy: -24.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -391.187005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.187005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.187005 (E_RNA)
where:
Base-Base interactions energy: -219.794
where: short stacking energy: -112.327
Base-Backbone interact. energy: -0.593
local terms energy: -170.800193
where:
bonds (distance) C4'-P energy: -40.363
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -31.933
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -24.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -191.583777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.583777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.583777 (E_RNA)
where:
Base-Base interactions energy: -77.868
where: short stacking energy: -55.049
Base-Backbone interact. energy: -0.303
local terms energy: -113.412865
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -37.872
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -160.735387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.735387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.735387 (E_RNA)
where:
Base-Base interactions energy: -37.569
where: short stacking energy: -32.220
Base-Backbone interact. energy: -0.833
local terms energy: -122.332943
where:
bonds (distance) C4'-P energy: -35.359
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -31.579
flat angles P-C4'-P energy: -25.068
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: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -159.927319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.927319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.927319 (E_RNA)
where:
Base-Base interactions energy: -46.661
where: short stacking energy: -31.017
Base-Backbone interact. energy: -1.566
local terms energy: -111.699552
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -34.046
flat angles C4'-P-C4' energy: -33.927
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: 8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -635.475284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.475284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.475284 (E_RNA)
where:
Base-Base interactions energy: -420.562
where: short stacking energy: -191.741
Base-Backbone interact. energy: -1.907
local terms energy: -213.006336
where:
bonds (distance) C4'-P energy: -43.023
bonds (distance) P-C4' energy: -46.017
flat angles C4'-P-C4' energy: -41.224
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -56.283
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: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -629.925659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.925659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.925659 (E_RNA)
where:
Base-Base interactions energy: -445.168
where: short stacking energy: -171.190
Base-Backbone interact. energy: -0.367
local terms energy: -184.390058
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -38.030
flat angles C4'-P-C4' energy: -40.635
flat angles P-C4'-P energy: -30.585
tors. eta vs tors. theta energy: -46.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -597.614390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.614390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.614390 (E_RNA)
where:
Base-Base interactions energy: -406.854
where: short stacking energy: -171.634
Base-Backbone interact. energy: -0.006
local terms energy: -190.754197
where:
bonds (distance) C4'-P energy: -39.735
bonds (distance) P-C4' energy: -46.399
flat angles C4'-P-C4' energy: -41.877
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -43.094
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: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -505.858684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.858684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.858684 (E_RNA)
where:
Base-Base interactions energy: -315.785
where: short stacking energy: -139.696
Base-Backbone interact. energy: -0.281
local terms energy: -189.792884
where:
bonds (distance) C4'-P energy: -36.465
bonds (distance) P-C4' energy: -43.649
flat angles C4'-P-C4' energy: -42.658
flat angles P-C4'-P energy: -31.827
tors. eta vs tors. theta energy: -35.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -537.559682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.559682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.559682 (E_RNA)
where:
Base-Base interactions energy: -366.291
where: short stacking energy: -146.035
Base-Backbone interact. energy: 1.623
local terms energy: -172.891678
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -34.241
flat angles C4'-P-C4' energy: -42.463
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -37.030
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: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -408.802575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.802575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.802575 (E_RNA)
where:
Base-Base interactions energy: -246.191
where: short stacking energy: -113.257
Base-Backbone interact. energy: -0.759
local terms energy: -161.852876
where:
bonds (distance) C4'-P energy: -35.173
bonds (distance) P-C4' energy: -38.825
flat angles C4'-P-C4' energy: -36.808
flat angles P-C4'-P energy: -26.185
tors. eta vs tors. theta energy: -24.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -345.396172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.396172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.396172 (E_RNA)
where:
Base-Base interactions energy: -188.011
where: short stacking energy: -93.997
Base-Backbone interact. energy: 1.747
local terms energy: -159.132555
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -40.234
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -33.438
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -194.858677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.858677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.858677 (E_RNA)
where:
Base-Base interactions energy: -52.892
where: short stacking energy: -45.539
Base-Backbone interact. energy: -0.828
local terms energy: -141.137992
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -45.093
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -22.894
tors. eta vs tors. theta energy: 3.622
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -189.682529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.682529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.682529 (E_RNA)
where:
Base-Base interactions energy: -72.736
where: short stacking energy: -55.727
Base-Backbone interact. energy: -0.647
local terms energy: -116.299591
where:
bonds (distance) C4'-P energy: -29.639
bonds (distance) P-C4' energy: -40.877
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -171.168539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.168539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.168539 (E_RNA)
where:
Base-Base interactions energy: -44.471
where: short stacking energy: -35.032
Base-Backbone interact. energy: 0.490
local terms energy: -127.188296
where:
bonds (distance) C4'-P energy: -33.803
bonds (distance) P-C4' energy: -42.659
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -29.544
tors. eta vs tors. theta energy: 6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -640.118734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.118734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.118734 (E_RNA)
where:
Base-Base interactions energy: -421.870
where: short stacking energy: -189.209
Base-Backbone interact. energy: -0.057
local terms energy: -218.190936
where:
bonds (distance) C4'-P energy: -47.626
bonds (distance) P-C4' energy: -42.542
flat angles C4'-P-C4' energy: -41.723
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -59.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -638.399953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.399953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.399953 (E_RNA)
where:
Base-Base interactions energy: -432.893
where: short stacking energy: -174.919
Base-Backbone interact. energy: -1.824
local terms energy: -203.682710
where:
bonds (distance) C4'-P energy: -37.160
bonds (distance) P-C4' energy: -41.777
flat angles C4'-P-C4' energy: -45.057
flat angles P-C4'-P energy: -28.320
tors. eta vs tors. theta energy: -51.369
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: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -608.467633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.467633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.467633 (E_RNA)
where:
Base-Base interactions energy: -426.281
where: short stacking energy: -170.267
Base-Backbone interact. energy: -0.330
local terms energy: -181.855911
where:
bonds (distance) C4'-P energy: -41.842
bonds (distance) P-C4' energy: -29.126
flat angles C4'-P-C4' energy: -33.562
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -48.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -518.547358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.547358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.547358 (E_RNA)
where:
Base-Base interactions energy: -321.864
where: short stacking energy: -152.834
Base-Backbone interact. energy: -0.663
local terms energy: -196.020270
where:
bonds (distance) C4'-P energy: -38.346
bonds (distance) P-C4' energy: -42.017
flat angles C4'-P-C4' energy: -45.533
flat angles P-C4'-P energy: -27.831
tors. eta vs tors. theta energy: -42.293
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: 70
Temperature: 1.100000
Total energy: -552.526539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.526539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.526539 (E_RNA)
where:
Base-Base interactions energy: -371.547
where: short stacking energy: -156.059
Base-Backbone interact. energy: -1.165
local terms energy: -179.814206
where:
bonds (distance) C4'-P energy: -37.723
bonds (distance) P-C4' energy: -34.545
flat angles C4'-P-C4' energy: -40.106
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -46.085
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: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -428.506123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.506123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.506123 (E_RNA)
where:
Base-Base interactions energy: -245.645
where: short stacking energy: -127.683
Base-Backbone interact. energy: -0.709
local terms energy: -182.152614
where:
bonds (distance) C4'-P energy: -37.846
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -43.755
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -39.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -334.590514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.590514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.590514 (E_RNA)
where:
Base-Base interactions energy: -189.051
where: short stacking energy: -102.604
Base-Backbone interact. energy: -1.334
local terms energy: -144.205810
where:
bonds (distance) C4'-P energy: -32.495
bonds (distance) P-C4' energy: -32.409
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -24.965
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: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -221.045656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.045656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.045656 (E_RNA)
where:
Base-Base interactions energy: -89.903
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.499
local terms energy: -130.644022
where:
bonds (distance) C4'-P energy: -32.294
bonds (distance) P-C4' energy: -38.999
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -27.185
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: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -193.982317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.982317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.982317 (E_RNA)
where:
Base-Base interactions energy: -81.677
where: short stacking energy: -63.211
Base-Backbone interact. energy: 0.608
local terms energy: -112.912676
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -31.707
flat angles P-C4'-P energy: -14.299
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: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -168.805226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.805226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.805226 (E_RNA)
where:
Base-Base interactions energy: -57.652
where: short stacking energy: -55.820
Base-Backbone interact. energy: 0.091
local terms energy: -111.244047
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -40.462
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: 7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -607.553394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.553394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.553394 (E_RNA)
where:
Base-Base interactions energy: -405.970
where: short stacking energy: -176.452
Base-Backbone interact. energy: 0.303
local terms energy: -201.886224
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -43.195
flat angles C4'-P-C4' energy: -42.448
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -49.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -625.499643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.499643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.499643 (E_RNA)
where:
Base-Base interactions energy: -424.110
where: short stacking energy: -163.254
Base-Backbone interact. energy: -0.895
local terms energy: -200.494032
where:
bonds (distance) C4'-P energy: -41.917
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -51.870
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: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -616.996132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.996132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.996132 (E_RNA)
where:
Base-Base interactions energy: -414.119
where: short stacking energy: -173.976
Base-Backbone interact. energy: -1.625
local terms energy: -201.252457
where:
bonds (distance) C4'-P energy: -42.164
bonds (distance) P-C4' energy: -37.965
flat angles C4'-P-C4' energy: -42.360
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -48.349
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: 71
Temperature: 1.050000
Total energy: -556.147385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.147385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.147385 (E_RNA)
where:
Base-Base interactions energy: -377.876
where: short stacking energy: -142.208
Base-Backbone interact. energy: 3.852
local terms energy: -182.123300
where:
bonds (distance) C4'-P energy: -41.137
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -39.836
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -41.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -494.570896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.570896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.570896 (E_RNA)
where:
Base-Base interactions energy: -316.385
where: short stacking energy: -139.107
Base-Backbone interact. energy: -0.743
local terms energy: -177.442527
where:
bonds (distance) C4'-P energy: -31.884
bonds (distance) P-C4' energy: -41.822
flat angles C4'-P-C4' energy: -38.984
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -39.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -416.649923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.649923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.649923 (E_RNA)
where:
Base-Base interactions energy: -241.172
where: short stacking energy: -128.775
Base-Backbone interact. energy: -0.746
local terms energy: -174.731698
where:
bonds (distance) C4'-P energy: -34.638
bonds (distance) P-C4' energy: -37.538
flat angles C4'-P-C4' energy: -35.579
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -42.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -346.194148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.194148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.194148 (E_RNA)
where:
Base-Base interactions energy: -216.122
where: short stacking energy: -94.324
Base-Backbone interact. energy: 0.064
local terms energy: -130.136640
where:
bonds (distance) C4'-P energy: -35.074
bonds (distance) P-C4' energy: -32.109
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -8.508
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: 71
Temperature: 1.250000
Total energy: -208.711451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.711451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.711451 (E_RNA)
where:
Base-Base interactions energy: -78.613
where: short stacking energy: -66.724
Base-Backbone interact. energy: -0.903
local terms energy: -129.195461
where:
bonds (distance) C4'-P energy: -35.084
bonds (distance) P-C4' energy: -37.024
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -29.754
tors. eta vs tors. theta energy: 2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -166.657857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.657857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.657857 (E_RNA)
where:
Base-Base interactions energy: -59.164
where: short stacking energy: -48.853
Base-Backbone interact. energy: -0.439
local terms energy: -107.055383
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -32.799
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: 1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -166.136822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.136822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.136822 (E_RNA)
where:
Base-Base interactions energy: -52.159
where: short stacking energy: -46.230
Base-Backbone interact. energy: -0.437
local terms energy: -113.540208
where:
bonds (distance) C4'-P energy: -42.013
bonds (distance) P-C4' energy: -32.274
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: 2.659
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: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -640.379840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.379840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.379840 (E_RNA)
where:
Base-Base interactions energy: -428.093
where: short stacking energy: -173.116
Base-Backbone interact. energy: -1.990
local terms energy: -210.296401
where:
bonds (distance) C4'-P energy: -42.212
bonds (distance) P-C4' energy: -45.616
flat angles C4'-P-C4' energy: -43.986
flat angles P-C4'-P energy: -33.511
tors. eta vs tors. theta energy: -44.971
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: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -583.929016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.929016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.929016 (E_RNA)
where:
Base-Base interactions energy: -369.759
where: short stacking energy: -185.658
Base-Backbone interact. energy: -0.144
local terms energy: -214.026658
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -40.934
flat angles C4'-P-C4' energy: -46.255
flat angles P-C4'-P energy: -37.228
tors. eta vs tors. theta energy: -60.297
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: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -596.919009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.919009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.919009 (E_RNA)
where:
Base-Base interactions energy: -414.013
where: short stacking energy: -177.052
Base-Backbone interact. energy: -0.797
local terms energy: -182.109023
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -41.645
flat angles P-C4'-P energy: -31.929
tors. eta vs tors. theta energy: -47.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -544.827887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.827887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.827887 (E_RNA)
where:
Base-Base interactions energy: -364.829
where: short stacking energy: -167.039
Base-Backbone interact. energy: -0.608
local terms energy: -179.391298
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -39.433
flat angles P-C4'-P energy: -25.977
tors. eta vs tors. theta energy: -48.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -514.050522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.050522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.050522 (E_RNA)
where:
Base-Base interactions energy: -341.483
where: short stacking energy: -158.702
Base-Backbone interact. energy: 0.777
local terms energy: -173.344574
where:
bonds (distance) C4'-P energy: -29.922
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -38.911
flat angles P-C4'-P energy: -24.586
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: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -402.044980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.044980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.044980 (E_RNA)
where:
Base-Base interactions energy: -232.645
where: short stacking energy: -128.030
Base-Backbone interact. energy: -0.263
local terms energy: -169.137324
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -42.000
flat angles P-C4'-P energy: -23.762
tors. eta vs tors. theta energy: -34.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -382.753221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.753221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.753221 (E_RNA)
where:
Base-Base interactions energy: -223.801
where: short stacking energy: -108.969
Base-Backbone interact. energy: -0.459
local terms energy: -158.493622
where:
bonds (distance) C4'-P energy: -40.041
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -32.428
flat angles P-C4'-P energy: -22.441
tors. eta vs tors. theta energy: -23.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -205.224594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.224594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.224594 (E_RNA)
where:
Base-Base interactions energy: -83.994
where: short stacking energy: -76.372
Base-Backbone interact. energy: -1.098
local terms energy: -120.132581
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -177.383986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.383986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.383986 (E_RNA)
where:
Base-Base interactions energy: -72.771
where: short stacking energy: -46.761
Base-Backbone interact. energy: -0.352
local terms energy: -104.260720
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -35.919
flat angles C4'-P-C4' energy: -28.819
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: 5.467
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: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -174.582400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.582400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.582400 (E_RNA)
where:
Base-Base interactions energy: -52.273
where: short stacking energy: -43.711
Base-Backbone interact. energy: -1.010
local terms energy: -121.299716
where:
bonds (distance) C4'-P energy: -34.573
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -27.890
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -654.099361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.099361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.099361 (E_RNA)
where:
Base-Base interactions energy: -448.764
where: short stacking energy: -177.382
Base-Backbone interact. energy: -0.835
local terms energy: -204.500139
where:
bonds (distance) C4'-P energy: -35.375
bonds (distance) P-C4' energy: -46.944
flat angles C4'-P-C4' energy: -41.898
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -52.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -597.595767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.595767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.595767 (E_RNA)
where:
Base-Base interactions energy: -377.406
where: short stacking energy: -188.604
Base-Backbone interact. energy: -0.369
local terms energy: -219.820534
where:
bonds (distance) C4'-P energy: -40.518
bonds (distance) P-C4' energy: -40.996
flat angles C4'-P-C4' energy: -43.983
flat angles P-C4'-P energy: -29.974
tors. eta vs tors. theta energy: -64.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -602.933649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.933649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.933649 (E_RNA)
where:
Base-Base interactions energy: -411.914
where: short stacking energy: -168.147
Base-Backbone interact. energy: -0.982
local terms energy: -190.037280
where:
bonds (distance) C4'-P energy: -38.827
bonds (distance) P-C4' energy: -36.284
flat angles C4'-P-C4' energy: -35.153
flat angles P-C4'-P energy: -30.532
tors. eta vs tors. theta energy: -49.241
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: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -570.931358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.931358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.931358 (E_RNA)
where:
Base-Base interactions energy: -376.115
where: short stacking energy: -153.429
Base-Backbone interact. energy: -0.565
local terms energy: -194.250674
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -36.795
flat angles C4'-P-C4' energy: -42.117
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -39.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -503.540413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.540413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.540413 (E_RNA)
where:
Base-Base interactions energy: -328.990
where: short stacking energy: -136.061
Base-Backbone interact. energy: -1.533
local terms energy: -173.017091
where:
bonds (distance) C4'-P energy: -31.955
bonds (distance) P-C4' energy: -41.914
flat angles C4'-P-C4' energy: -37.364
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -47.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -390.781161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.781161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.781161 (E_RNA)
where:
Base-Base interactions energy: -225.620
where: short stacking energy: -125.011
Base-Backbone interact. energy: -0.261
local terms energy: -164.899802
where:
bonds (distance) C4'-P energy: -38.730
bonds (distance) P-C4' energy: -43.564
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -33.070
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: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -380.191794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.191794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.191794 (E_RNA)
where:
Base-Base interactions energy: -236.069
where: short stacking energy: -103.941
Base-Backbone interact. energy: 0.827
local terms energy: -144.949578
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -28.710
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -190.964220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.964220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.964220 (E_RNA)
where:
Base-Base interactions energy: -79.636
where: short stacking energy: -47.320
Base-Backbone interact. energy: -0.604
local terms energy: -110.724529
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -24.892
flat angles C4'-P-C4' energy: -33.033
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: 5.672
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: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -207.917801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.917801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.917801 (E_RNA)
where:
Base-Base interactions energy: -97.776
where: short stacking energy: -48.172
Base-Backbone interact. energy: 3.398
local terms energy: -113.539696
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -35.760
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: 4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -164.407385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.407385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.407385 (E_RNA)
where:
Base-Base interactions energy: -53.405
where: short stacking energy: -40.422
Base-Backbone interact. energy: -0.346
local terms energy: -110.656964
where:
bonds (distance) C4'-P energy: -32.933
bonds (distance) P-C4' energy: -43.611
flat angles C4'-P-C4' energy: -26.384
flat angles P-C4'-P energy: -18.683
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: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -657.624671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.624671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.624671 (E_RNA)
where:
Base-Base interactions energy: -448.722
where: short stacking energy: -185.425
Base-Backbone interact. energy: -0.938
local terms energy: -207.964077
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -44.082
flat angles C4'-P-C4' energy: -47.543
flat angles P-C4'-P energy: -29.255
tors. eta vs tors. theta energy: -53.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -571.780095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.780095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.780095 (E_RNA)
where:
Base-Base interactions energy: -373.143
where: short stacking energy: -181.791
Base-Backbone interact. energy: -0.301
local terms energy: -198.336427
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -41.858
flat angles C4'-P-C4' energy: -43.135
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -57.982
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: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -620.572220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.572220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.572220 (E_RNA)
where:
Base-Base interactions energy: -410.791
where: short stacking energy: -179.277
Base-Backbone interact. energy: -1.485
local terms energy: -208.296251
where:
bonds (distance) C4'-P energy: -36.726
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -46.125
flat angles P-C4'-P energy: -33.091
tors. eta vs tors. theta energy: -57.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -563.356972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.356972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.356972 (E_RNA)
where:
Base-Base interactions energy: -383.910
where: short stacking energy: -168.545
Base-Backbone interact. energy: 0.086
local terms energy: -179.533248
where:
bonds (distance) C4'-P energy: -38.553
bonds (distance) P-C4' energy: -35.982
flat angles C4'-P-C4' energy: -38.108
flat angles P-C4'-P energy: -25.533
tors. eta vs tors. theta energy: -41.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -501.778239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.778239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.778239 (E_RNA)
where:
Base-Base interactions energy: -317.183
where: short stacking energy: -142.687
Base-Backbone interact. energy: -1.064
local terms energy: -183.531042
where:
bonds (distance) C4'-P energy: -39.218
bonds (distance) P-C4' energy: -36.164
flat angles C4'-P-C4' energy: -44.012
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -39.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -385.272232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.272232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.272232 (E_RNA)
where:
Base-Base interactions energy: -223.675
where: short stacking energy: -113.357
Base-Backbone interact. energy: -1.126
local terms energy: -160.471968
where:
bonds (distance) C4'-P energy: -34.027
bonds (distance) P-C4' energy: -38.736
flat angles C4'-P-C4' energy: -37.787
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -27.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -362.258304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.258304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.258304 (E_RNA)
where:
Base-Base interactions energy: -208.745
where: short stacking energy: -115.753
Base-Backbone interact. energy: -0.386
local terms energy: -153.126882
where:
bonds (distance) C4'-P energy: -36.023
bonds (distance) P-C4' energy: -41.292
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -197.548229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.548229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.548229 (E_RNA)
where:
Base-Base interactions energy: -77.915
where: short stacking energy: -67.582
Base-Backbone interact. energy: -0.453
local terms energy: -119.179806
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -32.910
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: 3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -184.314917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.314917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.314917 (E_RNA)
where:
Base-Base interactions energy: -71.830
where: short stacking energy: -42.317
Base-Backbone interact. energy: 0.144
local terms energy: -112.629705
where:
bonds (distance) C4'-P energy: -34.014
bonds (distance) P-C4' energy: -43.416
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: 6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -157.306196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.306196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.306196 (E_RNA)
where:
Base-Base interactions energy: -61.230
where: short stacking energy: -36.063
Base-Backbone interact. energy: 0.983
local terms energy: -97.059437
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: 9.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -647.952340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.952340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.952340 (E_RNA)
where:
Base-Base interactions energy: -442.650
where: short stacking energy: -160.732
Base-Backbone interact. energy: -0.855
local terms energy: -204.446582
where:
bonds (distance) C4'-P energy: -39.148
bonds (distance) P-C4' energy: -44.596
flat angles C4'-P-C4' energy: -45.055
flat angles P-C4'-P energy: -28.581
tors. eta vs tors. theta energy: -47.067
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: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -630.671644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.671644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.671644 (E_RNA)
where:
Base-Base interactions energy: -427.337
where: short stacking energy: -169.283
Base-Backbone interact. energy: -0.918
local terms energy: -202.416906
where:
bonds (distance) C4'-P energy: -37.570
bonds (distance) P-C4' energy: -39.004
flat angles C4'-P-C4' energy: -44.989
flat angles P-C4'-P energy: -27.834
tors. eta vs tors. theta energy: -53.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -576.296917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.296917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.296917 (E_RNA)
where:
Base-Base interactions energy: -395.654
where: short stacking energy: -174.245
Base-Backbone interact. energy: 0.262
local terms energy: -180.904857
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -40.455
flat angles C4'-P-C4' energy: -40.484
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -59.610
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: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -567.481093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.481093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.481093 (E_RNA)
where:
Base-Base interactions energy: -385.321
where: short stacking energy: -156.527
Base-Backbone interact. energy: -1.186
local terms energy: -180.974323
where:
bonds (distance) C4'-P energy: -41.435
bonds (distance) P-C4' energy: -39.620
flat angles C4'-P-C4' energy: -35.444
flat angles P-C4'-P energy: -26.083
tors. eta vs tors. theta energy: -38.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -507.537836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.537836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.537836 (E_RNA)
where:
Base-Base interactions energy: -339.038
where: short stacking energy: -153.608
Base-Backbone interact. energy: -0.882
local terms energy: -167.617211
where:
bonds (distance) C4'-P energy: -36.852
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -32.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -382.465282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.465282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.465282 (E_RNA)
where:
Base-Base interactions energy: -235.419
where: short stacking energy: -121.680
Base-Backbone interact. energy: -1.236
local terms energy: -145.810207
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -30.689
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: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -350.890110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.890110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.890110 (E_RNA)
where:
Base-Base interactions energy: -203.119
where: short stacking energy: -109.402
Base-Backbone interact. energy: 0.764
local terms energy: -148.534526
where:
bonds (distance) C4'-P energy: -35.410
bonds (distance) P-C4' energy: -34.899
flat angles C4'-P-C4' energy: -37.965
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -25.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -197.346758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.346758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.346758 (E_RNA)
where:
Base-Base interactions energy: -82.607
where: short stacking energy: -49.897
Base-Backbone interact. energy: -1.878
local terms energy: -112.861559
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -36.272
flat angles P-C4'-P energy: -25.882
tors. eta vs tors. theta energy: 3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -193.056776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.056776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.056776 (E_RNA)
where:
Base-Base interactions energy: -66.537
where: short stacking energy: -46.271
Base-Backbone interact. energy: 0.217
local terms energy: -126.735983
where:
bonds (distance) C4'-P energy: -41.003
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -162.852498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.852498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.852498 (E_RNA)
where:
Base-Base interactions energy: -56.554
where: short stacking energy: -50.802
Base-Backbone interact. energy: 2.224
local terms energy: -108.522670
where:
bonds (distance) C4'-P energy: -30.143
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -0.313
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: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -648.435500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.435500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.435500 (E_RNA)
where:
Base-Base interactions energy: -438.893
where: short stacking energy: -183.795
Base-Backbone interact. energy: -0.334
local terms energy: -209.208447
where:
bonds (distance) C4'-P energy: -41.695
bonds (distance) P-C4' energy: -35.231
flat angles C4'-P-C4' energy: -50.034
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -52.845
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: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -635.792151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.792151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.792151 (E_RNA)
where:
Base-Base interactions energy: -438.679
where: short stacking energy: -169.070
Base-Backbone interact. energy: -0.396
local terms energy: -196.716219
where:
bonds (distance) C4'-P energy: -36.404
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -40.700
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -53.027
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: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -592.411677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.411677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.411677 (E_RNA)
where:
Base-Base interactions energy: -393.438
where: short stacking energy: -181.087
Base-Backbone interact. energy: -0.440
local terms energy: -198.533372
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -40.667
flat angles C4'-P-C4' energy: -37.222
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: -59.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -531.762994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.762994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.762994 (E_RNA)
where:
Base-Base interactions energy: -357.129
where: short stacking energy: -154.925
Base-Backbone interact. energy: 0.204
local terms energy: -174.838408
where:
bonds (distance) C4'-P energy: -37.770
bonds (distance) P-C4' energy: -42.946
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -25.412
tors. eta vs tors. theta energy: -33.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -507.539691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.539691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.539691 (E_RNA)
where:
Base-Base interactions energy: -328.865
where: short stacking energy: -144.724
Base-Backbone interact. energy: -0.358
local terms energy: -178.316236
where:
bonds (distance) C4'-P energy: -32.443
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -38.266
flat angles P-C4'-P energy: -28.206
tors. eta vs tors. theta energy: -41.839
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: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -393.373565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.373565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.373565 (E_RNA)
where:
Base-Base interactions energy: -236.501
where: short stacking energy: -122.317
Base-Backbone interact. energy: -1.060
local terms energy: -155.812277
where:
bonds (distance) C4'-P energy: -31.423
bonds (distance) P-C4' energy: -39.087
flat angles C4'-P-C4' energy: -39.063
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -29.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -386.777839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.777839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.777839 (E_RNA)
where:
Base-Base interactions energy: -239.773
where: short stacking energy: -106.021
Base-Backbone interact. energy: -0.662
local terms energy: -146.342829
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -37.917
flat angles C4'-P-C4' energy: -38.216
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: -14.057
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: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -216.475497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.475497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.475497 (E_RNA)
where:
Base-Base interactions energy: -93.921
where: short stacking energy: -67.322
Base-Backbone interact. energy: -0.306
local terms energy: -122.248855
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -36.792
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -203.909980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.909980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.909980 (E_RNA)
where:
Base-Base interactions energy: -95.016
where: short stacking energy: -50.612
Base-Backbone interact. energy: -1.357
local terms energy: -107.537400
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: 2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -170.278782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.278782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.278782 (E_RNA)
where:
Base-Base interactions energy: -58.796
where: short stacking energy: -51.819
Base-Backbone interact. energy: -0.696
local terms energy: -110.786683
where:
bonds (distance) C4'-P energy: -41.997
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: 7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -642.164575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.164575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.164575 (E_RNA)
where:
Base-Base interactions energy: -434.964
where: short stacking energy: -179.465
Base-Backbone interact. energy: -1.683
local terms energy: -205.517436
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -41.597
flat angles C4'-P-C4' energy: -44.582
flat angles P-C4'-P energy: -35.859
tors. eta vs tors. theta energy: -49.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -651.667293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.667293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.667293 (E_RNA)
where:
Base-Base interactions energy: -440.031
where: short stacking energy: -187.923
Base-Backbone interact. energy: -1.160
local terms energy: -210.476696
where:
bonds (distance) C4'-P energy: -42.899
bonds (distance) P-C4' energy: -42.203
flat angles C4'-P-C4' energy: -41.214
flat angles P-C4'-P energy: -28.793
tors. eta vs tors. theta energy: -55.367
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: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -575.277806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.277806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.277806 (E_RNA)
where:
Base-Base interactions energy: -377.755
where: short stacking energy: -182.487
Base-Backbone interact. energy: -2.003
local terms energy: -195.519963
where:
bonds (distance) C4'-P energy: -36.069
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -43.057
flat angles P-C4'-P energy: -31.666
tors. eta vs tors. theta energy: -62.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -546.627028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.627028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.627028 (E_RNA)
where:
Base-Base interactions energy: -358.715
where: short stacking energy: -154.258
Base-Backbone interact. energy: -0.406
local terms energy: -187.506236
where:
bonds (distance) C4'-P energy: -43.240
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -43.236
flat angles P-C4'-P energy: -26.647
tors. eta vs tors. theta energy: -39.553
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: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -487.891148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.891148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.891148 (E_RNA)
where:
Base-Base interactions energy: -310.719
where: short stacking energy: -137.954
Base-Backbone interact. energy: -0.876
local terms energy: -176.295892
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -38.646
flat angles C4'-P-C4' energy: -45.165
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -38.421
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: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -418.240982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.240982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.240982 (E_RNA)
where:
Base-Base interactions energy: -247.095
where: short stacking energy: -127.014
Base-Backbone interact. energy: -0.393
local terms energy: -170.753587
where:
bonds (distance) C4'-P energy: -42.682
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -41.026
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -36.702
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: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -405.833229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.833229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.833229 (E_RNA)
where:
Base-Base interactions energy: -256.571
where: short stacking energy: -101.869
Base-Backbone interact. energy: 0.951
local terms energy: -150.213091
where:
bonds (distance) C4'-P energy: -40.686
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -209.540501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.540501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.540501 (E_RNA)
where:
Base-Base interactions energy: -77.261
where: short stacking energy: -53.362
Base-Backbone interact. energy: -0.327
local terms energy: -131.952397
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -42.185
flat angles C4'-P-C4' energy: -35.546
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: 1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -194.794826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.794826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.794826 (E_RNA)
where:
Base-Base interactions energy: -74.687
where: short stacking energy: -63.666
Base-Backbone interact. energy: 0.028
local terms energy: -120.135593
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -30.115
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -176.726995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.726995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.726995 (E_RNA)
where:
Base-Base interactions energy: -56.900
where: short stacking energy: -45.160
Base-Backbone interact. energy: 0.101
local terms energy: -119.927184
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -31.498
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -7.190
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: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -654.936752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.936752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.936752 (E_RNA)
where:
Base-Base interactions energy: -445.155
where: short stacking energy: -184.590
Base-Backbone interact. energy: -0.067
local terms energy: -209.715167
where:
bonds (distance) C4'-P energy: -43.823
bonds (distance) P-C4' energy: -43.868
flat angles C4'-P-C4' energy: -41.059
flat angles P-C4'-P energy: -31.844
tors. eta vs tors. theta energy: -49.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -640.967304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.967304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.967304 (E_RNA)
where:
Base-Base interactions energy: -435.339
where: short stacking energy: -190.485
Base-Backbone interact. energy: 3.004
local terms energy: -208.632805
where:
bonds (distance) C4'-P energy: -31.476
bonds (distance) P-C4' energy: -44.908
flat angles C4'-P-C4' energy: -44.593
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: -54.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -579.619937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.619937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.619937 (E_RNA)
where:
Base-Base interactions energy: -364.398
where: short stacking energy: -171.707
Base-Backbone interact. energy: -0.276
local terms energy: -214.946236
where:
bonds (distance) C4'-P energy: -42.646
bonds (distance) P-C4' energy: -41.969
flat angles C4'-P-C4' energy: -44.611
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -58.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -576.270174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.270174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.270174 (E_RNA)
where:
Base-Base interactions energy: -394.414
where: short stacking energy: -174.419
Base-Backbone interact. energy: -0.528
local terms energy: -181.328241
where:
bonds (distance) C4'-P energy: -34.236
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -39.005
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: -48.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -515.440078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.440078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.440078 (E_RNA)
where:
Base-Base interactions energy: -327.870
where: short stacking energy: -150.924
Base-Backbone interact. energy: -0.314
local terms energy: -187.255942
where:
bonds (distance) C4'-P energy: -44.355
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -32.543
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -45.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -366.684486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.684486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.684486 (E_RNA)
where:
Base-Base interactions energy: -209.334
where: short stacking energy: -114.019
Base-Backbone interact. energy: -0.447
local terms energy: -156.903685
where:
bonds (distance) C4'-P energy: -38.203
bonds (distance) P-C4' energy: -30.256
flat angles C4'-P-C4' energy: -42.421
flat angles P-C4'-P energy: -29.029
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -361.094710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.094710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.094710 (E_RNA)
where:
Base-Base interactions energy: -227.153
where: short stacking energy: -111.341
Base-Backbone interact. energy: -0.485
local terms energy: -133.456667
where:
bonds (distance) C4'-P energy: -32.814
bonds (distance) P-C4' energy: -32.483
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -22.772
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: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -207.452514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.452514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.452514 (E_RNA)
where:
Base-Base interactions energy: -78.104
where: short stacking energy: -45.408
Base-Backbone interact. energy: -0.788
local terms energy: -128.561202
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -37.566
flat angles C4'-P-C4' energy: -36.147
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: 0.298
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: 78
Temperature: 1.300000
Total energy: -170.455889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.455889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.455889 (E_RNA)
where:
Base-Base interactions energy: -53.260
where: short stacking energy: -52.901
Base-Backbone interact. energy: 1.871
local terms energy: -119.066780
where:
bonds (distance) C4'-P energy: -37.514
bonds (distance) P-C4' energy: -32.794
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -15.653
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: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -179.387228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.387228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.387228 (E_RNA)
where:
Base-Base interactions energy: -57.743
where: short stacking energy: -57.052
Base-Backbone interact. energy: 0.941
local terms energy: -122.584863
where:
bonds (distance) C4'-P energy: -34.053
bonds (distance) P-C4' energy: -39.898
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -657.487716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.487716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.487716 (E_RNA)
where:
Base-Base interactions energy: -449.862
where: short stacking energy: -182.205
Base-Backbone interact. energy: 0.106
local terms energy: -207.731248
where:
bonds (distance) C4'-P energy: -43.336
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -42.744
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: -51.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -642.437979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.437979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.437979 (E_RNA)
where:
Base-Base interactions energy: -433.949
where: short stacking energy: -188.393
Base-Backbone interact. energy: -1.109
local terms energy: -207.379725
where:
bonds (distance) C4'-P energy: -36.642
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -46.143
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -55.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -552.829699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.829699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.829699 (E_RNA)
where:
Base-Base interactions energy: -357.434
where: short stacking energy: -168.635
Base-Backbone interact. energy: -1.407
local terms energy: -193.988406
where:
bonds (distance) C4'-P energy: -40.922
bonds (distance) P-C4' energy: -34.628
flat angles C4'-P-C4' energy: -45.855
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -47.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -564.092219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.092219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.092219 (E_RNA)
where:
Base-Base interactions energy: -371.481
where: short stacking energy: -162.573
Base-Backbone interact. energy: -1.409
local terms energy: -191.201849
where:
bonds (distance) C4'-P energy: -40.120
bonds (distance) P-C4' energy: -40.738
flat angles C4'-P-C4' energy: -36.156
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -47.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -484.299477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.299477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.299477 (E_RNA)
where:
Base-Base interactions energy: -309.437
where: short stacking energy: -139.393
Base-Backbone interact. energy: -0.462
local terms energy: -174.400513
where:
bonds (distance) C4'-P energy: -28.584
bonds (distance) P-C4' energy: -42.231
flat angles C4'-P-C4' energy: -37.959
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -40.494
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: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -384.568839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.568839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.568839 (E_RNA)
where:
Base-Base interactions energy: -226.722
where: short stacking energy: -115.031
Base-Backbone interact. energy: 0.120
local terms energy: -157.966762
where:
bonds (distance) C4'-P energy: -36.730
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -32.007
flat angles P-C4'-P energy: -23.959
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: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -362.055111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.055111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.055111 (E_RNA)
where:
Base-Base interactions energy: -210.833
where: short stacking energy: -94.250
Base-Backbone interact. energy: -2.136
local terms energy: -149.086070
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -35.455
flat angles C4'-P-C4' energy: -33.539
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: -23.785
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: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -209.769232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.769232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.769232 (E_RNA)
where:
Base-Base interactions energy: -85.203
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.984
local terms energy: -123.582327
where:
bonds (distance) C4'-P energy: -36.376
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: 0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -177.362756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.362756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.362756 (E_RNA)
where:
Base-Base interactions energy: -61.819
where: short stacking energy: -44.516
Base-Backbone interact. energy: 2.984
local terms energy: -118.527358
where:
bonds (distance) C4'-P energy: -29.174
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -22.800
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -178.200733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.200733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.200733 (E_RNA)
where:
Base-Base interactions energy: -58.204
where: short stacking energy: -48.194
Base-Backbone interact. energy: 1.210
local terms energy: -121.207285
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -26.941
flat angles P-C4'-P energy: -26.830
tors. eta vs tors. theta energy: 4.261
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: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -658.090057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.090057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.090057 (E_RNA)
where:
Base-Base interactions energy: -449.628
where: short stacking energy: -190.523
Base-Backbone interact. energy: 3.482
local terms energy: -211.943916
where:
bonds (distance) C4'-P energy: -45.900
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -44.670
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -57.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -644.851269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.851269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.851269 (E_RNA)
where:
Base-Base interactions energy: -440.666
where: short stacking energy: -179.182
Base-Backbone interact. energy: 0.436
local terms energy: -204.620722
where:
bonds (distance) C4'-P energy: -39.401
bonds (distance) P-C4' energy: -43.957
flat angles C4'-P-C4' energy: -39.584
flat angles P-C4'-P energy: -31.392
tors. eta vs tors. theta energy: -50.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -570.216315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.216315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.216315 (E_RNA)
where:
Base-Base interactions energy: -370.000
where: short stacking energy: -179.773
Base-Backbone interact. energy: -0.190
local terms energy: -200.026907
where:
bonds (distance) C4'-P energy: -35.392
bonds (distance) P-C4' energy: -41.620
flat angles C4'-P-C4' energy: -44.886
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -59.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -553.470215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.470215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.470215 (E_RNA)
where:
Base-Base interactions energy: -368.540
where: short stacking energy: -144.164
Base-Backbone interact. energy: -0.421
local terms energy: -184.509512
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -38.324
flat angles C4'-P-C4' energy: -36.644
flat angles P-C4'-P energy: -28.587
tors. eta vs tors. theta energy: -39.577
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: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -505.907788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.907788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.907788 (E_RNA)
where:
Base-Base interactions energy: -333.178
where: short stacking energy: -153.905
Base-Backbone interact. energy: 1.554
local terms energy: -174.284406
where:
bonds (distance) C4'-P energy: -30.554
bonds (distance) P-C4' energy: -33.249
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -29.513
tors. eta vs tors. theta energy: -47.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -413.379097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.379097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.379097 (E_RNA)
where:
Base-Base interactions energy: -244.961
where: short stacking energy: -121.852
Base-Backbone interact. energy: -0.817
local terms energy: -167.600246
where:
bonds (distance) C4'-P energy: -31.996
bonds (distance) P-C4' energy: -35.769
flat angles C4'-P-C4' energy: -41.937
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -37.792
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: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -360.474558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.474558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.474558 (E_RNA)
where:
Base-Base interactions energy: -218.679
where: short stacking energy: -92.258
Base-Backbone interact. energy: 2.272
local terms energy: -144.067339
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -39.501
flat angles C4'-P-C4' energy: -38.761
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -192.178453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.178453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.178453 (E_RNA)
where:
Base-Base interactions energy: -72.634
where: short stacking energy: -36.323
Base-Backbone interact. energy: 3.052
local terms energy: -122.596323
where:
bonds (distance) C4'-P energy: -38.560
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -31.799
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: 2.663
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: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -200.149556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.149556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.149556 (E_RNA)
where:
Base-Base interactions energy: -86.600
where: short stacking energy: -59.724
Base-Backbone interact. energy: -1.492
local terms energy: -112.057945
where:
bonds (distance) C4'-P energy: -35.321
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -175.211004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.211004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.211004 (E_RNA)
where:
Base-Base interactions energy: -60.296
where: short stacking energy: -54.210
Base-Backbone interact. energy: 1.358
local terms energy: -116.272679
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -41.295
flat angles C4'-P-C4' energy: -28.341
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -3.887
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: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -657.115430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.115430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.115430 (E_RNA)
where:
Base-Base interactions energy: -449.022
where: short stacking energy: -188.813
Base-Backbone interact. energy: -2.061
local terms energy: -206.031644
where:
bonds (distance) C4'-P energy: -40.799
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -27.105
tors. eta vs tors. theta energy: -57.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -619.159638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.159638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.159638 (E_RNA)
where:
Base-Base interactions energy: -423.624
where: short stacking energy: -170.951
Base-Backbone interact. energy: -1.112
local terms energy: -194.423863
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -39.949
flat angles C4'-P-C4' energy: -41.630
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: -45.364
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: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -559.110629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.110629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.110629 (E_RNA)
where:
Base-Base interactions energy: -358.784
where: short stacking energy: -162.758
Base-Backbone interact. energy: -0.810
local terms energy: -199.516576
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -45.715
flat angles C4'-P-C4' energy: -40.785
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -52.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -587.601648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.601648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.601648 (E_RNA)
where:
Base-Base interactions energy: -390.467
where: short stacking energy: -166.137
Base-Backbone interact. energy: 1.453
local terms energy: -198.587064
where:
bonds (distance) C4'-P energy: -37.347
bonds (distance) P-C4' energy: -40.154
flat angles C4'-P-C4' energy: -42.791
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -47.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -493.061815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.061815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.061815 (E_RNA)
where:
Base-Base interactions energy: -307.085
where: short stacking energy: -153.480
Base-Backbone interact. energy: -0.601
local terms energy: -185.375701
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -44.073
flat angles P-C4'-P energy: -30.281
tors. eta vs tors. theta energy: -44.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -404.307783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.307783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.307783 (E_RNA)
where:
Base-Base interactions energy: -244.164
where: short stacking energy: -121.979
Base-Backbone interact. energy: -0.846
local terms energy: -159.297743
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -38.975
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -24.361
tors. eta vs tors. theta energy: -31.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -386.730492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.730492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.730492 (E_RNA)
where:
Base-Base interactions energy: -222.873
where: short stacking energy: -109.886
Base-Backbone interact. energy: -1.312
local terms energy: -162.545481
where:
bonds (distance) C4'-P energy: -38.089
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -37.562
flat angles P-C4'-P energy: -19.300
tors. eta vs tors. theta energy: -24.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -204.789203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.789203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.789203 (E_RNA)
where:
Base-Base interactions energy: -87.826
where: short stacking energy: -47.806
Base-Backbone interact. energy: 0.553
local terms energy: -117.516221
where:
bonds (distance) C4'-P energy: -34.856
bonds (distance) P-C4' energy: -32.944
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -19.625
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -191.849300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.849300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.849300 (E_RNA)
where:
Base-Base interactions energy: -81.440
where: short stacking energy: -44.876
Base-Backbone interact. energy: 2.108
local terms energy: -112.517603
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -33.860
flat angles C4'-P-C4' energy: -38.132
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: 6.358
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: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -158.867358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.867358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.867358 (E_RNA)
where:
Base-Base interactions energy: -59.261
where: short stacking energy: -43.596
Base-Backbone interact. energy: -0.251
local terms energy: -99.356172
where:
bonds (distance) C4'-P energy: -32.319
bonds (distance) P-C4' energy: -38.265
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -13.278
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: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -659.903586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.903586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.903586 (E_RNA)
where:
Base-Base interactions energy: -440.892
where: short stacking energy: -184.507
Base-Backbone interact. energy: -1.397
local terms energy: -217.614025
where:
bonds (distance) C4'-P energy: -41.007
bonds (distance) P-C4' energy: -39.102
flat angles C4'-P-C4' energy: -45.801
flat angles P-C4'-P energy: -32.902
tors. eta vs tors. theta energy: -58.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -673.789776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.789776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.789776 (E_RNA)
where:
Base-Base interactions energy: -476.311
where: short stacking energy: -192.543
Base-Backbone interact. energy: -1.126
local terms energy: -196.352615
where:
bonds (distance) C4'-P energy: -38.661
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -42.148
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -54.246
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: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -574.066480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.066480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.066480 (E_RNA)
where:
Base-Base interactions energy: -363.268
where: short stacking energy: -151.889
Base-Backbone interact. energy: 1.981
local terms energy: -212.779579
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -38.941
flat angles C4'-P-C4' energy: -42.528
flat angles P-C4'-P energy: -34.010
tors. eta vs tors. theta energy: -55.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -577.717256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.717256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.717256 (E_RNA)
where:
Base-Base interactions energy: -391.805
where: short stacking energy: -155.091
Base-Backbone interact. energy: -1.004
local terms energy: -184.908680
where:
bonds (distance) C4'-P energy: -35.619
bonds (distance) P-C4' energy: -38.864
flat angles C4'-P-C4' energy: -42.743
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -44.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -474.930623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.930623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.930623 (E_RNA)
where:
Base-Base interactions energy: -295.139
where: short stacking energy: -136.363
Base-Backbone interact. energy: -0.333
local terms energy: -179.459028
where:
bonds (distance) C4'-P energy: -35.786
bonds (distance) P-C4' energy: -40.954
flat angles C4'-P-C4' energy: -38.799
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -40.318
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: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -399.000479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.000479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.000479 (E_RNA)
where:
Base-Base interactions energy: -249.129
where: short stacking energy: -119.131
Base-Backbone interact. energy: 0.743
local terms energy: -150.614397
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -32.993
flat angles C4'-P-C4' energy: -41.844
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -25.442
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: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -368.757728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.757728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.757728 (E_RNA)
where:
Base-Base interactions energy: -215.177
where: short stacking energy: -110.256
Base-Backbone interact. energy: -0.376
local terms energy: -153.204480
where:
bonds (distance) C4'-P energy: -36.512
bonds (distance) P-C4' energy: -40.023
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -25.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -233.138371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.138371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.138371 (E_RNA)
where:
Base-Base interactions energy: -98.096
where: short stacking energy: -70.180
Base-Backbone interact. energy: -0.397
local terms energy: -134.645103
where:
bonds (distance) C4'-P energy: -42.289
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -183.399346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.399346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.399346 (E_RNA)
where:
Base-Base interactions energy: -53.524
where: short stacking energy: -53.524
Base-Backbone interact. energy: 1.623
local terms energy: -131.498318
where:
bonds (distance) C4'-P energy: -38.259
bonds (distance) P-C4' energy: -36.829
flat angles C4'-P-C4' energy: -32.859
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -187.788240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.788240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.788240 (E_RNA)
where:
Base-Base interactions energy: -69.034
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.435
local terms energy: -118.319291
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -40.103
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: 0.411
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: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -659.869370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.869370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.869370 (E_RNA)
where:
Base-Base interactions energy: -447.097
where: short stacking energy: -190.687
Base-Backbone interact. energy: -0.401
local terms energy: -212.371472
where:
bonds (distance) C4'-P energy: -39.950
bonds (distance) P-C4' energy: -44.554
flat angles C4'-P-C4' energy: -42.526
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -50.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -664.897746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.897746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.897746 (E_RNA)
where:
Base-Base interactions energy: -456.858
where: short stacking energy: -182.238
Base-Backbone interact. energy: 0.225
local terms energy: -208.265517
where:
bonds (distance) C4'-P energy: -41.222
bonds (distance) P-C4' energy: -43.064
flat angles C4'-P-C4' energy: -40.056
flat angles P-C4'-P energy: -30.350
tors. eta vs tors. theta energy: -53.573
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: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -577.252660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.252660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.252660 (E_RNA)
where:
Base-Base interactions energy: -385.780
where: short stacking energy: -186.577
Base-Backbone interact. energy: -0.593
local terms energy: -190.879130
where:
bonds (distance) C4'-P energy: -34.684
bonds (distance) P-C4' energy: -28.968
flat angles C4'-P-C4' energy: -41.968
flat angles P-C4'-P energy: -31.668
tors. eta vs tors. theta energy: -53.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -591.225821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.225821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.225821 (E_RNA)
where:
Base-Base interactions energy: -405.456
where: short stacking energy: -151.038
Base-Backbone interact. energy: -1.317
local terms energy: -184.452909
where:
bonds (distance) C4'-P energy: -36.914
bonds (distance) P-C4' energy: -39.238
flat angles C4'-P-C4' energy: -42.046
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -45.236
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: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -478.142762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.142762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.142762 (E_RNA)
where:
Base-Base interactions energy: -321.832
where: short stacking energy: -125.702
Base-Backbone interact. energy: 0.628
local terms energy: -156.938196
where:
bonds (distance) C4'-P energy: -37.136
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -32.888
flat angles P-C4'-P energy: -20.975
tors. eta vs tors. theta energy: -35.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -385.529563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.529563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.529563 (E_RNA)
where:
Base-Base interactions energy: -214.658
where: short stacking energy: -112.009
Base-Backbone interact. energy: -1.361
local terms energy: -169.511043
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -30.304
flat angles C4'-P-C4' energy: -42.159
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -31.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -401.687070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.687070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.687070 (E_RNA)
where:
Base-Base interactions energy: -246.177
where: short stacking energy: -107.683
Base-Backbone interact. energy: -0.313
local terms energy: -155.196602
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -32.958
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -186.831455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.831455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.831455 (E_RNA)
where:
Base-Base interactions energy: -52.206
where: short stacking energy: -43.575
Base-Backbone interact. energy: 1.754
local terms energy: -136.380035
where:
bonds (distance) C4'-P energy: -35.806
bonds (distance) P-C4' energy: -37.869
flat angles C4'-P-C4' energy: -36.256
flat angles P-C4'-P energy: -26.328
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -207.132704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.132704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.132704 (E_RNA)
where:
Base-Base interactions energy: -93.093
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.249
local terms energy: -113.790885
where:
bonds (distance) C4'-P energy: -28.036
bonds (distance) P-C4' energy: -38.936
flat angles C4'-P-C4' energy: -28.773
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -187.966728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.966728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.966728 (E_RNA)
where:
Base-Base interactions energy: -57.080
where: short stacking energy: -57.680
Base-Backbone interact. energy: 1.085
local terms energy: -131.971264
where:
bonds (distance) C4'-P energy: -33.236
bonds (distance) P-C4' energy: -41.866
flat angles C4'-P-C4' energy: -31.656
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -680.785995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.785995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.785995 (E_RNA)
where:
Base-Base interactions energy: -464.812
where: short stacking energy: -190.048
Base-Backbone interact. energy: 0.264
local terms energy: -216.238182
where:
bonds (distance) C4'-P energy: -36.975
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -47.671
flat angles P-C4'-P energy: -34.004
tors. eta vs tors. theta energy: -57.661
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: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -644.697317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.697317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.697317 (E_RNA)
where:
Base-Base interactions energy: -448.036
where: short stacking energy: -198.461
Base-Backbone interact. energy: -0.563
local terms energy: -196.098024
where:
bonds (distance) C4'-P energy: -34.560
bonds (distance) P-C4' energy: -40.358
flat angles C4'-P-C4' energy: -36.081
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: -57.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -600.082496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.082496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.082496 (E_RNA)
where:
Base-Base interactions energy: -408.593
where: short stacking energy: -161.732
Base-Backbone interact. energy: -1.149
local terms energy: -190.340411
where:
bonds (distance) C4'-P energy: -31.996
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -34.055
tors. eta vs tors. theta energy: -48.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -551.468753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.468753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.468753 (E_RNA)
where:
Base-Base interactions energy: -369.358
where: short stacking energy: -181.831
Base-Backbone interact. energy: -0.531
local terms energy: -181.579798
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -31.229
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -25.416
tors. eta vs tors. theta energy: -49.557
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: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -507.593794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.593794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.593794 (E_RNA)
where:
Base-Base interactions energy: -331.453
where: short stacking energy: -157.970
Base-Backbone interact. energy: -0.857
local terms energy: -175.284228
where:
bonds (distance) C4'-P energy: -38.532
bonds (distance) P-C4' energy: -38.493
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -44.479
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: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -391.440112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.440112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.440112 (E_RNA)
where:
Base-Base interactions energy: -228.145
where: short stacking energy: -118.377
Base-Backbone interact. energy: 1.470
local terms energy: -164.765584
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -25.849
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -399.967856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.967856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.967856 (E_RNA)
where:
Base-Base interactions energy: -238.212
where: short stacking energy: -117.745
Base-Backbone interact. energy: 1.170
local terms energy: -162.926169
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -36.680
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -33.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -219.554367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.554367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.554367 (E_RNA)
where:
Base-Base interactions energy: -105.250
where: short stacking energy: -65.066
Base-Backbone interact. energy: -0.292
local terms energy: -114.012873
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -5.600
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: 84
Temperature: 1.300000
Total energy: -188.733217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.733217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.733217 (E_RNA)
where:
Base-Base interactions energy: -100.101
where: short stacking energy: -64.424
Base-Backbone interact. energy: 0.892
local terms energy: -89.524672
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -29.842
flat angles C4'-P-C4' energy: -24.056
flat angles P-C4'-P energy: -18.221
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: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -197.889298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.889298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.889298 (E_RNA)
where:
Base-Base interactions energy: -88.590
where: short stacking energy: -67.130
Base-Backbone interact. energy: 2.737
local terms energy: -112.036218
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -698.798750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.798750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.798750 (E_RNA)
where:
Base-Base interactions energy: -494.180
where: short stacking energy: -193.236
Base-Backbone interact. energy: -1.910
local terms energy: -202.708483
where:
bonds (distance) C4'-P energy: -31.750
bonds (distance) P-C4' energy: -42.168
flat angles C4'-P-C4' energy: -47.437
flat angles P-C4'-P energy: -23.432
tors. eta vs tors. theta energy: -57.923
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: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -624.630241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.630241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.630241 (E_RNA)
where:
Base-Base interactions energy: -417.115
where: short stacking energy: -183.517
Base-Backbone interact. energy: -1.042
local terms energy: -206.473428
where:
bonds (distance) C4'-P energy: -41.007
bonds (distance) P-C4' energy: -38.211
flat angles C4'-P-C4' energy: -44.415
flat angles P-C4'-P energy: -30.022
tors. eta vs tors. theta energy: -52.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -607.942018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.942018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.942018 (E_RNA)
where:
Base-Base interactions energy: -407.629
where: short stacking energy: -158.746
Base-Backbone interact. energy: -1.561
local terms energy: -198.752331
where:
bonds (distance) C4'-P energy: -45.504
bonds (distance) P-C4' energy: -37.355
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -27.440
tors. eta vs tors. theta energy: -46.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -571.502851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.502851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.502851 (E_RNA)
where:
Base-Base interactions energy: -365.353
where: short stacking energy: -179.511
Base-Backbone interact. energy: -0.100
local terms energy: -206.050241
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -30.084
tors. eta vs tors. theta energy: -57.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -502.690460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.690460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.690460 (E_RNA)
where:
Base-Base interactions energy: -319.909
where: short stacking energy: -154.587
Base-Backbone interact. energy: 0.194
local terms energy: -182.975439
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -44.952
flat angles C4'-P-C4' energy: -38.797
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -43.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -381.939657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.939657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.939657 (E_RNA)
where:
Base-Base interactions energy: -219.908
where: short stacking energy: -111.385
Base-Backbone interact. energy: 0.577
local terms energy: -162.607933
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -37.043
flat angles C4'-P-C4' energy: -37.989
flat angles P-C4'-P energy: -27.230
tors. eta vs tors. theta energy: -30.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -371.158585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.158585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.158585 (E_RNA)
where:
Base-Base interactions energy: -217.928
where: short stacking energy: -108.404
Base-Backbone interact. energy: 2.478
local terms energy: -155.708847
where:
bonds (distance) C4'-P energy: -38.236
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -28.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -197.511370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.511370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.511370 (E_RNA)
where:
Base-Base interactions energy: -77.868
where: short stacking energy: -64.015
Base-Backbone interact. energy: -0.850
local terms energy: -118.794226
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -0.945
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: 85
Temperature: 1.300000
Total energy: -180.092642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.092642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.092642 (E_RNA)
where:
Base-Base interactions energy: -64.657
where: short stacking energy: -52.768
Base-Backbone interact. energy: 0.214
local terms energy: -115.649514
where:
bonds (distance) C4'-P energy: -34.773
bonds (distance) P-C4' energy: -32.998
flat angles C4'-P-C4' energy: -32.739
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: 0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -177.277761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.277761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.277761 (E_RNA)
where:
Base-Base interactions energy: -48.262
where: short stacking energy: -43.658
Base-Backbone interact. energy: -0.450
local terms energy: -128.565513
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -36.623
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -711.838239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.838239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.838239 (E_RNA)
where:
Base-Base interactions energy: -484.990
where: short stacking energy: -190.652
Base-Backbone interact. energy: -0.927
local terms energy: -225.921393
where:
bonds (distance) C4'-P energy: -41.777
bonds (distance) P-C4' energy: -43.030
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -32.074
tors. eta vs tors. theta energy: -59.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -653.633718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.633718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.633718 (E_RNA)
where:
Base-Base interactions energy: -437.043
where: short stacking energy: -197.974
Base-Backbone interact. energy: -0.503
local terms energy: -216.087804
where:
bonds (distance) C4'-P energy: -44.124
bonds (distance) P-C4' energy: -38.240
flat angles C4'-P-C4' energy: -41.229
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -59.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -607.443152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.443152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.443152 (E_RNA)
where:
Base-Base interactions energy: -428.163
where: short stacking energy: -169.517
Base-Backbone interact. energy: -0.702
local terms energy: -178.578340
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -38.191
flat angles C4'-P-C4' energy: -38.013
flat angles P-C4'-P energy: -27.303
tors. eta vs tors. theta energy: -46.191
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: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -554.979522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.979522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.979522 (E_RNA)
where:
Base-Base interactions energy: -355.828
where: short stacking energy: -171.648
Base-Backbone interact. energy: -1.334
local terms energy: -197.817438
where:
bonds (distance) C4'-P energy: -41.573
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -39.923
flat angles P-C4'-P energy: -28.589
tors. eta vs tors. theta energy: -53.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -500.076979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.076979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.076979 (E_RNA)
where:
Base-Base interactions energy: -327.195
where: short stacking energy: -137.776
Base-Backbone interact. energy: -1.696
local terms energy: -171.186673
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -35.623
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: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -401.741233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.741233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.741233 (E_RNA)
where:
Base-Base interactions energy: -245.597
where: short stacking energy: -110.059
Base-Backbone interact. energy: -2.839
local terms energy: -153.304759
where:
bonds (distance) C4'-P energy: -38.862
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -34.629
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -361.419617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.419617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.419617 (E_RNA)
where:
Base-Base interactions energy: -223.437
where: short stacking energy: -110.564
Base-Backbone interact. energy: -0.629
local terms energy: -137.354351
where:
bonds (distance) C4'-P energy: -25.490
bonds (distance) P-C4' energy: -37.349
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -201.014115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.014115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.014115 (E_RNA)
where:
Base-Base interactions energy: -74.888
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.602
local terms energy: -125.523711
where:
bonds (distance) C4'-P energy: -32.849
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -237.778703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.778703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.778703 (E_RNA)
where:
Base-Base interactions energy: -117.781
where: short stacking energy: -55.489
Base-Backbone interact. energy: -1.094
local terms energy: -118.903846
where:
bonds (distance) C4'-P energy: -38.244
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -176.988175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.988175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.988175 (E_RNA)
where:
Base-Base interactions energy: -59.649
where: short stacking energy: -45.902
Base-Backbone interact. energy: -0.836
local terms energy: -116.503811
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: 8.908
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: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -705.321106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.321106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.321106 (E_RNA)
where:
Base-Base interactions energy: -478.920
where: short stacking energy: -191.020
Base-Backbone interact. energy: -0.991
local terms energy: -225.410103
where:
bonds (distance) C4'-P energy: -43.081
bonds (distance) P-C4' energy: -43.873
flat angles C4'-P-C4' energy: -48.418
flat angles P-C4'-P energy: -27.833
tors. eta vs tors. theta energy: -62.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -635.353773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.353773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.353773 (E_RNA)
where:
Base-Base interactions energy: -433.350
where: short stacking energy: -175.424
Base-Backbone interact. energy: -0.471
local terms energy: -201.532686
where:
bonds (distance) C4'-P energy: -35.256
bonds (distance) P-C4' energy: -47.075
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -32.893
tors. eta vs tors. theta energy: -43.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -616.065579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.065579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.065579 (E_RNA)
where:
Base-Base interactions energy: -416.581
where: short stacking energy: -175.850
Base-Backbone interact. energy: -1.182
local terms energy: -198.302682
where:
bonds (distance) C4'-P energy: -34.760
bonds (distance) P-C4' energy: -42.553
flat angles C4'-P-C4' energy: -39.301
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -50.914
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: 87
Temperature: 1.050000
Total energy: -564.552256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.552256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.552256 (E_RNA)
where:
Base-Base interactions energy: -374.425
where: short stacking energy: -167.308
Base-Backbone interact. energy: -0.325
local terms energy: -189.801934
where:
bonds (distance) C4'-P energy: -35.207
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -40.009
flat angles P-C4'-P energy: -30.603
tors. eta vs tors. theta energy: -54.032
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: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -489.359114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.359114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.359114 (E_RNA)
where:
Base-Base interactions energy: -309.624
where: short stacking energy: -132.463
Base-Backbone interact. energy: 0.609
local terms energy: -180.344297
where:
bonds (distance) C4'-P energy: -34.614
bonds (distance) P-C4' energy: -40.295
flat angles C4'-P-C4' energy: -37.325
flat angles P-C4'-P energy: -26.581
tors. eta vs tors. theta energy: -41.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -407.937711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.937711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.937711 (E_RNA)
where:
Base-Base interactions energy: -246.078
where: short stacking energy: -130.505
Base-Backbone interact. energy: -0.305
local terms energy: -161.554639
where:
bonds (distance) C4'-P energy: -36.937
bonds (distance) P-C4' energy: -38.566
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -34.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -387.959287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.959287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.959287 (E_RNA)
where:
Base-Base interactions energy: -242.432
where: short stacking energy: -117.596
Base-Backbone interact. energy: -0.853
local terms energy: -144.673796
where:
bonds (distance) C4'-P energy: -28.582
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -27.457
tors. eta vs tors. theta energy: -23.635
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: 87
Temperature: 1.250000
Total energy: -262.320717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.320717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.320717 (E_RNA)
where:
Base-Base interactions energy: -148.765
where: short stacking energy: -66.308
Base-Backbone interact. energy: 2.133
local terms energy: -115.689306
where:
bonds (distance) C4'-P energy: -33.199
bonds (distance) P-C4' energy: -26.531
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -8.336
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: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -182.605759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.605759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.605759 (E_RNA)
where:
Base-Base interactions energy: -88.910
where: short stacking energy: -71.942
Base-Backbone interact. energy: 7.162
local terms energy: -100.857793
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -32.144
flat angles C4'-P-C4' energy: -29.186
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -177.493341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.493341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.493341 (E_RNA)
where:
Base-Base interactions energy: -61.146
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.286
local terms energy: -116.061408
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -36.183
flat angles C4'-P-C4' energy: -32.631
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: 9.699
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: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -691.449089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.449089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.449089 (E_RNA)
where:
Base-Base interactions energy: -470.864
where: short stacking energy: -192.123
Base-Backbone interact. energy: -0.782
local terms energy: -219.803723
where:
bonds (distance) C4'-P energy: -44.540
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -46.616
flat angles P-C4'-P energy: -27.773
tors. eta vs tors. theta energy: -61.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -619.303726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.303726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.303726 (E_RNA)
where:
Base-Base interactions energy: -422.670
where: short stacking energy: -167.433
Base-Backbone interact. energy: -1.676
local terms energy: -194.958016
where:
bonds (distance) C4'-P energy: -39.503
bonds (distance) P-C4' energy: -38.298
flat angles C4'-P-C4' energy: -41.076
flat angles P-C4'-P energy: -31.158
tors. eta vs tors. theta energy: -44.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -628.621117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.621117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.621117 (E_RNA)
where:
Base-Base interactions energy: -423.535
where: short stacking energy: -183.155
Base-Backbone interact. energy: -2.122
local terms energy: -202.963632
where:
bonds (distance) C4'-P energy: -37.200
bonds (distance) P-C4' energy: -42.499
flat angles C4'-P-C4' energy: -40.840
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -55.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -558.863205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.863205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.863205 (E_RNA)
where:
Base-Base interactions energy: -360.132
where: short stacking energy: -173.926
Base-Backbone interact. energy: -1.232
local terms energy: -197.499206
where:
bonds (distance) C4'-P energy: -30.785
bonds (distance) P-C4' energy: -44.435
flat angles C4'-P-C4' energy: -44.868
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -53.100
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: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -531.826588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.826588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.826588 (E_RNA)
where:
Base-Base interactions energy: -342.627
where: short stacking energy: -152.702
Base-Backbone interact. energy: -1.299
local terms energy: -187.900214
where:
bonds (distance) C4'-P energy: -38.345
bonds (distance) P-C4' energy: -37.355
flat angles C4'-P-C4' energy: -36.231
flat angles P-C4'-P energy: -31.144
tors. eta vs tors. theta energy: -44.826
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: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -412.856984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.856984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.856984 (E_RNA)
where:
Base-Base interactions energy: -247.295
where: short stacking energy: -117.278
Base-Backbone interact. energy: -1.399
local terms energy: -164.162506
where:
bonds (distance) C4'-P energy: -36.903
bonds (distance) P-C4' energy: -33.221
flat angles C4'-P-C4' energy: -38.644
flat angles P-C4'-P energy: -28.967
tors. eta vs tors. theta energy: -26.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -356.096693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.096693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.096693 (E_RNA)
where:
Base-Base interactions energy: -223.177
where: short stacking energy: -101.825
Base-Backbone interact. energy: -0.961
local terms energy: -131.958516
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -28.172
flat angles C4'-P-C4' energy: -36.116
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -302.116403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.116403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.116403 (E_RNA)
where:
Base-Base interactions energy: -150.831
where: short stacking energy: -77.329
Base-Backbone interact. energy: 1.827
local terms energy: -153.112583
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -39.147
flat angles C4'-P-C4' energy: -38.034
flat angles P-C4'-P energy: -20.315
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -177.426618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.426618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.426618 (E_RNA)
where:
Base-Base interactions energy: -56.756
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.036
local terms energy: -120.634355
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -38.995
flat angles C4'-P-C4' energy: -28.715
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -3.322
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: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -174.986768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.986768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.986768 (E_RNA)
where:
Base-Base interactions energy: -69.879
where: short stacking energy: -67.376
Base-Backbone interact. energy: 5.979
local terms energy: -111.086650
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -694.431974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.431974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.431974 (E_RNA)
where:
Base-Base interactions energy: -475.651
where: short stacking energy: -194.234
Base-Backbone interact. energy: -1.432
local terms energy: -217.348296
where:
bonds (distance) C4'-P energy: -35.946
bonds (distance) P-C4' energy: -44.143
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -27.729
tors. eta vs tors. theta energy: -61.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -638.194591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.194591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.194591 (E_RNA)
where:
Base-Base interactions energy: -430.364
where: short stacking energy: -183.073
Base-Backbone interact. energy: -2.760
local terms energy: -205.070939
where:
bonds (distance) C4'-P energy: -44.699
bonds (distance) P-C4' energy: -42.579
flat angles C4'-P-C4' energy: -41.297
flat angles P-C4'-P energy: -26.169
tors. eta vs tors. theta energy: -50.327
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: 89
Temperature: 1.000000
Total energy: -618.008999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.008999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.008999 (E_RNA)
where:
Base-Base interactions energy: -432.678
where: short stacking energy: -170.071
Base-Backbone interact. energy: -1.549
local terms energy: -183.781565
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -41.434
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -48.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -552.703995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.703995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.703995 (E_RNA)
where:
Base-Base interactions energy: -365.619
where: short stacking energy: -169.411
Base-Backbone interact. energy: 0.414
local terms energy: -187.499225
where:
bonds (distance) C4'-P energy: -35.544
bonds (distance) P-C4' energy: -34.350
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -51.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -534.274066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.274066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.274066 (E_RNA)
where:
Base-Base interactions energy: -357.636
where: short stacking energy: -163.320
Base-Backbone interact. energy: -0.599
local terms energy: -176.039140
where:
bonds (distance) C4'-P energy: -35.427
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -47.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -400.232217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.232217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.232217 (E_RNA)
where:
Base-Base interactions energy: -237.846
where: short stacking energy: -107.980
Base-Backbone interact. energy: 1.276
local terms energy: -163.662937
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -41.316
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -38.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -364.603541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.603541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.603541 (E_RNA)
where:
Base-Base interactions energy: -214.472
where: short stacking energy: -101.730
Base-Backbone interact. energy: 0.776
local terms energy: -150.907482
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -42.255
flat angles C4'-P-C4' energy: -35.077
flat angles P-C4'-P energy: -28.673
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -316.593722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.593722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.593722 (E_RNA)
where:
Base-Base interactions energy: -187.882
where: short stacking energy: -86.220
Base-Backbone interact. energy: -1.683
local terms energy: -127.028126
where:
bonds (distance) C4'-P energy: -31.714
bonds (distance) P-C4' energy: -34.370
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -222.296023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.296023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.296023 (E_RNA)
where:
Base-Base interactions energy: -96.486
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.377
local terms energy: -125.432980
where:
bonds (distance) C4'-P energy: -35.974
bonds (distance) P-C4' energy: -35.733
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -26.487
tors. eta vs tors. theta energy: -4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -173.523307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.523307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.523307 (E_RNA)
where:
Base-Base interactions energy: -47.963
where: short stacking energy: -43.046
Base-Backbone interact. energy: 1.092
local terms energy: -126.652199
where:
bonds (distance) C4'-P energy: -35.909
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -34.455
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: 1.422
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: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -679.997066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.997066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.997066 (E_RNA)
where:
Base-Base interactions energy: -464.534
where: short stacking energy: -178.394
Base-Backbone interact. energy: -0.258
local terms energy: -215.204928
where:
bonds (distance) C4'-P energy: -42.259
bonds (distance) P-C4' energy: -37.113
flat angles C4'-P-C4' energy: -44.440
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -57.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -641.640623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.640623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.640623 (E_RNA)
where:
Base-Base interactions energy: -435.147
where: short stacking energy: -185.096
Base-Backbone interact. energy: -1.030
local terms energy: -205.463368
where:
bonds (distance) C4'-P energy: -38.671
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -46.738
flat angles P-C4'-P energy: -28.796
tors. eta vs tors. theta energy: -54.207
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: 90
Temperature: 1.000000
Total energy: -613.431384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.431384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.431384 (E_RNA)
where:
Base-Base interactions energy: -443.385
where: short stacking energy: -158.875
Base-Backbone interact. energy: 4.036
local terms energy: -174.082181
where:
bonds (distance) C4'-P energy: -36.460
bonds (distance) P-C4' energy: -33.098
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -42.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -564.006089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.006089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.006089 (E_RNA)
where:
Base-Base interactions energy: -370.290
where: short stacking energy: -169.319
Base-Backbone interact. energy: -0.977
local terms energy: -192.738904
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -40.441
flat angles C4'-P-C4' energy: -40.687
flat angles P-C4'-P energy: -29.412
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: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -515.702295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.702295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.702295 (E_RNA)
where:
Base-Base interactions energy: -335.208
where: short stacking energy: -150.117
Base-Backbone interact. energy: 1.245
local terms energy: -181.739112
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -40.535
flat angles C4'-P-C4' energy: -44.645
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -41.297
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: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -393.633155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.633155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.633155 (E_RNA)
where:
Base-Base interactions energy: -233.129
where: short stacking energy: -118.019
Base-Backbone interact. energy: 0.723
local terms energy: -161.227433
where:
bonds (distance) C4'-P energy: -44.024
bonds (distance) P-C4' energy: -34.545
flat angles C4'-P-C4' energy: -33.908
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -25.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -363.034710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.034710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.034710 (E_RNA)
where:
Base-Base interactions energy: -205.940
where: short stacking energy: -101.013
Base-Backbone interact. energy: -1.592
local terms energy: -155.503073
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -32.669
flat angles C4'-P-C4' energy: -41.216
flat angles P-C4'-P energy: -27.814
tors. eta vs tors. theta energy: -22.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -323.851882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.851882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.851882 (E_RNA)
where:
Base-Base interactions energy: -206.631
where: short stacking energy: -87.532
Base-Backbone interact. energy: -1.745
local terms energy: -115.476135
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -32.577
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -9.185
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: 90
Temperature: 1.300000
Total energy: -188.584476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.584476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.584476 (E_RNA)
where:
Base-Base interactions energy: -64.788
where: short stacking energy: -59.893
Base-Backbone interact. energy: -0.502
local terms energy: -123.294170
where:
bonds (distance) C4'-P energy: -34.088
bonds (distance) P-C4' energy: -30.556
flat angles C4'-P-C4' energy: -32.598
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -167.853398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.853398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.853398 (E_RNA)
where:
Base-Base interactions energy: -55.735
where: short stacking energy: -46.203
Base-Backbone interact. energy: -1.712
local terms energy: -110.406262
where:
bonds (distance) C4'-P energy: -32.561
bonds (distance) P-C4' energy: -37.048
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -1.282
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: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -683.587066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.587066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.587066 (E_RNA)
where:
Base-Base interactions energy: -467.829
where: short stacking energy: -183.198
Base-Backbone interact. energy: -1.063
local terms energy: -214.695542
where:
bonds (distance) C4'-P energy: -45.930
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -45.993
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -54.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -613.491228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.491228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.491228 (E_RNA)
where:
Base-Base interactions energy: -433.301
where: short stacking energy: -166.740
Base-Backbone interact. energy: -0.546
local terms energy: -179.643515
where:
bonds (distance) C4'-P energy: -36.893
bonds (distance) P-C4' energy: -36.560
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -48.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -621.378659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.378659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.378659 (E_RNA)
where:
Base-Base interactions energy: -427.503
where: short stacking energy: -192.792
Base-Backbone interact. energy: -1.428
local terms energy: -192.447763
where:
bonds (distance) C4'-P energy: -37.146
bonds (distance) P-C4' energy: -35.971
flat angles C4'-P-C4' energy: -38.000
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -56.370
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: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -571.185118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.185118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.185118 (E_RNA)
where:
Base-Base interactions energy: -373.339
where: short stacking energy: -173.137
Base-Backbone interact. energy: -1.137
local terms energy: -196.709594
where:
bonds (distance) C4'-P energy: -33.179
bonds (distance) P-C4' energy: -44.820
flat angles C4'-P-C4' energy: -39.375
flat angles P-C4'-P energy: -23.868
tors. eta vs tors. theta energy: -55.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -461.411320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.411320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.411320 (E_RNA)
where:
Base-Base interactions energy: -304.347
where: short stacking energy: -135.116
Base-Backbone interact. energy: -0.761
local terms energy: -156.303299
where:
bonds (distance) C4'-P energy: -32.203
bonds (distance) P-C4' energy: -29.338
flat angles C4'-P-C4' energy: -41.563
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -28.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -399.257958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.257958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.257958 (E_RNA)
where:
Base-Base interactions energy: -235.627
where: short stacking energy: -130.770
Base-Backbone interact. energy: -0.312
local terms energy: -163.319503
where:
bonds (distance) C4'-P energy: -36.604
bonds (distance) P-C4' energy: -35.414
flat angles C4'-P-C4' energy: -42.335
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -339.739848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.739848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.739848 (E_RNA)
where:
Base-Base interactions energy: -188.836
where: short stacking energy: -105.551
Base-Backbone interact. energy: -0.579
local terms energy: -150.324478
where:
bonds (distance) C4'-P energy: -39.860
bonds (distance) P-C4' energy: -38.542
flat angles C4'-P-C4' energy: -40.679
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -19.979
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: 91
Temperature: 1.250000
Total energy: -307.541674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.541674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.541674 (E_RNA)
where:
Base-Base interactions energy: -177.050
where: short stacking energy: -89.717
Base-Backbone interact. energy: 0.128
local terms energy: -130.619707
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -43.071
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -188.616569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.616569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.616569 (E_RNA)
where:
Base-Base interactions energy: -50.907
where: short stacking energy: -41.383
Base-Backbone interact. energy: 0.661
local terms energy: -138.370381
where:
bonds (distance) C4'-P energy: -36.225
bonds (distance) P-C4' energy: -44.409
flat angles C4'-P-C4' energy: -35.048
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -174.669128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.669128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.669128 (E_RNA)
where:
Base-Base interactions energy: -64.306
where: short stacking energy: -32.820
Base-Backbone interact. energy: 1.011
local terms energy: -111.374917
where:
bonds (distance) C4'-P energy: -35.278
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: 2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -683.895311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.895311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.895311 (E_RNA)
where:
Base-Base interactions energy: -466.871
where: short stacking energy: -178.370
Base-Backbone interact. energy: -1.034
local terms energy: -215.990578
where:
bonds (distance) C4'-P energy: -42.953
bonds (distance) P-C4' energy: -43.754
flat angles C4'-P-C4' energy: -46.647
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -53.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -616.359311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.359311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.359311 (E_RNA)
where:
Base-Base interactions energy: -431.801
where: short stacking energy: -172.832
Base-Backbone interact. energy: -0.852
local terms energy: -183.705458
where:
bonds (distance) C4'-P energy: -38.009
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -37.544
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -46.195
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: 92
Temperature: 1.000000
Total energy: -622.785541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.785541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.785541 (E_RNA)
where:
Base-Base interactions energy: -424.071
where: short stacking energy: -175.101
Base-Backbone interact. energy: -0.061
local terms energy: -198.653684
where:
bonds (distance) C4'-P energy: -39.608
bonds (distance) P-C4' energy: -38.711
flat angles C4'-P-C4' energy: -41.433
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -51.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -585.253287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.253287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.253287 (E_RNA)
where:
Base-Base interactions energy: -390.052
where: short stacking energy: -171.023
Base-Backbone interact. energy: -0.704
local terms energy: -194.497093
where:
bonds (distance) C4'-P energy: -35.551
bonds (distance) P-C4' energy: -38.522
flat angles C4'-P-C4' energy: -41.127
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: -53.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -460.320078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.320078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.320078 (E_RNA)
where:
Base-Base interactions energy: -290.647
where: short stacking energy: -146.523
Base-Backbone interact. energy: -1.509
local terms energy: -168.163934
where:
bonds (distance) C4'-P energy: -34.451
bonds (distance) P-C4' energy: -41.287
flat angles C4'-P-C4' energy: -33.722
flat angles P-C4'-P energy: -25.856
tors. eta vs tors. theta energy: -32.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -379.157945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.157945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.157945 (E_RNA)
where:
Base-Base interactions energy: -217.267
where: short stacking energy: -121.194
Base-Backbone interact. energy: -0.709
local terms energy: -161.182000
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -38.623
flat angles P-C4'-P energy: -24.679
tors. eta vs tors. theta energy: -25.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -344.430164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.430164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.430164 (E_RNA)
where:
Base-Base interactions energy: -191.156
where: short stacking energy: -84.185
Base-Backbone interact. energy: -1.432
local terms energy: -151.841953
where:
bonds (distance) C4'-P energy: -42.312
bonds (distance) P-C4' energy: -42.804
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -13.260
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: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -299.194343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.194343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.194343 (E_RNA)
where:
Base-Base interactions energy: -153.730
where: short stacking energy: -81.027
Base-Backbone interact. energy: -1.219
local terms energy: -144.244927
where:
bonds (distance) C4'-P energy: -35.679
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -17.677
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: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -184.374793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.374793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.374793 (E_RNA)
where:
Base-Base interactions energy: -47.561
where: short stacking energy: -42.466
Base-Backbone interact. energy: -1.191
local terms energy: -135.623447
where:
bonds (distance) C4'-P energy: -35.998
bonds (distance) P-C4' energy: -40.440
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -166.986714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.986714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.986714 (E_RNA)
where:
Base-Base interactions energy: -50.259
where: short stacking energy: -37.579
Base-Backbone interact. energy: 0.297
local terms energy: -117.025164
where:
bonds (distance) C4'-P energy: -38.185
bonds (distance) P-C4' energy: -39.342
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: 3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -684.070931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.070931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.070931 (E_RNA)
where:
Base-Base interactions energy: -472.215
where: short stacking energy: -194.865
Base-Backbone interact. energy: -1.267
local terms energy: -210.589492
where:
bonds (distance) C4'-P energy: -36.675
bonds (distance) P-C4' energy: -39.694
flat angles C4'-P-C4' energy: -44.880
flat angles P-C4'-P energy: -31.040
tors. eta vs tors. theta energy: -58.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -624.658385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.658385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.658385 (E_RNA)
where:
Base-Base interactions energy: -429.151
where: short stacking energy: -171.454
Base-Backbone interact. energy: 0.273
local terms energy: -195.780896
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -40.889
flat angles C4'-P-C4' energy: -43.659
flat angles P-C4'-P energy: -28.923
tors. eta vs tors. theta energy: -48.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -619.772379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.772379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.772379 (E_RNA)
where:
Base-Base interactions energy: -421.465
where: short stacking energy: -184.455
Base-Backbone interact. energy: -0.596
local terms energy: -197.711399
where:
bonds (distance) C4'-P energy: -38.738
bonds (distance) P-C4' energy: -36.288
flat angles C4'-P-C4' energy: -41.210
flat angles P-C4'-P energy: -29.962
tors. eta vs tors. theta energy: -51.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -582.145160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.145160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.145160 (E_RNA)
where:
Base-Base interactions energy: -370.488
where: short stacking energy: -180.773
Base-Backbone interact. energy: -0.213
local terms energy: -211.444633
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -41.652
flat angles C4'-P-C4' energy: -39.262
flat angles P-C4'-P energy: -29.936
tors. eta vs tors. theta energy: -57.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -493.755684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.755684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.755684 (E_RNA)
where:
Base-Base interactions energy: -324.594
where: short stacking energy: -150.609
Base-Backbone interact. energy: 0.329
local terms energy: -169.490628
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -37.981
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -43.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -391.165153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.165153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.165153 (E_RNA)
where:
Base-Base interactions energy: -243.134
where: short stacking energy: -124.539
Base-Backbone interact. energy: 5.844
local terms energy: -153.875452
where:
bonds (distance) C4'-P energy: -32.881
bonds (distance) P-C4' energy: -35.766
flat angles C4'-P-C4' energy: -39.753
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -37.115
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: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -373.713503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.713503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.713503 (E_RNA)
where:
Base-Base interactions energy: -219.246
where: short stacking energy: -110.898
Base-Backbone interact. energy: -0.639
local terms energy: -153.827915
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -41.989
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -28.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -294.834437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.834437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.834437 (E_RNA)
where:
Base-Base interactions energy: -148.553
where: short stacking energy: -71.070
Base-Backbone interact. energy: -0.986
local terms energy: -145.295817
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -36.485
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -15.304
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: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -185.505406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.505406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.505406 (E_RNA)
where:
Base-Base interactions energy: -59.589
where: short stacking energy: -48.152
Base-Backbone interact. energy: -0.946
local terms energy: -124.970308
where:
bonds (distance) C4'-P energy: -36.007
bonds (distance) P-C4' energy: -38.791
flat angles C4'-P-C4' energy: -34.768
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -174.725958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.725958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.725958 (E_RNA)
where:
Base-Base interactions energy: -59.262
where: short stacking energy: -53.190
Base-Backbone interact. energy: -0.576
local terms energy: -114.887315
where:
bonds (distance) C4'-P energy: -26.628
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -675.459931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.459931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.459931 (E_RNA)
where:
Base-Base interactions energy: -464.043
where: short stacking energy: -190.966
Base-Backbone interact. energy: -0.825
local terms energy: -210.592452
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -43.211
flat angles P-C4'-P energy: -27.278
tors. eta vs tors. theta energy: -57.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -635.407858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.407858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.407858 (E_RNA)
where:
Base-Base interactions energy: -439.033
where: short stacking energy: -175.926
Base-Backbone interact. energy: -0.725
local terms energy: -195.650299
where:
bonds (distance) C4'-P energy: -33.443
bonds (distance) P-C4' energy: -42.354
flat angles C4'-P-C4' energy: -37.454
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: -52.736
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: 94
Temperature: 1.000000
Total energy: -610.085584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.085584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.085584 (E_RNA)
where:
Base-Base interactions energy: -409.217
where: short stacking energy: -166.515
Base-Backbone interact. energy: 0.144
local terms energy: -201.012581
where:
bonds (distance) C4'-P energy: -40.746
bonds (distance) P-C4' energy: -46.667
flat angles C4'-P-C4' energy: -48.432
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -45.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -570.516302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.516302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.516302 (E_RNA)
where:
Base-Base interactions energy: -368.264
where: short stacking energy: -190.327
Base-Backbone interact. energy: -0.004
local terms energy: -202.248185
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -39.851
flat angles P-C4'-P energy: -30.396
tors. eta vs tors. theta energy: -63.471
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: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -460.586155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.586155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.586155 (E_RNA)
where:
Base-Base interactions energy: -283.659
where: short stacking energy: -124.712
Base-Backbone interact. energy: 1.012
local terms energy: -177.938234
where:
bonds (distance) C4'-P energy: -40.975
bonds (distance) P-C4' energy: -36.868
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -37.126
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: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -428.167766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.167766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.167766 (E_RNA)
where:
Base-Base interactions energy: -256.867
where: short stacking energy: -127.798
Base-Backbone interact. energy: 0.950
local terms energy: -172.250878
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -41.886
flat angles C4'-P-C4' energy: -40.955
flat angles P-C4'-P energy: -29.603
tors. eta vs tors. theta energy: -29.875
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: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -386.434279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.434279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.434279 (E_RNA)
where:
Base-Base interactions energy: -226.521
where: short stacking energy: -116.810
Base-Backbone interact. energy: -0.866
local terms energy: -159.047006
where:
bonds (distance) C4'-P energy: -33.012
bonds (distance) P-C4' energy: -32.688
flat angles C4'-P-C4' energy: -39.340
flat angles P-C4'-P energy: -27.458
tors. eta vs tors. theta energy: -26.549
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: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -270.445125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.445125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.445125 (E_RNA)
where:
Base-Base interactions energy: -142.812
where: short stacking energy: -88.998
Base-Backbone interact. energy: -0.703
local terms energy: -126.930798
where:
bonds (distance) C4'-P energy: -26.547
bonds (distance) P-C4' energy: -27.998
flat angles C4'-P-C4' energy: -37.136
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -22.599
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: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -185.296575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.296575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.296575 (E_RNA)
where:
Base-Base interactions energy: -48.860
where: short stacking energy: -46.504
Base-Backbone interact. energy: -1.870
local terms energy: -134.566206
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -40.628
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -0.890
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: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -199.793286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.793286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.793286 (E_RNA)
where:
Base-Base interactions energy: -83.308
where: short stacking energy: -44.366
Base-Backbone interact. energy: 2.181
local terms energy: -118.666453
where:
bonds (distance) C4'-P energy: -38.572
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -36.771
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: 6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -686.991186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.991186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.991186 (E_RNA)
where:
Base-Base interactions energy: -471.253
where: short stacking energy: -199.217
Base-Backbone interact. energy: -0.983
local terms energy: -214.755585
where:
bonds (distance) C4'-P energy: -45.742
bonds (distance) P-C4' energy: -46.007
flat angles C4'-P-C4' energy: -42.322
flat angles P-C4'-P energy: -24.066
tors. eta vs tors. theta energy: -56.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -640.780265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.780265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.780265 (E_RNA)
where:
Base-Base interactions energy: -436.161
where: short stacking energy: -179.318
Base-Backbone interact. energy: -1.535
local terms energy: -203.084661
where:
bonds (distance) C4'-P energy: -37.696
bonds (distance) P-C4' energy: -38.316
flat angles C4'-P-C4' energy: -48.797
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -49.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -620.197160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.197160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.197160 (E_RNA)
where:
Base-Base interactions energy: -415.648
where: short stacking energy: -188.427
Base-Backbone interact. energy: -3.646
local terms energy: -200.903572
where:
bonds (distance) C4'-P energy: -41.791
bonds (distance) P-C4' energy: -37.120
flat angles C4'-P-C4' energy: -40.389
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -56.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -581.870971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.870971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.870971 (E_RNA)
where:
Base-Base interactions energy: -375.907
where: short stacking energy: -170.565
Base-Backbone interact. energy: -1.282
local terms energy: -204.681164
where:
bonds (distance) C4'-P energy: -41.306
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -42.110
flat angles P-C4'-P energy: -34.282
tors. eta vs tors. theta energy: -54.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -448.348423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.348423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.348423 (E_RNA)
where:
Base-Base interactions energy: -292.941
where: short stacking energy: -122.907
Base-Backbone interact. energy: 0.135
local terms energy: -155.542575
where:
bonds (distance) C4'-P energy: -28.204
bonds (distance) P-C4' energy: -42.682
flat angles C4'-P-C4' energy: -32.019
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: -31.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -396.016572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.016572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.016572 (E_RNA)
where:
Base-Base interactions energy: -234.402
where: short stacking energy: -112.764
Base-Backbone interact. energy: 0.470
local terms energy: -162.084791
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -38.205
flat angles C4'-P-C4' energy: -36.258
flat angles P-C4'-P energy: -24.871
tors. eta vs tors. theta energy: -24.231
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: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -363.414286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.414286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.414286 (E_RNA)
where:
Base-Base interactions energy: -219.828
where: short stacking energy: -115.748
Base-Backbone interact. energy: 0.525
local terms energy: -144.110532
where:
bonds (distance) C4'-P energy: -39.566
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -28.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -294.202237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.202237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.202237 (E_RNA)
where:
Base-Base interactions energy: -149.824
where: short stacking energy: -63.904
Base-Backbone interact. energy: -0.344
local terms energy: -144.033524
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -44.476
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -187.221736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.221736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.221736 (E_RNA)
where:
Base-Base interactions energy: -75.988
where: short stacking energy: -49.100
Base-Backbone interact. energy: 0.119
local terms energy: -111.352742
where:
bonds (distance) C4'-P energy: -32.683
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: 3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -213.908313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.908313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.908313 (E_RNA)
where:
Base-Base interactions energy: -105.295
where: short stacking energy: -67.741
Base-Backbone interact. energy: 0.001
local terms energy: -108.614426
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -33.038
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -643.425583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.425583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.425583 (E_RNA)
where:
Base-Base interactions energy: -444.756
where: short stacking energy: -181.372
Base-Backbone interact. energy: -1.205
local terms energy: -197.463781
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -40.187
flat angles C4'-P-C4' energy: -36.930
flat angles P-C4'-P energy: -32.720
tors. eta vs tors. theta energy: -52.793
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: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -663.024102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.024102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.024102 (E_RNA)
where:
Base-Base interactions energy: -456.285
where: short stacking energy: -187.846
Base-Backbone interact. energy: -0.267
local terms energy: -206.472893
where:
bonds (distance) C4'-P energy: -36.462
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -45.975
flat angles P-C4'-P energy: -29.962
tors. eta vs tors. theta energy: -61.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -619.706102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.706102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.706102 (E_RNA)
where:
Base-Base interactions energy: -431.700
where: short stacking energy: -183.832
Base-Backbone interact. energy: -1.370
local terms energy: -186.635466
where:
bonds (distance) C4'-P energy: -42.124
bonds (distance) P-C4' energy: -38.065
flat angles C4'-P-C4' energy: -36.099
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -47.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -576.859401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.859401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.859401 (E_RNA)
where:
Base-Base interactions energy: -369.138
where: short stacking energy: -175.547
Base-Backbone interact. energy: -0.817
local terms energy: -206.904537
where:
bonds (distance) C4'-P energy: -34.486
bonds (distance) P-C4' energy: -45.811
flat angles C4'-P-C4' energy: -43.049
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: -58.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -478.370384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.370384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.370384 (E_RNA)
where:
Base-Base interactions energy: -315.444
where: short stacking energy: -128.938
Base-Backbone interact. energy: -0.789
local terms energy: -162.137236
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -36.665
flat angles P-C4'-P energy: -24.716
tors. eta vs tors. theta energy: -34.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -431.005890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.005890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.005890 (E_RNA)
where:
Base-Base interactions energy: -265.169
where: short stacking energy: -130.716
Base-Backbone interact. energy: -0.518
local terms energy: -165.318238
where:
bonds (distance) C4'-P energy: -40.655
bonds (distance) P-C4' energy: -36.600
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -30.728
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: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -394.854004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.854004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.854004 (E_RNA)
where:
Base-Base interactions energy: -250.442
where: short stacking energy: -118.640
Base-Backbone interact. energy: 0.885
local terms energy: -145.297083
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -39.629
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -24.139
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: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -278.882519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.882519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.882519 (E_RNA)
where:
Base-Base interactions energy: -165.804
where: short stacking energy: -87.956
Base-Backbone interact. energy: -0.496
local terms energy: -112.582920
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -34.250
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -200.038483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.038483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.038483 (E_RNA)
where:
Base-Base interactions energy: -69.877
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.730
local terms energy: -129.431876
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -41.688
flat angles C4'-P-C4' energy: -39.141
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: 2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -227.654981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.654981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.654981 (E_RNA)
where:
Base-Base interactions energy: -103.964
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.054
local terms energy: -123.637481
where:
bonds (distance) C4'-P energy: -33.111
bonds (distance) P-C4' energy: -39.149
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -0.268
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: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -656.347135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.347135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.347135 (E_RNA)
where:
Base-Base interactions energy: -446.546
where: short stacking energy: -180.116
Base-Backbone interact. energy: -2.080
local terms energy: -207.720983
where:
bonds (distance) C4'-P energy: -41.255
bonds (distance) P-C4' energy: -38.457
flat angles C4'-P-C4' energy: -43.684
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -58.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -665.528580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.528580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.528580 (E_RNA)
where:
Base-Base interactions energy: -457.819
where: short stacking energy: -187.818
Base-Backbone interact. energy: 0.537
local terms energy: -208.247449
where:
bonds (distance) C4'-P energy: -39.680
bonds (distance) P-C4' energy: -39.297
flat angles C4'-P-C4' energy: -43.332
flat angles P-C4'-P energy: -29.168
tors. eta vs tors. theta energy: -56.771
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: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -617.674283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.674283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.674283 (E_RNA)
where:
Base-Base interactions energy: -413.602
where: short stacking energy: -165.491
Base-Backbone interact. energy: -1.093
local terms energy: -202.979418
where:
bonds (distance) C4'-P energy: -33.799
bonds (distance) P-C4' energy: -46.730
flat angles C4'-P-C4' energy: -42.917
flat angles P-C4'-P energy: -29.170
tors. eta vs tors. theta energy: -50.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -575.095105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.095105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.095105 (E_RNA)
where:
Base-Base interactions energy: -371.247
where: short stacking energy: -180.753
Base-Backbone interact. energy: 0.197
local terms energy: -204.045425
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -37.557
flat angles C4'-P-C4' energy: -44.175
flat angles P-C4'-P energy: -29.119
tors. eta vs tors. theta energy: -60.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -487.709558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.709558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.709558 (E_RNA)
where:
Base-Base interactions energy: -321.635
where: short stacking energy: -138.296
Base-Backbone interact. energy: -1.074
local terms energy: -165.000092
where:
bonds (distance) C4'-P energy: -33.918
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -38.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -400.558226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.558226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.558226 (E_RNA)
where:
Base-Base interactions energy: -244.145
where: short stacking energy: -120.639
Base-Backbone interact. energy: 1.506
local terms energy: -157.919624
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -41.573
flat angles C4'-P-C4' energy: -28.119
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -32.919
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: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -419.333648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.333648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.333648 (E_RNA)
where:
Base-Base interactions energy: -260.999
where: short stacking energy: -129.784
Base-Backbone interact. energy: -0.306
local terms energy: -158.028600
where:
bonds (distance) C4'-P energy: -31.596
bonds (distance) P-C4' energy: -37.810
flat angles C4'-P-C4' energy: -38.832
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -34.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -256.776119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.776119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.776119 (E_RNA)
where:
Base-Base interactions energy: -119.540
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.809
local terms energy: -136.426701
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -42.822
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -187.604728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.604728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.604728 (E_RNA)
where:
Base-Base interactions energy: -65.855
where: short stacking energy: -45.876
Base-Backbone interact. energy: 3.086
local terms energy: -124.836013
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -44.059
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -182.062795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.062795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.062795 (E_RNA)
where:
Base-Base interactions energy: -87.805
where: short stacking energy: -54.189
Base-Backbone interact. energy: -0.568
local terms energy: -93.689804
where:
bonds (distance) C4'-P energy: -29.944
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: 1.826
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: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -678.679289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.679289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.679289 (E_RNA)
where:
Base-Base interactions energy: -473.139
where: short stacking energy: -190.420
Base-Backbone interact. energy: -0.984
local terms energy: -204.556838
where:
bonds (distance) C4'-P energy: -35.900
bonds (distance) P-C4' energy: -42.446
flat angles C4'-P-C4' energy: -39.998
flat angles P-C4'-P energy: -29.637
tors. eta vs tors. theta energy: -56.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -641.892293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.892293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.892293 (E_RNA)
where:
Base-Base interactions energy: -435.838
where: short stacking energy: -188.321
Base-Backbone interact. energy: -1.995
local terms energy: -204.059246
where:
bonds (distance) C4'-P energy: -41.439
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -43.227
flat angles P-C4'-P energy: -28.322
tors. eta vs tors. theta energy: -50.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -627.232564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.232564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.232564 (E_RNA)
where:
Base-Base interactions energy: -422.246
where: short stacking energy: -180.301
Base-Backbone interact. energy: 1.011
local terms energy: -205.998094
where:
bonds (distance) C4'-P energy: -42.544
bonds (distance) P-C4' energy: -38.712
flat angles C4'-P-C4' energy: -42.784
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -53.789
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: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -564.533597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.533597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.533597 (E_RNA)
where:
Base-Base interactions energy: -358.053
where: short stacking energy: -176.381
Base-Backbone interact. energy: -1.193
local terms energy: -205.288238
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -45.318
flat angles P-C4'-P energy: -26.575
tors. eta vs tors. theta energy: -60.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -518.830170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.830170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.830170 (E_RNA)
where:
Base-Base interactions energy: -349.069
where: short stacking energy: -144.411
Base-Backbone interact. energy: 0.079
local terms energy: -169.839879
where:
bonds (distance) C4'-P energy: -37.624
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -32.630
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -37.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -403.182432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.182432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.182432 (E_RNA)
where:
Base-Base interactions energy: -247.853
where: short stacking energy: -107.581
Base-Backbone interact. energy: -0.136
local terms energy: -155.194075
where:
bonds (distance) C4'-P energy: -38.265
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -35.362
flat angles P-C4'-P energy: -25.432
tors. eta vs tors. theta energy: -16.752
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: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -446.792649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.792649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.792649 (E_RNA)
where:
Base-Base interactions energy: -264.460
where: short stacking energy: -121.783
Base-Backbone interact. energy: -0.155
local terms energy: -182.177896
where:
bonds (distance) C4'-P energy: -43.606
bonds (distance) P-C4' energy: -39.635
flat angles C4'-P-C4' energy: -40.131
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -39.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -273.430091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.430091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.430091 (E_RNA)
where:
Base-Base interactions energy: -147.389
where: short stacking energy: -89.425
Base-Backbone interact. energy: -0.685
local terms energy: -125.356174
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -38.381
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -181.986312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.986312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.986312 (E_RNA)
where:
Base-Base interactions energy: -62.418
where: short stacking energy: -47.368
Base-Backbone interact. energy: 0.370
local terms energy: -119.938727
where:
bonds (distance) C4'-P energy: -39.230
bonds (distance) P-C4' energy: -35.204
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: 5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -163.158189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.158189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.158189 (E_RNA)
where:
Base-Base interactions energy: -53.263
where: short stacking energy: -43.759
Base-Backbone interact. energy: 0.076
local terms energy: -109.971365
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -41.372
flat angles C4'-P-C4' energy: -29.282
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: 11.152
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: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -669.641839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.641839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.641839 (E_RNA)
where:
Base-Base interactions energy: -454.907
where: short stacking energy: -185.436
Base-Backbone interact. energy: -1.241
local terms energy: -213.493740
where:
bonds (distance) C4'-P energy: -38.156
bonds (distance) P-C4' energy: -39.203
flat angles C4'-P-C4' energy: -46.161
flat angles P-C4'-P energy: -30.070
tors. eta vs tors. theta energy: -59.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -652.781965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.781965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.781965 (E_RNA)
where:
Base-Base interactions energy: -451.430
where: short stacking energy: -182.792
Base-Backbone interact. energy: -2.182
local terms energy: -199.170175
where:
bonds (distance) C4'-P energy: -37.523
bonds (distance) P-C4' energy: -39.630
flat angles C4'-P-C4' energy: -41.064
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -54.736
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: 99
Temperature: 1.000000
Total energy: -616.415414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.415414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.415414 (E_RNA)
where:
Base-Base interactions energy: -423.910
where: short stacking energy: -175.695
Base-Backbone interact. energy: 0.611
local terms energy: -193.116713
where:
bonds (distance) C4'-P energy: -36.766
bonds (distance) P-C4' energy: -41.002
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -54.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -581.945502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.945502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.945502 (E_RNA)
where:
Base-Base interactions energy: -376.941
where: short stacking energy: -182.962
Base-Backbone interact. energy: -0.458
local terms energy: -204.546490
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -40.737
flat angles C4'-P-C4' energy: -45.828
flat angles P-C4'-P energy: -26.222
tors. eta vs tors. theta energy: -61.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -511.117131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.117131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.117131 (E_RNA)
where:
Base-Base interactions energy: -356.992
where: short stacking energy: -138.120
Base-Backbone interact. energy: -1.429
local terms energy: -152.696548
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -38.097
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -33.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -457.458560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.458560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.458560 (E_RNA)
where:
Base-Base interactions energy: -292.716
where: short stacking energy: -131.886
Base-Backbone interact. energy: -0.118
local terms energy: -164.624256
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -35.827
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -37.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -382.252249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.252249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.252249 (E_RNA)
where:
Base-Base interactions energy: -241.966
where: short stacking energy: -113.399
Base-Backbone interact. energy: -1.072
local terms energy: -139.214558
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -35.965
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -28.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -297.683296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.683296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.683296 (E_RNA)
where:
Base-Base interactions energy: -162.469
where: short stacking energy: -80.581
Base-Backbone interact. energy: -0.956
local terms energy: -134.259059
where:
bonds (distance) C4'-P energy: -33.531
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -178.216674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.216674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.216674 (E_RNA)
where:
Base-Base interactions energy: -61.583
where: short stacking energy: -49.946
Base-Backbone interact. energy: -0.630
local terms energy: -116.003236
where:
bonds (distance) C4'-P energy: -35.976
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -35.431
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -184.553434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.553434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.553434 (E_RNA)
where:
Base-Base interactions energy: -59.818
where: short stacking energy: -39.019
Base-Backbone interact. energy: -1.230
local terms energy: -123.505689
where:
bonds (distance) C4'-P energy: -30.867
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -24.852
tors. eta vs tors. theta energy: 1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -680.947469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.947469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.947469 (E_RNA)
where:
Base-Base interactions energy: -463.160
where: short stacking energy: -181.347
Base-Backbone interact. energy: -1.514
local terms energy: -216.273205
where:
bonds (distance) C4'-P energy: -43.706
bonds (distance) P-C4' energy: -41.282
flat angles C4'-P-C4' energy: -44.940
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -57.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -641.650479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.650479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.650479 (E_RNA)
where:
Base-Base interactions energy: -441.620
where: short stacking energy: -187.245
Base-Backbone interact. energy: -1.136
local terms energy: -198.895367
where:
bonds (distance) C4'-P energy: -38.717
bonds (distance) P-C4' energy: -34.238
flat angles C4'-P-C4' energy: -42.440
flat angles P-C4'-P energy: -33.441
tors. eta vs tors. theta energy: -50.060
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: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -615.208517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.208517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.208517 (E_RNA)
where:
Base-Base interactions energy: -423.035
where: short stacking energy: -168.110
Base-Backbone interact. energy: -1.016
local terms energy: -191.157632
where:
bonds (distance) C4'-P energy: -36.144
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -39.036
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -55.520
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: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -577.865612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.865612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.865612 (E_RNA)
where:
Base-Base interactions energy: -374.804
where: short stacking energy: -163.162
Base-Backbone interact. energy: -0.263
local terms energy: -202.798210
where:
bonds (distance) C4'-P energy: -36.835
bonds (distance) P-C4' energy: -37.108
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -28.678
tors. eta vs tors. theta energy: -57.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -528.878332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.878332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.878332 (E_RNA)
where:
Base-Base interactions energy: -347.795
where: short stacking energy: -150.666
Base-Backbone interact. energy: -0.823
local terms energy: -180.260075
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -40.334
flat angles C4'-P-C4' energy: -39.361
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -42.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -443.670536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.670536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.670536 (E_RNA)
where:
Base-Base interactions energy: -274.314
where: short stacking energy: -135.007
Base-Backbone interact. energy: -1.413
local terms energy: -167.943314
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -42.059
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -30.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -347.731026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.731026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.731026 (E_RNA)
where:
Base-Base interactions energy: -180.528
where: short stacking energy: -98.523
Base-Backbone interact. energy: -0.182
local terms energy: -167.021323
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -41.131
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -27.731
tors. eta vs tors. theta energy: -27.135
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: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -303.486845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.486845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.486845 (E_RNA)
where:
Base-Base interactions energy: -158.487
where: short stacking energy: -98.119
Base-Backbone interact. energy: 1.731
local terms energy: -146.730380
where:
bonds (distance) C4'-P energy: -37.347
bonds (distance) P-C4' energy: -35.773
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -23.294
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: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -198.168074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.168074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.168074 (E_RNA)
where:
Base-Base interactions energy: -65.198
where: short stacking energy: -42.650
Base-Backbone interact. energy: 0.733
local terms energy: -133.703107
where:
bonds (distance) C4'-P energy: -36.058
bonds (distance) P-C4' energy: -38.765
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -173.509209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.509209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.509209 (E_RNA)
where:
Base-Base interactions energy: -54.314
where: short stacking energy: -53.244
Base-Backbone interact. energy: 1.179
local terms energy: -120.373653
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -37.136
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: 1.875
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: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -690.977603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.977603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.977603 (E_RNA)
where:
Base-Base interactions energy: -473.292
where: short stacking energy: -193.411
Base-Backbone interact. energy: -1.384
local terms energy: -216.301217
where:
bonds (distance) C4'-P energy: -40.890
bonds (distance) P-C4' energy: -43.108
flat angles C4'-P-C4' energy: -42.240
flat angles P-C4'-P energy: -30.078
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: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -641.390232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.390232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.390232 (E_RNA)
where:
Base-Base interactions energy: -430.754
where: short stacking energy: -185.433
Base-Backbone interact. energy: 0.273
local terms energy: -210.909099
where:
bonds (distance) C4'-P energy: -41.909
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -47.037
flat angles P-C4'-P energy: -27.833
tors. eta vs tors. theta energy: -57.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -637.947999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.947999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.947999 (E_RNA)
where:
Base-Base interactions energy: -444.661
where: short stacking energy: -178.512
Base-Backbone interact. energy: -2.652
local terms energy: -190.634909
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -40.119
flat angles C4'-P-C4' energy: -41.999
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -48.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -587.171832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.171832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.171832 (E_RNA)
where:
Base-Base interactions energy: -385.456
where: short stacking energy: -162.350
Base-Backbone interact. energy: -0.318
local terms energy: -201.398221
where:
bonds (distance) C4'-P energy: -35.728
bonds (distance) P-C4' energy: -40.290
flat angles C4'-P-C4' energy: -41.984
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -54.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -522.031029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.031029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.031029 (E_RNA)
where:
Base-Base interactions energy: -357.391
where: short stacking energy: -147.776
Base-Backbone interact. energy: -0.791
local terms energy: -163.849290
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -25.358
tors. eta vs tors. theta energy: -35.544
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: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -481.361508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.361508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.361508 (E_RNA)
where:
Base-Base interactions energy: -318.266
where: short stacking energy: -139.102
Base-Backbone interact. energy: -0.421
local terms energy: -162.675217
where:
bonds (distance) C4'-P energy: -39.413
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -35.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -372.280329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.280329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.280329 (E_RNA)
where:
Base-Base interactions energy: -220.055
where: short stacking energy: -118.227
Base-Backbone interact. energy: -0.744
local terms energy: -151.481018
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -30.335
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -273.205475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.205475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.205475 (E_RNA)
where:
Base-Base interactions energy: -143.138
where: short stacking energy: -87.836
Base-Backbone interact. energy: 0.952
local terms energy: -131.019827
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -39.768
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -176.604306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.604306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.604306 (E_RNA)
where:
Base-Base interactions energy: -48.266
where: short stacking energy: -41.111
Base-Backbone interact. energy: -0.966
local terms energy: -127.372398
where:
bonds (distance) C4'-P energy: -35.728
bonds (distance) P-C4' energy: -41.395
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: 0.164
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: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -174.002580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.002580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.002580 (E_RNA)
where:
Base-Base interactions energy: -54.422
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.435
local terms energy: -119.145784
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -40.775
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -702.034912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.034912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.034912 (E_RNA)
where:
Base-Base interactions energy: -485.394
where: short stacking energy: -187.596
Base-Backbone interact. energy: -1.834
local terms energy: -214.807409
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -41.543
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -27.803
tors. eta vs tors. theta energy: -60.959
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: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -648.033556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.033556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.033556 (E_RNA)
where:
Base-Base interactions energy: -440.858
where: short stacking energy: -187.576
Base-Backbone interact. energy: -2.039
local terms energy: -205.136039
where:
bonds (distance) C4'-P energy: -41.356
bonds (distance) P-C4' energy: -34.355
flat angles C4'-P-C4' energy: -44.676
flat angles P-C4'-P energy: -25.740
tors. eta vs tors. theta energy: -59.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -631.037061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.037061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.037061 (E_RNA)
where:
Base-Base interactions energy: -441.987
where: short stacking energy: -155.471
Base-Backbone interact. energy: 7.719
local terms energy: -196.768758
where:
bonds (distance) C4'-P energy: -44.517
bonds (distance) P-C4' energy: -40.067
flat angles C4'-P-C4' energy: -39.529
flat angles P-C4'-P energy: -30.184
tors. eta vs tors. theta energy: -42.472
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: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -557.985741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.985741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.985741 (E_RNA)
where:
Base-Base interactions energy: -363.455
where: short stacking energy: -163.696
Base-Backbone interact. energy: -0.027
local terms energy: -194.504121
where:
bonds (distance) C4'-P energy: -35.613
bonds (distance) P-C4' energy: -38.179
flat angles C4'-P-C4' energy: -40.826
flat angles P-C4'-P energy: -26.610
tors. eta vs tors. theta energy: -53.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -507.245503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.245503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.245503 (E_RNA)
where:
Base-Base interactions energy: -329.618
where: short stacking energy: -152.531
Base-Backbone interact. energy: -1.320
local terms energy: -176.307254
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -35.870
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -42.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -457.436848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.436848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.436848 (E_RNA)
where:
Base-Base interactions energy: -290.545
where: short stacking energy: -122.356
Base-Backbone interact. energy: 0.807
local terms energy: -167.698815
where:
bonds (distance) C4'-P energy: -41.797
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -23.726
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -384.802631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.802631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.802631 (E_RNA)
where:
Base-Base interactions energy: -235.171
where: short stacking energy: -111.091
Base-Backbone interact. energy: -0.241
local terms energy: -149.391426
where:
bonds (distance) C4'-P energy: -35.260
bonds (distance) P-C4' energy: -28.366
flat angles C4'-P-C4' energy: -34.020
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -30.877
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: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -317.160642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.160642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.160642 (E_RNA)
where:
Base-Base interactions energy: -185.053
where: short stacking energy: -105.434
Base-Backbone interact. energy: -1.275
local terms energy: -130.832571
where:
bonds (distance) C4'-P energy: -34.184
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -36.219
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -11.784
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: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -176.542350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.542350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.542350 (E_RNA)
where:
Base-Base interactions energy: -69.862
where: short stacking energy: -55.688
Base-Backbone interact. energy: 0.764
local terms energy: -107.444173
where:
bonds (distance) C4'-P energy: -35.492
bonds (distance) P-C4' energy: -30.458
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: 2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -168.345861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.345861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.345861 (E_RNA)
where:
Base-Base interactions energy: -65.049
where: short stacking energy: -55.792
Base-Backbone interact. energy: 0.422
local terms energy: -103.718831
where:
bonds (distance) C4'-P energy: -34.315
bonds (distance) P-C4' energy: -34.879
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: 0.946
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: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -690.244974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.244974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.244974 (E_RNA)
where:
Base-Base interactions energy: -475.832
where: short stacking energy: -193.770
Base-Backbone interact. energy: -2.334
local terms energy: -212.078567
where:
bonds (distance) C4'-P energy: -45.161
bonds (distance) P-C4' energy: -36.783
flat angles C4'-P-C4' energy: -43.857
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -60.425
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: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -650.151151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.151151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.151151 (E_RNA)
where:
Base-Base interactions energy: -440.528
where: short stacking energy: -189.575
Base-Backbone interact. energy: -0.154
local terms energy: -209.469188
where:
bonds (distance) C4'-P energy: -42.714
bonds (distance) P-C4' energy: -34.277
flat angles C4'-P-C4' energy: -43.610
flat angles P-C4'-P energy: -31.797
tors. eta vs tors. theta energy: -57.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -629.969461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.969461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.969461 (E_RNA)
where:
Base-Base interactions energy: -430.193
where: short stacking energy: -160.713
Base-Backbone interact. energy: -1.955
local terms energy: -197.821477
where:
bonds (distance) C4'-P energy: -39.293
bonds (distance) P-C4' energy: -42.770
flat angles C4'-P-C4' energy: -41.659
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -43.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -549.383232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.383232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.383232 (E_RNA)
where:
Base-Base interactions energy: -361.321
where: short stacking energy: -162.585
Base-Backbone interact. energy: 0.460
local terms energy: -188.522634
where:
bonds (distance) C4'-P energy: -40.598
bonds (distance) P-C4' energy: -34.706
flat angles C4'-P-C4' energy: -41.011
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -48.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -528.536324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.536324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.536324 (E_RNA)
where:
Base-Base interactions energy: -339.500
where: short stacking energy: -165.972
Base-Backbone interact. energy: -1.588
local terms energy: -187.449130
where:
bonds (distance) C4'-P energy: -33.290
bonds (distance) P-C4' energy: -38.097
flat angles C4'-P-C4' energy: -39.816
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -52.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -448.429374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.429374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.429374 (E_RNA)
where:
Base-Base interactions energy: -301.312
where: short stacking energy: -116.364
Base-Backbone interact. energy: 5.706
local terms energy: -152.823462
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -38.963
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -27.951
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: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -379.405383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.405383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.405383 (E_RNA)
where:
Base-Base interactions energy: -202.789
where: short stacking energy: -102.935
Base-Backbone interact. energy: -0.181
local terms energy: -176.435691
where:
bonds (distance) C4'-P energy: -41.823
bonds (distance) P-C4' energy: -38.278
flat angles C4'-P-C4' energy: -40.416
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -29.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -308.472170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.472170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.472170 (E_RNA)
where:
Base-Base interactions energy: -176.972
where: short stacking energy: -72.762
Base-Backbone interact. energy: 0.022
local terms energy: -131.522164
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -29.395
flat angles C4'-P-C4' energy: -35.537
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -17.322
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: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -196.796415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.796415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.796415 (E_RNA)
where:
Base-Base interactions energy: -67.074
where: short stacking energy: -37.670
Base-Backbone interact. energy: -1.104
local terms energy: -128.618436
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -43.699
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: 1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -187.264718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.264718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.264718 (E_RNA)
where:
Base-Base interactions energy: -59.154
where: short stacking energy: -55.914
Base-Backbone interact. energy: 2.337
local terms energy: -130.447756
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -36.609
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -690.559864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.559864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.559864 (E_RNA)
where:
Base-Base interactions energy: -471.002
where: short stacking energy: -192.323
Base-Backbone interact. energy: -1.780
local terms energy: -217.778002
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -42.867
flat angles P-C4'-P energy: -34.244
tors. eta vs tors. theta energy: -60.313
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: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -640.627172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.627172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.627172 (E_RNA)
where:
Base-Base interactions energy: -428.617
where: short stacking energy: -179.108
Base-Backbone interact. energy: -0.598
local terms energy: -211.412794
where:
bonds (distance) C4'-P energy: -39.064
bonds (distance) P-C4' energy: -44.923
flat angles C4'-P-C4' energy: -47.446
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -53.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -626.622876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.622876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.622876 (E_RNA)
where:
Base-Base interactions energy: -431.958
where: short stacking energy: -164.002
Base-Backbone interact. energy: -2.354
local terms energy: -192.311667
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -39.831
flat angles C4'-P-C4' energy: -42.482
flat angles P-C4'-P energy: -31.007
tors. eta vs tors. theta energy: -48.025
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: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -551.173713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.173713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.173713 (E_RNA)
where:
Base-Base interactions energy: -353.715
where: short stacking energy: -163.261
Base-Backbone interact. energy: -0.306
local terms energy: -197.152562
where:
bonds (distance) C4'-P energy: -35.444
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -38.208
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -58.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -478.265487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.265487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.265487 (E_RNA)
where:
Base-Base interactions energy: -308.353
where: short stacking energy: -129.030
Base-Backbone interact. energy: -1.167
local terms energy: -168.745453
where:
bonds (distance) C4'-P energy: -41.606
bonds (distance) P-C4' energy: -36.368
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -34.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -523.932153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.932153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.932153 (E_RNA)
where:
Base-Base interactions energy: -341.401
where: short stacking energy: -155.576
Base-Backbone interact. energy: -0.142
local terms energy: -182.389510
where:
bonds (distance) C4'-P energy: -40.281
bonds (distance) P-C4' energy: -33.974
flat angles C4'-P-C4' energy: -38.358
flat angles P-C4'-P energy: -24.139
tors. eta vs tors. theta energy: -45.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -384.182284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.182284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.182284 (E_RNA)
where:
Base-Base interactions energy: -230.767
where: short stacking energy: -128.776
Base-Backbone interact. energy: 0.890
local terms energy: -154.305114
where:
bonds (distance) C4'-P energy: -37.167
bonds (distance) P-C4' energy: -33.643
flat angles C4'-P-C4' energy: -33.759
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -34.002
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: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -343.809366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.809366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.809366 (E_RNA)
where:
Base-Base interactions energy: -209.999
where: short stacking energy: -105.231
Base-Backbone interact. energy: -0.051
local terms energy: -133.759586
where:
bonds (distance) C4'-P energy: -26.613
bonds (distance) P-C4' energy: -35.360
flat angles C4'-P-C4' energy: -36.458
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -174.375900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.375900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.375900 (E_RNA)
where:
Base-Base interactions energy: -58.780
where: short stacking energy: -46.668
Base-Backbone interact. energy: -1.816
local terms energy: -113.780001
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -40.872
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -174.465407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.465407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.465407 (E_RNA)
where:
Base-Base interactions energy: -61.338
where: short stacking energy: -50.968
Base-Backbone interact. energy: -0.456
local terms energy: -112.671117
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -40.322
flat angles C4'-P-C4' energy: -27.677
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: 9.763
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: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -675.666000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.666000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.666000 (E_RNA)
where:
Base-Base interactions energy: -482.841
where: short stacking energy: -200.200
Base-Backbone interact. energy: -1.120
local terms energy: -191.704546
where:
bonds (distance) C4'-P energy: -28.230
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -46.036
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -59.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -636.850052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.850052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.850052 (E_RNA)
where:
Base-Base interactions energy: -431.412
where: short stacking energy: -170.636
Base-Backbone interact. energy: -1.965
local terms energy: -203.472546
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -39.253
flat angles C4'-P-C4' energy: -43.593
flat angles P-C4'-P energy: -26.465
tors. eta vs tors. theta energy: -52.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -627.873646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.873646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.873646 (E_RNA)
where:
Base-Base interactions energy: -439.423
where: short stacking energy: -170.785
Base-Backbone interact. energy: -0.709
local terms energy: -187.741732
where:
bonds (distance) C4'-P energy: -37.925
bonds (distance) P-C4' energy: -37.262
flat angles C4'-P-C4' energy: -36.417
flat angles P-C4'-P energy: -25.545
tors. eta vs tors. theta energy: -50.593
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -547.735287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.735287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.735287 (E_RNA)
where:
Base-Base interactions energy: -356.675
where: short stacking energy: -161.316
Base-Backbone interact. energy: -0.264
local terms energy: -190.795834
where:
bonds (distance) C4'-P energy: -35.022
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -34.690
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: -46.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -484.048913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.048913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.048913 (E_RNA)
where:
Base-Base interactions energy: -294.173
where: short stacking energy: -135.867
Base-Backbone interact. energy: 0.193
local terms energy: -190.068729
where:
bonds (distance) C4'-P energy: -38.268
bonds (distance) P-C4' energy: -41.347
flat angles C4'-P-C4' energy: -41.418
flat angles P-C4'-P energy: -33.464
tors. eta vs tors. theta energy: -35.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -386.967430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.967430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.967430 (E_RNA)
where:
Base-Base interactions energy: -215.515
where: short stacking energy: -113.900
Base-Backbone interact. energy: -0.291
local terms energy: -171.161691
where:
bonds (distance) C4'-P energy: -43.354
bonds (distance) P-C4' energy: -42.509
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -27.043
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: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -476.928406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.928406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.928406 (E_RNA)
where:
Base-Base interactions energy: -323.895
where: short stacking energy: -125.814
Base-Backbone interact. energy: 0.271
local terms energy: -153.303632
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -36.462
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -34.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -362.022062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.022062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.022062 (E_RNA)
where:
Base-Base interactions energy: -220.501
where: short stacking energy: -98.994
Base-Backbone interact. energy: -1.652
local terms energy: -139.869495
where:
bonds (distance) C4'-P energy: -35.808
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -37.354
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -21.320
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: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -195.156598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.156598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.156598 (E_RNA)
where:
Base-Base interactions energy: -100.194
where: short stacking energy: -66.116
Base-Backbone interact. energy: 1.941
local terms energy: -96.903118
where:
bonds (distance) C4'-P energy: -29.589
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -20.689
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: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -176.429752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.429752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.429752 (E_RNA)
where:
Base-Base interactions energy: -61.347
where: short stacking energy: -54.232
Base-Backbone interact. energy: -0.691
local terms energy: -114.391229
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -37.568
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: 6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -690.799787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.799787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.799787 (E_RNA)
where:
Base-Base interactions energy: -476.879
where: short stacking energy: -190.987
Base-Backbone interact. energy: -1.828
local terms energy: -212.092430
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -42.909
flat angles C4'-P-C4' energy: -45.483
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: -63.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -641.443873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.443873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.443873 (E_RNA)
where:
Base-Base interactions energy: -435.866
where: short stacking energy: -180.345
Base-Backbone interact. energy: -0.396
local terms energy: -205.182560
where:
bonds (distance) C4'-P energy: -43.678
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -38.331
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -55.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -618.326534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.326534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.326534 (E_RNA)
where:
Base-Base interactions energy: -426.506
where: short stacking energy: -174.232
Base-Backbone interact. energy: -2.361
local terms energy: -189.459790
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -38.962
flat angles C4'-P-C4' energy: -44.640
flat angles P-C4'-P energy: -29.738
tors. eta vs tors. theta energy: -45.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -576.337200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.337200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.337200 (E_RNA)
where:
Base-Base interactions energy: -378.311
where: short stacking energy: -166.514
Base-Backbone interact. energy: -0.281
local terms energy: -197.744827
where:
bonds (distance) C4'-P energy: -37.195
bonds (distance) P-C4' energy: -37.004
flat angles C4'-P-C4' energy: -40.410
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -55.115
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: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -482.112481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.112481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.112481 (E_RNA)
where:
Base-Base interactions energy: -310.509
where: short stacking energy: -155.452
Base-Backbone interact. energy: -0.824
local terms energy: -170.780160
where:
bonds (distance) C4'-P energy: -37.762
bonds (distance) P-C4' energy: -37.539
flat angles C4'-P-C4' energy: -33.016
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -34.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -391.310033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.310033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.310033 (E_RNA)
where:
Base-Base interactions energy: -247.395
where: short stacking energy: -131.856
Base-Backbone interact. energy: -0.129
local terms energy: -143.785375
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -41.828
flat angles C4'-P-C4' energy: -32.020
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -32.709
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: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -471.836048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.836048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.836048 (E_RNA)
where:
Base-Base interactions energy: -311.832
where: short stacking energy: -135.409
Base-Backbone interact. energy: -1.079
local terms energy: -158.925744
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -32.341
flat angles C4'-P-C4' energy: -39.786
flat angles P-C4'-P energy: -24.972
tors. eta vs tors. theta energy: -32.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -376.939314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.939314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.939314 (E_RNA)
where:
Base-Base interactions energy: -228.002
where: short stacking energy: -104.998
Base-Backbone interact. energy: -0.559
local terms energy: -148.378350
where:
bonds (distance) C4'-P energy: -33.972
bonds (distance) P-C4' energy: -37.659
flat angles C4'-P-C4' energy: -34.784
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -178.518688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.518688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.518688 (E_RNA)
where:
Base-Base interactions energy: -63.587
where: short stacking energy: -55.986
Base-Backbone interact. energy: -1.472
local terms energy: -113.460455
where:
bonds (distance) C4'-P energy: -36.164
bonds (distance) P-C4' energy: -37.128
flat angles C4'-P-C4' energy: -25.218
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -188.477593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.477593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.477593 (E_RNA)
where:
Base-Base interactions energy: -86.530
where: short stacking energy: -59.146
Base-Backbone interact. energy: -0.979
local terms energy: -100.968849
where:
bonds (distance) C4'-P energy: -27.505
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -666.301975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.301975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.301975 (E_RNA)
where:
Base-Base interactions energy: -445.127
where: short stacking energy: -198.886
Base-Backbone interact. energy: -1.441
local terms energy: -219.734029
where:
bonds (distance) C4'-P energy: -41.419
bonds (distance) P-C4' energy: -42.933
flat angles C4'-P-C4' energy: -43.775
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -58.131
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: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -641.449983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.449983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.449983 (E_RNA)
where:
Base-Base interactions energy: -454.464
where: short stacking energy: -176.043
Base-Backbone interact. energy: -1.690
local terms energy: -185.296202
where:
bonds (distance) C4'-P energy: -34.859
bonds (distance) P-C4' energy: -39.582
flat angles C4'-P-C4' energy: -41.951
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -48.966
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: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -644.220118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.220118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.220118 (E_RNA)
where:
Base-Base interactions energy: -439.506
where: short stacking energy: -173.182
Base-Backbone interact. energy: -0.374
local terms energy: -204.340629
where:
bonds (distance) C4'-P energy: -39.324
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -40.790
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: -49.727
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: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -607.073229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.073229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.073229 (E_RNA)
where:
Base-Base interactions energy: -415.389
where: short stacking energy: -195.290
Base-Backbone interact. energy: -1.776
local terms energy: -189.907554
where:
bonds (distance) C4'-P energy: -26.235
bonds (distance) P-C4' energy: -33.994
flat angles C4'-P-C4' energy: -40.040
flat angles P-C4'-P energy: -28.533
tors. eta vs tors. theta energy: -61.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -476.213337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.213337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.213337 (E_RNA)
where:
Base-Base interactions energy: -309.955
where: short stacking energy: -160.096
Base-Backbone interact. energy: -0.614
local terms energy: -165.644401
where:
bonds (distance) C4'-P energy: -37.456
bonds (distance) P-C4' energy: -26.828
flat angles C4'-P-C4' energy: -37.753
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -46.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -453.855343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.855343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.855343 (E_RNA)
where:
Base-Base interactions energy: -295.333
where: short stacking energy: -138.741
Base-Backbone interact. energy: 3.359
local terms energy: -161.881409
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -33.729
flat angles C4'-P-C4' energy: -43.887
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -37.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -389.827550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.827550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.827550 (E_RNA)
where:
Base-Base interactions energy: -230.755
where: short stacking energy: -119.181
Base-Backbone interact. energy: 1.888
local terms energy: -160.960044
where:
bonds (distance) C4'-P energy: -38.410
bonds (distance) P-C4' energy: -38.201
flat angles C4'-P-C4' energy: -33.425
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -27.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -285.204470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.204470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.204470 (E_RNA)
where:
Base-Base interactions energy: -158.709
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.083
local terms energy: -126.413238
where:
bonds (distance) C4'-P energy: -33.873
bonds (distance) P-C4' energy: -38.753
flat angles C4'-P-C4' energy: -31.808
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -11.315
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: 107
Temperature: 1.300000
Total energy: -196.979559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.979559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.979559 (E_RNA)
where:
Base-Base interactions energy: -99.097
where: short stacking energy: -39.530
Base-Backbone interact. energy: -0.559
local terms energy: -97.323738
where:
bonds (distance) C4'-P energy: -33.987
bonds (distance) P-C4' energy: -31.622
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: 5.174
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: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -179.478643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.478643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.478643 (E_RNA)
where:
Base-Base interactions energy: -80.169
where: short stacking energy: -42.788
Base-Backbone interact. energy: 2.498
local terms energy: -101.807725
where:
bonds (distance) C4'-P energy: -33.447
bonds (distance) P-C4' energy: -37.004
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: 7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -683.575142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.575142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.575142 (E_RNA)
where:
Base-Base interactions energy: -472.397
where: short stacking energy: -194.587
Base-Backbone interact. energy: -0.606
local terms energy: -210.571874
where:
bonds (distance) C4'-P energy: -40.804
bonds (distance) P-C4' energy: -42.351
flat angles C4'-P-C4' energy: -44.488
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -60.442
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: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -653.344830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.344830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.344830 (E_RNA)
where:
Base-Base interactions energy: -450.093
where: short stacking energy: -184.780
Base-Backbone interact. energy: -2.032
local terms energy: -201.219484
where:
bonds (distance) C4'-P energy: -35.683
bonds (distance) P-C4' energy: -37.803
flat angles C4'-P-C4' energy: -44.726
flat angles P-C4'-P energy: -34.636
tors. eta vs tors. theta energy: -48.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -596.824696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.824696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.824696 (E_RNA)
where:
Base-Base interactions energy: -406.969
where: short stacking energy: -183.032
Base-Backbone interact. energy: 0.477
local terms energy: -190.332899
where:
bonds (distance) C4'-P energy: -37.931
bonds (distance) P-C4' energy: -36.992
flat angles C4'-P-C4' energy: -42.108
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -50.099
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: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -613.253818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.253818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.253818 (E_RNA)
where:
Base-Base interactions energy: -427.917
where: short stacking energy: -177.887
Base-Backbone interact. energy: 0.069
local terms energy: -185.406048
where:
bonds (distance) C4'-P energy: -37.262
bonds (distance) P-C4' energy: -36.761
flat angles C4'-P-C4' energy: -39.707
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: -47.033
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: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -474.689484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.689484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.689484 (E_RNA)
where:
Base-Base interactions energy: -303.385
where: short stacking energy: -130.435
Base-Backbone interact. energy: -2.468
local terms energy: -168.836911
where:
bonds (distance) C4'-P energy: -37.476
bonds (distance) P-C4' energy: -38.589
flat angles C4'-P-C4' energy: -23.716
flat angles P-C4'-P energy: -25.500
tors. eta vs tors. theta energy: -43.556
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: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -443.119272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.119272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.119272 (E_RNA)
where:
Base-Base interactions energy: -280.802
where: short stacking energy: -110.908
Base-Backbone interact. energy: -0.071
local terms energy: -162.246816
where:
bonds (distance) C4'-P energy: -38.163
bonds (distance) P-C4' energy: -35.564
flat angles C4'-P-C4' energy: -41.483
flat angles P-C4'-P energy: -25.133
tors. eta vs tors. theta energy: -21.904
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: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -386.698277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.698277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.698277 (E_RNA)
where:
Base-Base interactions energy: -228.515
where: short stacking energy: -105.440
Base-Backbone interact. energy: -2.152
local terms energy: -156.031768
where:
bonds (distance) C4'-P energy: -34.417
bonds (distance) P-C4' energy: -37.906
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -28.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -279.278716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.278716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.278716 (E_RNA)
where:
Base-Base interactions energy: -140.860
where: short stacking energy: -84.401
Base-Backbone interact. energy: -0.303
local terms energy: -138.114777
where:
bonds (distance) C4'-P energy: -33.348
bonds (distance) P-C4' energy: -36.361
flat angles C4'-P-C4' energy: -30.206
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -197.806210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.806210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.806210 (E_RNA)
where:
Base-Base interactions energy: -77.093
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.545
local terms energy: -120.168636
where:
bonds (distance) C4'-P energy: -36.238
bonds (distance) P-C4' energy: -38.731
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -176.972701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.972701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.972701 (E_RNA)
where:
Base-Base interactions energy: -56.742
where: short stacking energy: -53.481
Base-Backbone interact. energy: -1.760
local terms energy: -118.470381
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -34.196
flat angles C4'-P-C4' energy: -29.112
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -649.796770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.796770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.796770 (E_RNA)
where:
Base-Base interactions energy: -443.909
where: short stacking energy: -179.592
Base-Backbone interact. energy: -0.553
local terms energy: -205.334078
where:
bonds (distance) C4'-P energy: -38.061
bonds (distance) P-C4' energy: -41.388
flat angles C4'-P-C4' energy: -45.227
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -55.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -625.774790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.774790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.774790 (E_RNA)
where:
Base-Base interactions energy: -418.999
where: short stacking energy: -190.651
Base-Backbone interact. energy: -0.243
local terms energy: -206.532675
where:
bonds (distance) C4'-P energy: -36.132
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -45.437
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -57.652
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: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -639.290682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.290682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.290682 (E_RNA)
where:
Base-Base interactions energy: -438.441
where: short stacking energy: -176.351
Base-Backbone interact. energy: -2.121
local terms energy: -198.728424
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -42.633
flat angles C4'-P-C4' energy: -43.615
flat angles P-C4'-P energy: -27.705
tors. eta vs tors. theta energy: -49.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -606.051224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.051224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.051224 (E_RNA)
where:
Base-Base interactions energy: -409.585
where: short stacking energy: -170.077
Base-Backbone interact. energy: 0.395
local terms energy: -196.860932
where:
bonds (distance) C4'-P energy: -36.465
bonds (distance) P-C4' energy: -36.534
flat angles C4'-P-C4' energy: -43.285
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -55.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -470.432223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.432223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.432223 (E_RNA)
where:
Base-Base interactions energy: -299.949
where: short stacking energy: -116.114
Base-Backbone interact. energy: -0.489
local terms energy: -169.994665
where:
bonds (distance) C4'-P energy: -31.492
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -44.033
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -27.402
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: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -445.916443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.916443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.916443 (E_RNA)
where:
Base-Base interactions energy: -295.149
where: short stacking energy: -128.991
Base-Backbone interact. energy: -0.799
local terms energy: -149.968190
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -34.527
flat angles C4'-P-C4' energy: -36.879
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -26.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -403.816740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.816740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.816740 (E_RNA)
where:
Base-Base interactions energy: -239.033
where: short stacking energy: -123.054
Base-Backbone interact. energy: -1.188
local terms energy: -163.596505
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -35.522
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -28.587
tors. eta vs tors. theta energy: -31.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -285.384286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.384286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.384286 (E_RNA)
where:
Base-Base interactions energy: -145.136
where: short stacking energy: -75.022
Base-Backbone interact. energy: -1.425
local terms energy: -138.823323
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -38.552
flat angles C4'-P-C4' energy: -41.329
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -171.415035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.415035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.415035 (E_RNA)
where:
Base-Base interactions energy: -54.330
where: short stacking energy: -47.731
Base-Backbone interact. energy: -1.322
local terms energy: -115.762789
where:
bonds (distance) C4'-P energy: -36.163
bonds (distance) P-C4' energy: -36.613
flat angles C4'-P-C4' energy: -31.396
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: 7.705
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: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -184.928290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.928290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.928290 (E_RNA)
where:
Base-Base interactions energy: -73.367
where: short stacking energy: -45.281
Base-Backbone interact. energy: 0.649
local terms energy: -112.210400
where:
bonds (distance) C4'-P energy: -44.392
bonds (distance) P-C4' energy: -32.479
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: 1.204
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: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -673.518854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.518854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.518854 (E_RNA)
where:
Base-Base interactions energy: -470.529
where: short stacking energy: -187.892
Base-Backbone interact. energy: -1.296
local terms energy: -201.694278
where:
bonds (distance) C4'-P energy: -36.549
bonds (distance) P-C4' energy: -38.761
flat angles C4'-P-C4' energy: -45.815
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -53.480
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: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -633.639551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.639551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.639551 (E_RNA)
where:
Base-Base interactions energy: -435.412
where: short stacking energy: -192.375
Base-Backbone interact. energy: -0.967
local terms energy: -197.259887
where:
bonds (distance) C4'-P energy: -35.516
bonds (distance) P-C4' energy: -34.193
flat angles C4'-P-C4' energy: -44.067
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -62.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -619.112885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.112885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.112885 (E_RNA)
where:
Base-Base interactions energy: -417.731
where: short stacking energy: -174.772
Base-Backbone interact. energy: -1.074
local terms energy: -200.307436
where:
bonds (distance) C4'-P energy: -41.358
bonds (distance) P-C4' energy: -35.861
flat angles C4'-P-C4' energy: -47.505
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -47.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -612.458832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.458832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.458832 (E_RNA)
where:
Base-Base interactions energy: -434.232
where: short stacking energy: -186.036
Base-Backbone interact. energy: -2.101
local terms energy: -176.125581
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -32.318
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -29.736
tors. eta vs tors. theta energy: -51.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -470.616559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.616559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.616559 (E_RNA)
where:
Base-Base interactions energy: -307.484
where: short stacking energy: -134.694
Base-Backbone interact. energy: 0.406
local terms energy: -163.538530
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -38.913
flat angles C4'-P-C4' energy: -39.485
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -29.544
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: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -434.283550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.283550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.283550 (E_RNA)
where:
Base-Base interactions energy: -281.676
where: short stacking energy: -122.282
Base-Backbone interact. energy: 2.334
local terms energy: -154.941383
where:
bonds (distance) C4'-P energy: -31.492
bonds (distance) P-C4' energy: -36.882
flat angles C4'-P-C4' energy: -36.587
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -27.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -392.613623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.613623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.613623 (E_RNA)
where:
Base-Base interactions energy: -238.118
where: short stacking energy: -111.899
Base-Backbone interact. energy: -0.547
local terms energy: -153.947950
where:
bonds (distance) C4'-P energy: -30.425
bonds (distance) P-C4' energy: -28.418
flat angles C4'-P-C4' energy: -36.999
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -30.782
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: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -306.273102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.273102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.273102 (E_RNA)
where:
Base-Base interactions energy: -169.191
where: short stacking energy: -85.364
Base-Backbone interact. energy: -0.929
local terms energy: -136.153437
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -34.819
flat angles C4'-P-C4' energy: -44.329
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -12.140
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: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -182.434544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.434544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.434544 (E_RNA)
where:
Base-Base interactions energy: -66.896
where: short stacking energy: -54.867
Base-Backbone interact. energy: -1.172
local terms energy: -114.366845
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: 0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -162.794603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.794603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.794603 (E_RNA)
where:
Base-Base interactions energy: -54.034
where: short stacking energy: -45.153
Base-Backbone interact. energy: -0.181
local terms energy: -108.580379
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -37.280
flat angles C4'-P-C4' energy: -32.780
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: 5.000
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: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -674.709072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.709072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.709072 (E_RNA)
where:
Base-Base interactions energy: -467.005
where: short stacking energy: -192.395
Base-Backbone interact. energy: -0.608
local terms energy: -207.095653
where:
bonds (distance) C4'-P energy: -39.739
bonds (distance) P-C4' energy: -38.149
flat angles C4'-P-C4' energy: -44.396
flat angles P-C4'-P energy: -26.770
tors. eta vs tors. theta energy: -58.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -634.748547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.748547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.748547 (E_RNA)
where:
Base-Base interactions energy: -412.366
where: short stacking energy: -190.128
Base-Backbone interact. energy: -0.191
local terms energy: -222.191534
where:
bonds (distance) C4'-P energy: -38.244
bonds (distance) P-C4' energy: -44.398
flat angles C4'-P-C4' energy: -47.142
flat angles P-C4'-P energy: -26.771
tors. eta vs tors. theta energy: -65.636
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: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -619.270212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.270212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.270212 (E_RNA)
where:
Base-Base interactions energy: -420.056
where: short stacking energy: -164.715
Base-Backbone interact. energy: -0.879
local terms energy: -198.335842
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -41.486
flat angles C4'-P-C4' energy: -42.892
flat angles P-C4'-P energy: -28.777
tors. eta vs tors. theta energy: -47.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -603.405894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.405894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.405894 (E_RNA)
where:
Base-Base interactions energy: -410.615
where: short stacking energy: -166.114
Base-Backbone interact. energy: -2.124
local terms energy: -190.666201
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -46.117
flat angles P-C4'-P energy: -31.508
tors. eta vs tors. theta energy: -44.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -465.842635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.842635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.842635 (E_RNA)
where:
Base-Base interactions energy: -293.165
where: short stacking energy: -140.977
Base-Backbone interact. energy: 0.957
local terms energy: -173.634442
where:
bonds (distance) C4'-P energy: -34.297
bonds (distance) P-C4' energy: -34.360
flat angles C4'-P-C4' energy: -42.407
flat angles P-C4'-P energy: -24.640
tors. eta vs tors. theta energy: -37.931
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: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -441.852593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.852593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.852593 (E_RNA)
where:
Base-Base interactions energy: -281.037
where: short stacking energy: -134.736
Base-Backbone interact. energy: -0.557
local terms energy: -160.257970
where:
bonds (distance) C4'-P energy: -32.245
bonds (distance) P-C4' energy: -37.559
flat angles C4'-P-C4' energy: -34.426
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -35.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -391.300033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.300033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.300033 (E_RNA)
where:
Base-Base interactions energy: -241.163
where: short stacking energy: -108.856
Base-Backbone interact. energy: -1.458
local terms energy: -148.679555
where:
bonds (distance) C4'-P energy: -25.649
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -37.511
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -16.598
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: 111
Temperature: 1.250000
Total energy: -265.907902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.907902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.907902 (E_RNA)
where:
Base-Base interactions energy: -135.513
where: short stacking energy: -71.924
Base-Backbone interact. energy: 2.214
local terms energy: -132.608233
where:
bonds (distance) C4'-P energy: -29.870
bonds (distance) P-C4' energy: -41.163
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -175.333585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.333585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.333585 (E_RNA)
where:
Base-Base interactions energy: -56.892
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.730
local terms energy: -117.712270
where:
bonds (distance) C4'-P energy: -38.081
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: -3.691
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: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -166.491875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.491875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.491875 (E_RNA)
where:
Base-Base interactions energy: -56.187
where: short stacking energy: -38.782
Base-Backbone interact. energy: -1.994
local terms energy: -108.310995
where:
bonds (distance) C4'-P energy: -29.287
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -42.465
flat angles P-C4'-P energy: -23.797
tors. eta vs tors. theta energy: 14.527
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: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -674.128963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.128963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.128963 (E_RNA)
where:
Base-Base interactions energy: -460.295
where: short stacking energy: -187.151
Base-Backbone interact. energy: -1.288
local terms energy: -212.546075
where:
bonds (distance) C4'-P energy: -36.213
bonds (distance) P-C4' energy: -43.563
flat angles C4'-P-C4' energy: -44.042
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -60.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -607.777641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.777641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.777641 (E_RNA)
where:
Base-Base interactions energy: -398.873
where: short stacking energy: -174.328
Base-Backbone interact. energy: -0.488
local terms energy: -208.416929
where:
bonds (distance) C4'-P energy: -37.139
bonds (distance) P-C4' energy: -46.628
flat angles C4'-P-C4' energy: -43.006
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -56.646
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: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -618.960518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.960518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.960518 (E_RNA)
where:
Base-Base interactions energy: -438.028
where: short stacking energy: -179.327
Base-Backbone interact. energy: -2.070
local terms energy: -178.862329
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -38.095
flat angles C4'-P-C4' energy: -39.686
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -51.021
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: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -612.330463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.330463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.330463 (E_RNA)
where:
Base-Base interactions energy: -420.177
where: short stacking energy: -171.891
Base-Backbone interact. energy: -0.870
local terms energy: -191.283602
where:
bonds (distance) C4'-P energy: -36.870
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -41.154
flat angles P-C4'-P energy: -31.452
tors. eta vs tors. theta energy: -47.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -479.879941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.879941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.879941 (E_RNA)
where:
Base-Base interactions energy: -312.524
where: short stacking energy: -143.868
Base-Backbone interact. energy: -0.391
local terms energy: -166.965495
where:
bonds (distance) C4'-P energy: -40.841
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -42.637
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: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -442.424513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.424513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.424513 (E_RNA)
where:
Base-Base interactions energy: -275.100
where: short stacking energy: -124.377
Base-Backbone interact. energy: -0.992
local terms energy: -166.331768
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -40.237
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: -29.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -380.389318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.389318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.389318 (E_RNA)
where:
Base-Base interactions energy: -209.602
where: short stacking energy: -102.454
Base-Backbone interact. energy: -1.672
local terms energy: -169.114836
where:
bonds (distance) C4'-P energy: -38.035
bonds (distance) P-C4' energy: -35.394
flat angles C4'-P-C4' energy: -38.766
flat angles P-C4'-P energy: -30.349
tors. eta vs tors. theta energy: -26.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -273.778104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.778104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.778104 (E_RNA)
where:
Base-Base interactions energy: -153.314
where: short stacking energy: -79.515
Base-Backbone interact. energy: -0.960
local terms energy: -119.504285
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -35.303
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: -10.920
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: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -177.543527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.543527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.543527 (E_RNA)
where:
Base-Base interactions energy: -73.299
where: short stacking energy: -52.287
Base-Backbone interact. energy: -0.640
local terms energy: -103.604882
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -1.167
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: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -178.972720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.972720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.972720 (E_RNA)
where:
Base-Base interactions energy: -79.383
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.543
local terms energy: -99.046710
where:
bonds (distance) C4'-P energy: -34.669
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -18.617
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -672.210068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.210068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.210068 (E_RNA)
where:
Base-Base interactions energy: -458.714
where: short stacking energy: -183.852
Base-Backbone interact. energy: -1.028
local terms energy: -212.468526
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -39.329
flat angles C4'-P-C4' energy: -44.611
flat angles P-C4'-P energy: -35.719
tors. eta vs tors. theta energy: -55.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -633.199896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.199896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.199896 (E_RNA)
where:
Base-Base interactions energy: -438.577
where: short stacking energy: -177.419
Base-Backbone interact. energy: -1.036
local terms energy: -193.587368
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -41.278
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -31.338
tors. eta vs tors. theta energy: -49.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -608.989421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.989421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.989421 (E_RNA)
where:
Base-Base interactions energy: -399.090
where: short stacking energy: -176.424
Base-Backbone interact. energy: -0.938
local terms energy: -208.960773
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -40.992
flat angles C4'-P-C4' energy: -39.683
flat angles P-C4'-P energy: -21.658
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: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -593.118745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.118745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.118745 (E_RNA)
where:
Base-Base interactions energy: -401.340
where: short stacking energy: -168.670
Base-Backbone interact. energy: -1.743
local terms energy: -190.035573
where:
bonds (distance) C4'-P energy: -39.461
bonds (distance) P-C4' energy: -41.691
flat angles C4'-P-C4' energy: -36.832
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -45.024
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: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -465.264216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.264216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.264216 (E_RNA)
where:
Base-Base interactions energy: -284.545
where: short stacking energy: -138.462
Base-Backbone interact. energy: -0.432
local terms energy: -180.288022
where:
bonds (distance) C4'-P energy: -37.937
bonds (distance) P-C4' energy: -43.163
flat angles C4'-P-C4' energy: -36.831
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -36.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -448.305094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.305094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.305094 (E_RNA)
where:
Base-Base interactions energy: -268.075
where: short stacking energy: -130.516
Base-Backbone interact. energy: 0.863
local terms energy: -181.093849
where:
bonds (distance) C4'-P energy: -41.664
bonds (distance) P-C4' energy: -35.821
flat angles C4'-P-C4' energy: -45.532
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -35.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -370.991209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.991209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.991209 (E_RNA)
where:
Base-Base interactions energy: -212.784
where: short stacking energy: -112.590
Base-Backbone interact. energy: -0.983
local terms energy: -157.224372
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -44.802
flat angles C4'-P-C4' energy: -34.435
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -267.049260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.049260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.049260 (E_RNA)
where:
Base-Base interactions energy: -127.632
where: short stacking energy: -81.023
Base-Backbone interact. energy: -0.558
local terms energy: -138.858868
where:
bonds (distance) C4'-P energy: -35.503
bonds (distance) P-C4' energy: -38.360
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -20.882
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -174.436297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.436297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.436297 (E_RNA)
where:
Base-Base interactions energy: -51.236
where: short stacking energy: -38.376
Base-Backbone interact. energy: 0.659
local terms energy: -123.859351
where:
bonds (distance) C4'-P energy: -31.192
bonds (distance) P-C4' energy: -38.841
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: 4.180
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: 113
Temperature: 1.350000
Total energy: -175.469609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.469609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.469609 (E_RNA)
where:
Base-Base interactions energy: -52.802
where: short stacking energy: -42.961
Base-Backbone interact. energy: 1.690
local terms energy: -124.357067
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -38.596
flat angles C4'-P-C4' energy: -37.255
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: 5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -677.364521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.364521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.364521 (E_RNA)
where:
Base-Base interactions energy: -472.239
where: short stacking energy: -183.995
Base-Backbone interact. energy: 0.235
local terms energy: -205.361069
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -43.422
flat angles C4'-P-C4' energy: -39.624
flat angles P-C4'-P energy: -29.782
tors. eta vs tors. theta energy: -54.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -633.763867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.763867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.763867 (E_RNA)
where:
Base-Base interactions energy: -438.338
where: short stacking energy: -177.452
Base-Backbone interact. energy: -1.256
local terms energy: -194.170394
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -36.952
flat angles C4'-P-C4' energy: -44.262
flat angles P-C4'-P energy: -31.378
tors. eta vs tors. theta energy: -50.405
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: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -593.868205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.868205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.868205 (E_RNA)
where:
Base-Base interactions energy: -386.240
where: short stacking energy: -174.159
Base-Backbone interact. energy: -1.571
local terms energy: -206.057697
where:
bonds (distance) C4'-P energy: -39.153
bonds (distance) P-C4' energy: -45.318
flat angles C4'-P-C4' energy: -40.534
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -51.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -581.823284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.823284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.823284 (E_RNA)
where:
Base-Base interactions energy: -390.045
where: short stacking energy: -166.922
Base-Backbone interact. energy: -0.750
local terms energy: -191.028543
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -38.240
flat angles C4'-P-C4' energy: -43.800
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -50.047
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: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -472.328732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.328732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.328732 (E_RNA)
where:
Base-Base interactions energy: -299.863
where: short stacking energy: -143.311
Base-Backbone interact. energy: -0.795
local terms energy: -171.670565
where:
bonds (distance) C4'-P energy: -39.215
bonds (distance) P-C4' energy: -40.042
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -22.574
tors. eta vs tors. theta energy: -34.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -474.707446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.707446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.707446 (E_RNA)
where:
Base-Base interactions energy: -305.878
where: short stacking energy: -132.353
Base-Backbone interact. energy: 0.192
local terms energy: -169.022084
where:
bonds (distance) C4'-P energy: -29.052
bonds (distance) P-C4' energy: -38.548
flat angles C4'-P-C4' energy: -41.399
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -38.077
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: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -362.904205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.904205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.904205 (E_RNA)
where:
Base-Base interactions energy: -214.670
where: short stacking energy: -102.561
Base-Backbone interact. energy: -0.542
local terms energy: -147.692368
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -36.742
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -27.244
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: 114
Temperature: 1.250000
Total energy: -286.920778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.920778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.920778 (E_RNA)
where:
Base-Base interactions energy: -143.773
where: short stacking energy: -80.720
Base-Backbone interact. energy: -0.581
local terms energy: -142.567237
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -33.513
flat angles C4'-P-C4' energy: -40.147
flat angles P-C4'-P energy: -16.712
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: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -184.689560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.689560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.689560 (E_RNA)
where:
Base-Base interactions energy: -71.291
where: short stacking energy: -64.736
Base-Backbone interact. energy: -0.319
local terms energy: -113.080198
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -37.134
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -168.376195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.376195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.376195 (E_RNA)
where:
Base-Base interactions energy: -70.014
where: short stacking energy: -53.233
Base-Backbone interact. energy: -1.096
local terms energy: -97.266370
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -35.742
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: 15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -689.904305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.904305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.904305 (E_RNA)
where:
Base-Base interactions energy: -473.442
where: short stacking energy: -205.268
Base-Backbone interact. energy: -0.929
local terms energy: -215.533729
where:
bonds (distance) C4'-P energy: -43.679
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -46.716
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -61.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -618.033574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.033574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.033574 (E_RNA)
where:
Base-Base interactions energy: -417.488
where: short stacking energy: -188.149
Base-Backbone interact. energy: -0.839
local terms energy: -199.706361
where:
bonds (distance) C4'-P energy: -44.641
bonds (distance) P-C4' energy: -34.345
flat angles C4'-P-C4' energy: -42.026
flat angles P-C4'-P energy: -22.720
tors. eta vs tors. theta energy: -55.975
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: 115
Temperature: 1.000000
Total energy: -628.369551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.369551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.369551 (E_RNA)
where:
Base-Base interactions energy: -432.210
where: short stacking energy: -186.557
Base-Backbone interact. energy: -1.472
local terms energy: -194.687532
where:
bonds (distance) C4'-P energy: -36.558
bonds (distance) P-C4' energy: -38.822
flat angles C4'-P-C4' energy: -39.706
flat angles P-C4'-P energy: -28.894
tors. eta vs tors. theta energy: -50.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -584.341981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.341981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.341981 (E_RNA)
where:
Base-Base interactions energy: -404.190
where: short stacking energy: -170.326
Base-Backbone interact. energy: -0.783
local terms energy: -179.369237
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -39.409
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -46.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -433.273234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.273234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.273234 (E_RNA)
where:
Base-Base interactions energy: -275.018
where: short stacking energy: -128.562
Base-Backbone interact. energy: 1.163
local terms energy: -159.418645
where:
bonds (distance) C4'-P energy: -29.880
bonds (distance) P-C4' energy: -39.681
flat angles C4'-P-C4' energy: -38.129
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -34.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -467.245369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.245369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.245369 (E_RNA)
where:
Base-Base interactions energy: -296.213
where: short stacking energy: -135.283
Base-Backbone interact. energy: -0.782
local terms energy: -170.250360
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -44.177
flat angles C4'-P-C4' energy: -36.957
flat angles P-C4'-P energy: -27.193
tors. eta vs tors. theta energy: -33.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -358.738944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.738944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.738944 (E_RNA)
where:
Base-Base interactions energy: -207.402
where: short stacking energy: -100.855
Base-Backbone interact. energy: -0.895
local terms energy: -150.442673
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -43.099
flat angles C4'-P-C4' energy: -32.432
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -24.312
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: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -312.981133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.981133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.981133 (E_RNA)
where:
Base-Base interactions energy: -176.527
where: short stacking energy: -78.641
Base-Backbone interact. energy: 1.077
local terms energy: -137.531014
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -36.242
flat angles C4'-P-C4' energy: -36.574
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -14.888
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: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -191.880819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.880819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.880819 (E_RNA)
where:
Base-Base interactions energy: -63.708
where: short stacking energy: -44.689
Base-Backbone interact. energy: -1.368
local terms energy: -126.804703
where:
bonds (distance) C4'-P energy: -39.938
bonds (distance) P-C4' energy: -32.738
flat angles C4'-P-C4' energy: -39.547
flat angles P-C4'-P energy: -14.443
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: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -163.787841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.787841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.787841 (E_RNA)
where:
Base-Base interactions energy: -54.980
where: short stacking energy: -54.182
Base-Backbone interact. energy: -0.553
local terms energy: -108.254723
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -24.397
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -691.861706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.861706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.861706 (E_RNA)
where:
Base-Base interactions energy: -472.942
where: short stacking energy: -201.345
Base-Backbone interact. energy: -0.481
local terms energy: -218.438944
where:
bonds (distance) C4'-P energy: -43.693
bonds (distance) P-C4' energy: -36.325
flat angles C4'-P-C4' energy: -43.526
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -64.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -625.100262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.100262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.100262 (E_RNA)
where:
Base-Base interactions energy: -403.091
where: short stacking energy: -173.721
Base-Backbone interact. energy: -2.238
local terms energy: -219.771758
where:
bonds (distance) C4'-P energy: -43.396
bonds (distance) P-C4' energy: -46.019
flat angles C4'-P-C4' energy: -43.930
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -59.731
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: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -624.953880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.953880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.953880 (E_RNA)
where:
Base-Base interactions energy: -429.264
where: short stacking energy: -171.177
Base-Backbone interact. energy: -0.839
local terms energy: -194.851048
where:
bonds (distance) C4'-P energy: -34.867
bonds (distance) P-C4' energy: -38.298
flat angles C4'-P-C4' energy: -43.725
flat angles P-C4'-P energy: -28.469
tors. eta vs tors. theta energy: -49.492
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: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -608.228737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.228737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.228737 (E_RNA)
where:
Base-Base interactions energy: -416.221
where: short stacking energy: -166.646
Base-Backbone interact. energy: 0.183
local terms energy: -192.191123
where:
bonds (distance) C4'-P energy: -37.198
bonds (distance) P-C4' energy: -38.083
flat angles C4'-P-C4' energy: -35.168
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: -52.213
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: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -470.186103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.186103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.186103 (E_RNA)
where:
Base-Base interactions energy: -285.669
where: short stacking energy: -128.678
Base-Backbone interact. energy: -0.367
local terms energy: -184.149252
where:
bonds (distance) C4'-P energy: -44.224
bonds (distance) P-C4' energy: -38.221
flat angles C4'-P-C4' energy: -42.507
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -35.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -454.039963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.039963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.039963 (E_RNA)
where:
Base-Base interactions energy: -285.753
where: short stacking energy: -118.436
Base-Backbone interact. energy: -0.584
local terms energy: -167.702684
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -43.681
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -35.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -379.987669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.987669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.987669 (E_RNA)
where:
Base-Base interactions energy: -212.828
where: short stacking energy: -114.975
Base-Backbone interact. energy: -0.828
local terms energy: -166.331514
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -41.179
flat angles C4'-P-C4' energy: -35.268
flat angles P-C4'-P energy: -29.086
tors. eta vs tors. theta energy: -27.730
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: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -326.758776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.758776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.758776 (E_RNA)
where:
Base-Base interactions energy: -171.245
where: short stacking energy: -96.496
Base-Backbone interact. energy: -0.431
local terms energy: -155.081949
where:
bonds (distance) C4'-P energy: -38.893
bonds (distance) P-C4' energy: -34.274
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -25.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -198.950165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.950165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.950165 (E_RNA)
where:
Base-Base interactions energy: -68.514
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.678
local terms energy: -129.757577
where:
bonds (distance) C4'-P energy: -34.640
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -32.492
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -3.442
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: 10, replica: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -156.639444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.639444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.639444 (E_RNA)
where:
Base-Base interactions energy: -52.112
where: short stacking energy: -45.024
Base-Backbone interact. energy: 2.058
local terms energy: -106.585151
where:
bonds (distance) C4'-P energy: -32.309
bonds (distance) P-C4' energy: -30.720
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: 7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -707.475166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.475166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.475166 (E_RNA)
where:
Base-Base interactions energy: -490.215
where: short stacking energy: -199.797
Base-Backbone interact. energy: -1.325
local terms energy: -215.935964
where:
bonds (distance) C4'-P energy: -34.324
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -47.519
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -64.054
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: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -639.629583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.629583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.629583 (E_RNA)
where:
Base-Base interactions energy: -436.634
where: short stacking energy: -180.308
Base-Backbone interact. energy: -1.500
local terms energy: -201.495851
where:
bonds (distance) C4'-P energy: -38.813
bonds (distance) P-C4' energy: -39.609
flat angles C4'-P-C4' energy: -38.353
flat angles P-C4'-P energy: -35.459
tors. eta vs tors. theta energy: -49.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -607.862036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.862036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.862036 (E_RNA)
where:
Base-Base interactions energy: -392.402
where: short stacking energy: -184.552
Base-Backbone interact. energy: 0.198
local terms energy: -215.658532
where:
bonds (distance) C4'-P energy: -37.027
bonds (distance) P-C4' energy: -38.817
flat angles C4'-P-C4' energy: -47.699
flat angles P-C4'-P energy: -28.292
tors. eta vs tors. theta energy: -63.823
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: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -610.991876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.991876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.991876 (E_RNA)
where:
Base-Base interactions energy: -424.749
where: short stacking energy: -178.252
Base-Backbone interact. energy: -1.164
local terms energy: -185.079005
where:
bonds (distance) C4'-P energy: -36.953
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -27.601
tors. eta vs tors. theta energy: -50.449
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: 117
Temperature: 1.100000
Total energy: -494.543986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.543986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.543986 (E_RNA)
where:
Base-Base interactions energy: -302.771
where: short stacking energy: -141.338
Base-Backbone interact. energy: -1.657
local terms energy: -190.115602
where:
bonds (distance) C4'-P energy: -37.541
bonds (distance) P-C4' energy: -39.569
flat angles C4'-P-C4' energy: -43.843
flat angles P-C4'-P energy: -29.691
tors. eta vs tors. theta energy: -39.471
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: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -380.172169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.172169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.172169 (E_RNA)
where:
Base-Base interactions energy: -227.240
where: short stacking energy: -119.757
Base-Backbone interact. energy: -0.791
local terms energy: -152.141626
where:
bonds (distance) C4'-P energy: -29.833
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -41.264
flat angles P-C4'-P energy: -27.378
tors. eta vs tors. theta energy: -24.722
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: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -442.856284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.856284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.856284 (E_RNA)
where:
Base-Base interactions energy: -291.062
where: short stacking energy: -126.827
Base-Backbone interact. energy: 0.662
local terms energy: -152.456393
where:
bonds (distance) C4'-P energy: -35.930
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -24.364
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: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -295.000541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.000541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.000541 (E_RNA)
where:
Base-Base interactions energy: -154.918
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.555
local terms energy: -139.528079
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -33.352
flat angles C4'-P-C4' energy: -38.936
flat angles P-C4'-P energy: -29.556
tors. eta vs tors. theta energy: -9.510
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: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -189.861226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.861226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.861226 (E_RNA)
where:
Base-Base interactions energy: -59.557
where: short stacking energy: -41.350
Base-Backbone interact. energy: -1.072
local terms energy: -129.232062
where:
bonds (distance) C4'-P energy: -34.973
bonds (distance) P-C4' energy: -39.770
flat angles C4'-P-C4' energy: -33.844
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -171.561156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.561156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.561156 (E_RNA)
where:
Base-Base interactions energy: -55.768
where: short stacking energy: -39.833
Base-Backbone interact. energy: 0.070
local terms energy: -115.863825
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -31.320
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -23.017
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: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -677.730563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.730563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.730563 (E_RNA)
where:
Base-Base interactions energy: -467.003
where: short stacking energy: -192.500
Base-Backbone interact. energy: -0.166
local terms energy: -210.561443
where:
bonds (distance) C4'-P energy: -34.350
bonds (distance) P-C4' energy: -42.150
flat angles C4'-P-C4' energy: -40.078
flat angles P-C4'-P energy: -31.651
tors. eta vs tors. theta energy: -62.333
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: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -649.726297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.726297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.726297 (E_RNA)
where:
Base-Base interactions energy: -449.927
where: short stacking energy: -184.858
Base-Backbone interact. energy: -1.192
local terms energy: -198.607162
where:
bonds (distance) C4'-P energy: -41.858
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -39.604
flat angles P-C4'-P energy: -27.944
tors. eta vs tors. theta energy: -52.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -628.136183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.136183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.136183 (E_RNA)
where:
Base-Base interactions energy: -429.475
where: short stacking energy: -179.865
Base-Backbone interact. energy: 0.743
local terms energy: -199.404510
where:
bonds (distance) C4'-P energy: -32.730
bonds (distance) P-C4' energy: -42.499
flat angles C4'-P-C4' energy: -44.719
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -55.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -604.625529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.625529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.625529 (E_RNA)
where:
Base-Base interactions energy: -411.428
where: short stacking energy: -177.392
Base-Backbone interact. energy: 0.400
local terms energy: -193.597036
where:
bonds (distance) C4'-P energy: -35.446
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -39.734
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -58.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -493.795674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.795674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.795674 (E_RNA)
where:
Base-Base interactions energy: -310.074
where: short stacking energy: -129.105
Base-Backbone interact. energy: 1.238
local terms energy: -184.960269
where:
bonds (distance) C4'-P energy: -36.929
bonds (distance) P-C4' energy: -46.568
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -26.702
tors. eta vs tors. theta energy: -37.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -392.067293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.067293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.067293 (E_RNA)
where:
Base-Base interactions energy: -224.994
where: short stacking energy: -114.570
Base-Backbone interact. energy: -0.725
local terms energy: -166.347847
where:
bonds (distance) C4'-P energy: -34.395
bonds (distance) P-C4' energy: -43.271
flat angles C4'-P-C4' energy: -40.639
flat angles P-C4'-P energy: -24.462
tors. eta vs tors. theta energy: -23.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -434.348763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.348763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.348763 (E_RNA)
where:
Base-Base interactions energy: -279.121
where: short stacking energy: -120.179
Base-Backbone interact. energy: -1.431
local terms energy: -153.796476
where:
bonds (distance) C4'-P energy: -36.488
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -308.741575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.741575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.741575 (E_RNA)
where:
Base-Base interactions energy: -170.973
where: short stacking energy: -81.678
Base-Backbone interact. energy: 0.240
local terms energy: -138.008727
where:
bonds (distance) C4'-P energy: -39.570
bonds (distance) P-C4' energy: -35.772
flat angles C4'-P-C4' energy: -39.526
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -14.566
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: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -190.420756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.420756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.420756 (E_RNA)
where:
Base-Base interactions energy: -69.351
where: short stacking energy: -45.818
Base-Backbone interact. energy: 0.304
local terms energy: -121.373662
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -39.002
flat angles C4'-P-C4' energy: -29.345
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -189.723305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.723305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.723305 (E_RNA)
where:
Base-Base interactions energy: -78.013
where: short stacking energy: -47.753
Base-Backbone interact. energy: 0.276
local terms energy: -111.986992
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -33.594
flat angles C4'-P-C4' energy: -35.133
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -693.910686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.910686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.910686 (E_RNA)
where:
Base-Base interactions energy: -468.498
where: short stacking energy: -199.421
Base-Backbone interact. energy: -0.452
local terms energy: -224.959897
where:
bonds (distance) C4'-P energy: -42.852
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -44.732
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -62.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -636.921588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.921588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.921588 (E_RNA)
where:
Base-Base interactions energy: -451.955
where: short stacking energy: -175.764
Base-Backbone interact. energy: -2.919
local terms energy: -182.047404
where:
bonds (distance) C4'-P energy: -35.592
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -41.974
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -52.774
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: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -621.302612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.302612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.302612 (E_RNA)
where:
Base-Base interactions energy: -424.505
where: short stacking energy: -184.227
Base-Backbone interact. energy: -0.717
local terms energy: -196.080717
where:
bonds (distance) C4'-P energy: -38.136
bonds (distance) P-C4' energy: -36.549
flat angles C4'-P-C4' energy: -35.085
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: -59.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -585.425722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.425722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.425722 (E_RNA)
where:
Base-Base interactions energy: -394.520
where: short stacking energy: -166.998
Base-Backbone interact. energy: 0.358
local terms energy: -191.264024
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -38.527
flat angles C4'-P-C4' energy: -37.236
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -54.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -514.749508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.749508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.749508 (E_RNA)
where:
Base-Base interactions energy: -345.607
where: short stacking energy: -141.218
Base-Backbone interact. energy: -1.067
local terms energy: -168.075999
where:
bonds (distance) C4'-P energy: -38.560
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -43.100
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: -35.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -441.979133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.979133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.979133 (E_RNA)
where:
Base-Base interactions energy: -285.900
where: short stacking energy: -121.044
Base-Backbone interact. energy: 0.499
local terms energy: -156.578056
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -35.876
flat angles P-C4'-P energy: -23.097
tors. eta vs tors. theta energy: -26.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -364.638098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.638098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.638098 (E_RNA)
where:
Base-Base interactions energy: -203.029
where: short stacking energy: -96.982
Base-Backbone interact. energy: -0.600
local terms energy: -161.008885
where:
bonds (distance) C4'-P energy: -35.596
bonds (distance) P-C4' energy: -37.585
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -26.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -290.238872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.238872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.238872 (E_RNA)
where:
Base-Base interactions energy: -150.767
where: short stacking energy: -77.165
Base-Backbone interact. energy: -0.595
local terms energy: -138.876809
where:
bonds (distance) C4'-P energy: -33.598
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -177.724607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.724607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.724607 (E_RNA)
where:
Base-Base interactions energy: -49.136
where: short stacking energy: -45.854
Base-Backbone interact. energy: -1.069
local terms energy: -127.519748
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -41.297
flat angles C4'-P-C4' energy: -34.614
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -179.443477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.443477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.443477 (E_RNA)
where:
Base-Base interactions energy: -69.367
where: short stacking energy: -53.076
Base-Backbone interact. energy: -2.750
local terms energy: -107.326608
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -33.527
flat angles C4'-P-C4' energy: -25.626
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -687.045446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.045446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.045446 (E_RNA)
where:
Base-Base interactions energy: -463.387
where: short stacking energy: -196.876
Base-Backbone interact. energy: -0.934
local terms energy: -222.724639
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -42.629
flat angles C4'-P-C4' energy: -50.614
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -64.376
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: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -638.186671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.186671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.186671 (E_RNA)
where:
Base-Base interactions energy: -430.331
where: short stacking energy: -174.212
Base-Backbone interact. energy: -1.090
local terms energy: -206.765605
where:
bonds (distance) C4'-P energy: -40.555
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -42.000
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: -54.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -624.642783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.642783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.642783 (E_RNA)
where:
Base-Base interactions energy: -418.268
where: short stacking energy: -175.423
Base-Backbone interact. energy: 0.532
local terms energy: -206.906584
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -35.868
flat angles C4'-P-C4' energy: -41.728
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -54.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -562.815085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.815085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.815085 (E_RNA)
where:
Base-Base interactions energy: -375.850
where: short stacking energy: -188.538
Base-Backbone interact. energy: -2.095
local terms energy: -184.869956
where:
bonds (distance) C4'-P energy: -26.430
bonds (distance) P-C4' energy: -40.592
flat angles C4'-P-C4' energy: -41.389
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -55.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -509.396250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.396250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.396250 (E_RNA)
where:
Base-Base interactions energy: -327.843
where: short stacking energy: -131.123
Base-Backbone interact. energy: -0.579
local terms energy: -180.974102
where:
bonds (distance) C4'-P energy: -37.517
bonds (distance) P-C4' energy: -43.543
flat angles C4'-P-C4' energy: -41.291
flat angles P-C4'-P energy: -27.985
tors. eta vs tors. theta energy: -30.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -471.135227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.135227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.135227 (E_RNA)
where:
Base-Base interactions energy: -311.012
where: short stacking energy: -138.119
Base-Backbone interact. energy: -0.365
local terms energy: -159.758985
where:
bonds (distance) C4'-P energy: -25.648
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -36.442
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: -34.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -361.201811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.201811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.201811 (E_RNA)
where:
Base-Base interactions energy: -213.545
where: short stacking energy: -103.449
Base-Backbone interact. energy: 0.114
local terms energy: -147.770124
where:
bonds (distance) C4'-P energy: -37.607
bonds (distance) P-C4' energy: -36.574
flat angles C4'-P-C4' energy: -33.550
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -18.782
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: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -254.887346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.887346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.887346 (E_RNA)
where:
Base-Base interactions energy: -138.538
where: short stacking energy: -80.687
Base-Backbone interact. energy: 0.810
local terms energy: -117.159115
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -28.992
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -183.495241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.495241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.495241 (E_RNA)
where:
Base-Base interactions energy: -56.164
where: short stacking energy: -50.270
Base-Backbone interact. energy: -0.762
local terms energy: -126.568664
where:
bonds (distance) C4'-P energy: -39.667
bonds (distance) P-C4' energy: -37.763
flat angles C4'-P-C4' energy: -33.864
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: 3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -184.031044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.031044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.031044 (E_RNA)
where:
Base-Base interactions energy: -66.483
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.739
local terms energy: -116.809414
where:
bonds (distance) C4'-P energy: -37.878
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -689.284594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.284594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.284594 (E_RNA)
where:
Base-Base interactions energy: -468.514
where: short stacking energy: -197.025
Base-Backbone interact. energy: -0.694
local terms energy: -220.077242
where:
bonds (distance) C4'-P energy: -43.678
bonds (distance) P-C4' energy: -38.669
flat angles C4'-P-C4' energy: -49.788
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -64.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -633.221669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.221669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.221669 (E_RNA)
where:
Base-Base interactions energy: -436.447
where: short stacking energy: -177.872
Base-Backbone interact. energy: -1.908
local terms energy: -194.866878
where:
bonds (distance) C4'-P energy: -40.298
bonds (distance) P-C4' energy: -37.601
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -34.495
tors. eta vs tors. theta energy: -46.538
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: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -630.280810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.280810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.280810 (E_RNA)
where:
Base-Base interactions energy: -428.909
where: short stacking energy: -171.341
Base-Backbone interact. energy: -0.751
local terms energy: -200.620551
where:
bonds (distance) C4'-P energy: -42.003
bonds (distance) P-C4' energy: -41.008
flat angles C4'-P-C4' energy: -38.926
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: -51.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -521.340475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.340475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.340475 (E_RNA)
where:
Base-Base interactions energy: -355.704
where: short stacking energy: -156.010
Base-Backbone interact. energy: -2.001
local terms energy: -163.635320
where:
bonds (distance) C4'-P energy: -33.769
bonds (distance) P-C4' energy: -32.773
flat angles C4'-P-C4' energy: -36.549
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -34.248
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: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -554.335333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.335333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.335333 (E_RNA)
where:
Base-Base interactions energy: -346.167
where: short stacking energy: -162.540
Base-Backbone interact. energy: -0.261
local terms energy: -207.907261
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -40.611
flat angles C4'-P-C4' energy: -41.032
flat angles P-C4'-P energy: -27.912
tors. eta vs tors. theta energy: -59.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -457.453470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.453470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.453470 (E_RNA)
where:
Base-Base interactions energy: -290.469
where: short stacking energy: -144.226
Base-Backbone interact. energy: -0.373
local terms energy: -166.611534
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -35.207
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -42.182
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: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -361.321483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.321483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.321483 (E_RNA)
where:
Base-Base interactions energy: -200.678
where: short stacking energy: -111.746
Base-Backbone interact. energy: 0.944
local terms energy: -161.587084
where:
bonds (distance) C4'-P energy: -38.523
bonds (distance) P-C4' energy: -38.569
flat angles C4'-P-C4' energy: -37.279
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -27.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -267.765133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.765133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.765133 (E_RNA)
where:
Base-Base interactions energy: -137.083
where: short stacking energy: -85.644
Base-Backbone interact. energy: -0.466
local terms energy: -130.216005
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -36.462
flat angles C4'-P-C4' energy: -33.059
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -16.730
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: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -186.410273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.410273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.410273 (E_RNA)
where:
Base-Base interactions energy: -67.015
where: short stacking energy: -53.591
Base-Backbone interact. energy: -0.252
local terms energy: -119.143264
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -169.809188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.809188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.809188 (E_RNA)
where:
Base-Base interactions energy: -62.961
where: short stacking energy: -53.392
Base-Backbone interact. energy: -1.410
local terms energy: -105.438068
where:
bonds (distance) C4'-P energy: -27.999
bonds (distance) P-C4' energy: -38.984
flat angles C4'-P-C4' energy: -26.718
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: 4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -697.144863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.144863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.144863 (E_RNA)
where:
Base-Base interactions energy: -482.961
where: short stacking energy: -206.437
Base-Backbone interact. energy: -0.018
local terms energy: -214.165712
where:
bonds (distance) C4'-P energy: -35.701
bonds (distance) P-C4' energy: -43.174
flat angles C4'-P-C4' energy: -46.329
flat angles P-C4'-P energy: -25.659
tors. eta vs tors. theta energy: -63.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -666.022628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.022628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.022628 (E_RNA)
where:
Base-Base interactions energy: -465.448
where: short stacking energy: -179.741
Base-Backbone interact. energy: -0.536
local terms energy: -200.039416
where:
bonds (distance) C4'-P energy: -43.324
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -43.644
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -48.962
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: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -615.944690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.944690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.944690 (E_RNA)
where:
Base-Base interactions energy: -415.008
where: short stacking energy: -163.592
Base-Backbone interact. energy: -1.933
local terms energy: -199.003965
where:
bonds (distance) C4'-P energy: -36.341
bonds (distance) P-C4' energy: -40.562
flat angles C4'-P-C4' energy: -43.314
flat angles P-C4'-P energy: -28.603
tors. eta vs tors. theta energy: -50.185
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: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -486.480545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.480545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.480545 (E_RNA)
where:
Base-Base interactions energy: -315.963
where: short stacking energy: -141.918
Base-Backbone interact. energy: -0.916
local terms energy: -169.601871
where:
bonds (distance) C4'-P energy: -36.169
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -39.551
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -36.084
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: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -533.690561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.690561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.690561 (E_RNA)
where:
Base-Base interactions energy: -357.646
where: short stacking energy: -165.947
Base-Backbone interact. energy: -0.291
local terms energy: -175.753567
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -42.371
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -51.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -454.418051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.418051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.418051 (E_RNA)
where:
Base-Base interactions energy: -298.856
where: short stacking energy: -132.054
Base-Backbone interact. energy: 1.646
local terms energy: -157.208400
where:
bonds (distance) C4'-P energy: -40.139
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -30.930
flat angles P-C4'-P energy: -24.133
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -354.393229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.393229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.393229 (E_RNA)
where:
Base-Base interactions energy: -209.266
where: short stacking energy: -101.311
Base-Backbone interact. energy: 0.503
local terms energy: -145.630313
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -40.094
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -31.622
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: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -270.554587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.554587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.554587 (E_RNA)
where:
Base-Base interactions energy: -127.389
where: short stacking energy: -77.549
Base-Backbone interact. energy: -1.240
local terms energy: -141.926349
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -36.521
flat angles C4'-P-C4' energy: -42.125
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -20.610
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: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -205.629712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.629712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.629712 (E_RNA)
where:
Base-Base interactions energy: -65.846
where: short stacking energy: -64.988
Base-Backbone interact. energy: -1.358
local terms energy: -138.425635
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -40.324
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -170.662294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.662294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.662294 (E_RNA)
where:
Base-Base interactions energy: -64.423
where: short stacking energy: -34.749
Base-Backbone interact. energy: -0.278
local terms energy: -105.960933
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -44.109
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: 11.879
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: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -704.915315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.915315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.915315 (E_RNA)
where:
Base-Base interactions energy: -489.956
where: short stacking energy: -210.399
Base-Backbone interact. energy: -1.861
local terms energy: -213.097494
where:
bonds (distance) C4'-P energy: -38.956
bonds (distance) P-C4' energy: -40.025
flat angles C4'-P-C4' energy: -44.335
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -63.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -647.436982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.436982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.436982 (E_RNA)
where:
Base-Base interactions energy: -468.190
where: short stacking energy: -177.961
Base-Backbone interact. energy: -1.089
local terms energy: -178.157925
where:
bonds (distance) C4'-P energy: -40.335
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -39.109
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -50.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -585.391716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.391716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.391716 (E_RNA)
where:
Base-Base interactions energy: -398.512
where: short stacking energy: -170.062
Base-Backbone interact. energy: 0.053
local terms energy: -186.932972
where:
bonds (distance) C4'-P energy: -31.924
bonds (distance) P-C4' energy: -39.481
flat angles C4'-P-C4' energy: -41.367
flat angles P-C4'-P energy: -23.136
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: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -548.543535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.543535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.543535 (E_RNA)
where:
Base-Base interactions energy: -364.843
where: short stacking energy: -161.842
Base-Backbone interact. energy: -0.760
local terms energy: -182.940621
where:
bonds (distance) C4'-P energy: -34.443
bonds (distance) P-C4' energy: -39.530
flat angles C4'-P-C4' energy: -33.587
flat angles P-C4'-P energy: -27.404
tors. eta vs tors. theta energy: -47.977
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: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -470.219507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.219507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.219507 (E_RNA)
where:
Base-Base interactions energy: -291.653
where: short stacking energy: -126.592
Base-Backbone interact. energy: 0.048
local terms energy: -178.613877
where:
bonds (distance) C4'-P energy: -41.430
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -38.938
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -38.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -456.576662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.576662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.576662 (E_RNA)
where:
Base-Base interactions energy: -276.431
where: short stacking energy: -131.232
Base-Backbone interact. energy: -1.373
local terms energy: -178.772474
where:
bonds (distance) C4'-P energy: -38.112
bonds (distance) P-C4' energy: -36.612
flat angles C4'-P-C4' energy: -39.415
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -37.119
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: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -366.664250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.664250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.664250 (E_RNA)
where:
Base-Base interactions energy: -225.801
where: short stacking energy: -110.635
Base-Backbone interact. energy: -0.505
local terms energy: -140.357901
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -35.763
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -307.001546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.001546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.001546 (E_RNA)
where:
Base-Base interactions energy: -165.352
where: short stacking energy: -78.193
Base-Backbone interact. energy: 0.507
local terms energy: -142.155936
where:
bonds (distance) C4'-P energy: -35.908
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -183.942178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.942178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.942178 (E_RNA)
where:
Base-Base interactions energy: -63.845
where: short stacking energy: -43.086
Base-Backbone interact. energy: -0.612
local terms energy: -119.485714
where:
bonds (distance) C4'-P energy: -41.258
bonds (distance) P-C4' energy: -37.868
flat angles C4'-P-C4' energy: -28.967
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: 2.890
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: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -166.964778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.964778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.964778 (E_RNA)
where:
Base-Base interactions energy: -51.870
where: short stacking energy: -48.366
Base-Backbone interact. energy: 0.641
local terms energy: -115.735590
where:
bonds (distance) C4'-P energy: -37.256
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -28.825
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: 2.137
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: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -695.614983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.614983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.614983 (E_RNA)
where:
Base-Base interactions energy: -477.727
where: short stacking energy: -192.580
Base-Backbone interact. energy: -0.822
local terms energy: -217.065279
where:
bonds (distance) C4'-P energy: -43.824
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -30.501
tors. eta vs tors. theta energy: -64.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -648.549865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.549865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.549865 (E_RNA)
where:
Base-Base interactions energy: -457.641
where: short stacking energy: -177.687
Base-Backbone interact. energy: -0.237
local terms energy: -190.671831
where:
bonds (distance) C4'-P energy: -39.289
bonds (distance) P-C4' energy: -37.881
flat angles C4'-P-C4' energy: -39.082
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -49.646
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: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -613.577959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.577959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.577959 (E_RNA)
where:
Base-Base interactions energy: -412.407
where: short stacking energy: -179.819
Base-Backbone interact. energy: -1.370
local terms energy: -199.801604
where:
bonds (distance) C4'-P energy: -38.955
bonds (distance) P-C4' energy: -41.896
flat angles C4'-P-C4' energy: -41.913
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: -48.067
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: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -546.355583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.355583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.355583 (E_RNA)
where:
Base-Base interactions energy: -364.173
where: short stacking energy: -178.121
Base-Backbone interact. energy: -0.168
local terms energy: -182.014437
where:
bonds (distance) C4'-P energy: -32.355
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -42.687
flat angles P-C4'-P energy: -26.997
tors. eta vs tors. theta energy: -46.169
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -489.026083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.026083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.026083 (E_RNA)
where:
Base-Base interactions energy: -317.164
where: short stacking energy: -131.697
Base-Backbone interact. energy: -1.248
local terms energy: -170.614635
where:
bonds (distance) C4'-P energy: -35.029
bonds (distance) P-C4' energy: -37.682
flat angles C4'-P-C4' energy: -42.450
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -31.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -442.762773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.762773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.762773 (E_RNA)
where:
Base-Base interactions energy: -278.864
where: short stacking energy: -123.044
Base-Backbone interact. energy: -1.998
local terms energy: -161.901642
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -39.594
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -26.213
tors. eta vs tors. theta energy: -26.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -357.206161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.206161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.206161 (E_RNA)
where:
Base-Base interactions energy: -211.795
where: short stacking energy: -97.316
Base-Backbone interact. energy: -0.233
local terms energy: -145.178303
where:
bonds (distance) C4'-P energy: -34.179
bonds (distance) P-C4' energy: -38.028
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -297.675414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.675414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.675414 (E_RNA)
where:
Base-Base interactions energy: -145.265
where: short stacking energy: -88.876
Base-Backbone interact. energy: -0.245
local terms energy: -152.165600
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -42.866
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -184.901983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.901983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.901983 (E_RNA)
where:
Base-Base interactions energy: -53.997
where: short stacking energy: -46.657
Base-Backbone interact. energy: 1.947
local terms energy: -132.852216
where:
bonds (distance) C4'-P energy: -34.816
bonds (distance) P-C4' energy: -41.110
flat angles C4'-P-C4' energy: -36.178
flat angles P-C4'-P energy: -20.801
tors. eta vs tors. theta energy: 0.054
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: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -167.071961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.071961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.071961 (E_RNA)
where:
Base-Base interactions energy: -51.740
where: short stacking energy: -48.763
Base-Backbone interact. energy: -0.784
local terms energy: -114.548543
where:
bonds (distance) C4'-P energy: -35.852
bonds (distance) P-C4' energy: -27.378
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -0.839
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -690.219889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.219889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.219889 (E_RNA)
where:
Base-Base interactions energy: -472.375
where: short stacking energy: -185.635
Base-Backbone interact. energy: -1.794
local terms energy: -216.050519
where:
bonds (distance) C4'-P energy: -44.343
bonds (distance) P-C4' energy: -40.942
flat angles C4'-P-C4' energy: -44.102
flat angles P-C4'-P energy: -25.757
tors. eta vs tors. theta energy: -60.906
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: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -638.420329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.420329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.420329 (E_RNA)
where:
Base-Base interactions energy: -441.484
where: short stacking energy: -167.857
Base-Backbone interact. energy: -0.699
local terms energy: -196.237112
where:
bonds (distance) C4'-P energy: -35.782
bonds (distance) P-C4' energy: -40.798
flat angles C4'-P-C4' energy: -36.797
flat angles P-C4'-P energy: -32.903
tors. eta vs tors. theta energy: -49.957
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: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -618.358877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.358877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.358877 (E_RNA)
where:
Base-Base interactions energy: -424.553
where: short stacking energy: -165.588
Base-Backbone interact. energy: 1.483
local terms energy: -195.289465
where:
bonds (distance) C4'-P energy: -40.079
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -44.310
flat angles P-C4'-P energy: -31.221
tors. eta vs tors. theta energy: -43.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -553.730191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.730191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.730191 (E_RNA)
where:
Base-Base interactions energy: -360.344
where: short stacking energy: -163.868
Base-Backbone interact. energy: -0.635
local terms energy: -192.750727
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -43.109
flat angles C4'-P-C4' energy: -40.688
flat angles P-C4'-P energy: -29.463
tors. eta vs tors. theta energy: -47.861
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: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -476.403725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.403725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.403725 (E_RNA)
where:
Base-Base interactions energy: -316.203
where: short stacking energy: -126.913
Base-Backbone interact. energy: -0.683
local terms energy: -159.518068
where:
bonds (distance) C4'-P energy: -38.269
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -28.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -451.124779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.124779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.124779 (E_RNA)
where:
Base-Base interactions energy: -289.473
where: short stacking energy: -120.409
Base-Backbone interact. energy: 0.050
local terms energy: -161.702178
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -38.031
flat angles C4'-P-C4' energy: -37.974
flat angles P-C4'-P energy: -28.183
tors. eta vs tors. theta energy: -30.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -373.539678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.539678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.539678 (E_RNA)
where:
Base-Base interactions energy: -211.853
where: short stacking energy: -101.008
Base-Backbone interact. energy: -0.385
local terms energy: -161.301927
where:
bonds (distance) C4'-P energy: -39.156
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -36.772
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -26.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -267.175839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.175839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.175839 (E_RNA)
where:
Base-Base interactions energy: -127.664
where: short stacking energy: -78.283
Base-Backbone interact. energy: -0.531
local terms energy: -138.980595
where:
bonds (distance) C4'-P energy: -37.978
bonds (distance) P-C4' energy: -44.102
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -178.513742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.513742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.513742 (E_RNA)
where:
Base-Base interactions energy: -59.885
where: short stacking energy: -59.702
Base-Backbone interact. energy: -0.694
local terms energy: -117.934800
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -35.944
flat angles C4'-P-C4' energy: -27.543
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -7.612
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: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -172.725357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.725357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.725357 (E_RNA)
where:
Base-Base interactions energy: -53.922
where: short stacking energy: -34.232
Base-Backbone interact. energy: -1.148
local terms energy: -117.655813
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -21.051
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: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -700.034920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.034920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.034920 (E_RNA)
where:
Base-Base interactions energy: -485.378
where: short stacking energy: -209.648
Base-Backbone interact. energy: 0.358
local terms energy: -215.015098
where:
bonds (distance) C4'-P energy: -32.823
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -61.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -627.415403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.415403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.415403 (E_RNA)
where:
Base-Base interactions energy: -439.812
where: short stacking energy: -171.674
Base-Backbone interact. energy: -0.434
local terms energy: -187.169104
where:
bonds (distance) C4'-P energy: -37.603
bonds (distance) P-C4' energy: -36.540
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -30.700
tors. eta vs tors. theta energy: -37.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -622.385223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.385223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.385223 (E_RNA)
where:
Base-Base interactions energy: -427.869
where: short stacking energy: -177.948
Base-Backbone interact. energy: -1.489
local terms energy: -193.027235
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -44.669
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -53.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -536.138502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.138502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.138502 (E_RNA)
where:
Base-Base interactions energy: -339.755
where: short stacking energy: -153.706
Base-Backbone interact. energy: -0.455
local terms energy: -195.928993
where:
bonds (distance) C4'-P energy: -42.476
bonds (distance) P-C4' energy: -42.679
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -46.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -476.233628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.233628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.233628 (E_RNA)
where:
Base-Base interactions energy: -302.008
where: short stacking energy: -157.244
Base-Backbone interact. energy: -1.991
local terms energy: -172.234462
where:
bonds (distance) C4'-P energy: -36.660
bonds (distance) P-C4' energy: -30.666
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -43.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -460.411733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.411733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.411733 (E_RNA)
where:
Base-Base interactions energy: -292.456
where: short stacking energy: -124.173
Base-Backbone interact. energy: 0.091
local terms energy: -168.046172
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -38.653
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -38.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -382.978245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.978245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.978245 (E_RNA)
where:
Base-Base interactions energy: -232.390
where: short stacking energy: -131.214
Base-Backbone interact. energy: -0.468
local terms energy: -150.120485
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -36.222
flat angles C4'-P-C4' energy: -36.685
flat angles P-C4'-P energy: -19.637
tors. eta vs tors. theta energy: -31.054
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: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -276.058069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.058069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.058069 (E_RNA)
where:
Base-Base interactions energy: -145.030
where: short stacking energy: -78.574
Base-Backbone interact. energy: -0.479
local terms energy: -130.548917
where:
bonds (distance) C4'-P energy: -38.812
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -40.388
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -199.968469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.968469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.968469 (E_RNA)
where:
Base-Base interactions energy: -78.826
where: short stacking energy: -64.409
Base-Backbone interact. energy: -0.618
local terms energy: -120.524462
where:
bonds (distance) C4'-P energy: -39.644
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -9.177
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: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -166.400355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.400355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.400355 (E_RNA)
where:
Base-Base interactions energy: -58.812
where: short stacking energy: -48.885
Base-Backbone interact. energy: 0.348
local terms energy: -107.936147
where:
bonds (distance) C4'-P energy: -40.248
bonds (distance) P-C4' energy: -40.208
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: 6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -705.259974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.259974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.259974 (E_RNA)
where:
Base-Base interactions energy: -489.123
where: short stacking energy: -198.847
Base-Backbone interact. energy: -0.807
local terms energy: -215.330022
where:
bonds (distance) C4'-P energy: -39.482
bonds (distance) P-C4' energy: -38.345
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -32.849
tors. eta vs tors. theta energy: -57.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -650.168349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.168349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.168349 (E_RNA)
where:
Base-Base interactions energy: -434.849
where: short stacking energy: -173.318
Base-Backbone interact. energy: -0.877
local terms energy: -214.441678
where:
bonds (distance) C4'-P energy: -43.740
bonds (distance) P-C4' energy: -43.944
flat angles C4'-P-C4' energy: -40.821
flat angles P-C4'-P energy: -30.256
tors. eta vs tors. theta energy: -55.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -635.165552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.165552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.165552 (E_RNA)
where:
Base-Base interactions energy: -429.457
where: short stacking energy: -175.230
Base-Backbone interact. energy: -0.492
local terms energy: -205.216337
where:
bonds (distance) C4'-P energy: -40.439
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -40.798
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -50.585
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: 127
Temperature: 1.050000
Total energy: -500.462109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.462109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.462109 (E_RNA)
where:
Base-Base interactions energy: -315.454
where: short stacking energy: -141.755
Base-Backbone interact. energy: -1.094
local terms energy: -183.914131
where:
bonds (distance) C4'-P energy: -40.250
bonds (distance) P-C4' energy: -41.068
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -30.731
tors. eta vs tors. theta energy: -37.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -536.235012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.235012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.235012 (E_RNA)
where:
Base-Base interactions energy: -356.602
where: short stacking energy: -164.607
Base-Backbone interact. energy: 0.603
local terms energy: -180.236133
where:
bonds (distance) C4'-P energy: -34.651
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -38.710
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -46.795
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: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -454.195131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.195131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.195131 (E_RNA)
where:
Base-Base interactions energy: -285.078
where: short stacking energy: -127.964
Base-Backbone interact. energy: -1.824
local terms energy: -167.293049
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -36.783
flat angles C4'-P-C4' energy: -37.050
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -34.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -379.129926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.129926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.129926 (E_RNA)
where:
Base-Base interactions energy: -219.130
where: short stacking energy: -122.359
Base-Backbone interact. energy: -0.366
local terms energy: -159.634064
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -32.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -281.072403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.072403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.072403 (E_RNA)
where:
Base-Base interactions energy: -144.556
where: short stacking energy: -87.947
Base-Backbone interact. energy: -1.009
local terms energy: -135.507375
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -32.059
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -15.618
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: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -177.465789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.465789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.465789 (E_RNA)
where:
Base-Base interactions energy: -63.279
where: short stacking energy: -50.269
Base-Backbone interact. energy: 1.356
local terms energy: -115.542266
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: 9.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -180.075736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.075736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.075736 (E_RNA)
where:
Base-Base interactions energy: -63.640
where: short stacking energy: -52.924
Base-Backbone interact. energy: -0.435
local terms energy: -116.001535
where:
bonds (distance) C4'-P energy: -35.918
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: 2.926
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: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -700.128014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.128014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.128014 (E_RNA)
where:
Base-Base interactions energy: -482.918
where: short stacking energy: -201.423
Base-Backbone interact. energy: -2.366
local terms energy: -214.843873
where:
bonds (distance) C4'-P energy: -44.187
bonds (distance) P-C4' energy: -39.645
flat angles C4'-P-C4' energy: -39.040
flat angles P-C4'-P energy: -32.679
tors. eta vs tors. theta energy: -59.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -643.618175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.618175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.618175 (E_RNA)
where:
Base-Base interactions energy: -425.989
where: short stacking energy: -191.471
Base-Backbone interact. energy: -1.824
local terms energy: -215.805773
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -44.221
flat angles C4'-P-C4' energy: -46.262
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -58.044
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: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -634.788517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.788517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.788517 (E_RNA)
where:
Base-Base interactions energy: -429.355
where: short stacking energy: -176.504
Base-Backbone interact. energy: -1.124
local terms energy: -204.309593
where:
bonds (distance) C4'-P energy: -38.330
bonds (distance) P-C4' energy: -45.515
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -59.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -531.299283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.299283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.299283 (E_RNA)
where:
Base-Base interactions energy: -336.358
where: short stacking energy: -142.657
Base-Backbone interact. energy: -1.060
local terms energy: -193.880581
where:
bonds (distance) C4'-P energy: -44.735
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -44.811
flat angles P-C4'-P energy: -25.161
tors. eta vs tors. theta energy: -41.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -523.042353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.042353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.042353 (E_RNA)
where:
Base-Base interactions energy: -342.323
where: short stacking energy: -132.581
Base-Backbone interact. energy: -0.551
local terms energy: -180.168084
where:
bonds (distance) C4'-P energy: -35.727
bonds (distance) P-C4' energy: -40.025
flat angles C4'-P-C4' energy: -41.964
flat angles P-C4'-P energy: -22.512
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: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -425.575907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.575907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.575907 (E_RNA)
where:
Base-Base interactions energy: -259.157
where: short stacking energy: -127.074
Base-Backbone interact. energy: -1.146
local terms energy: -165.273295
where:
bonds (distance) C4'-P energy: -32.914
bonds (distance) P-C4' energy: -35.104
flat angles C4'-P-C4' energy: -36.949
flat angles P-C4'-P energy: -28.940
tors. eta vs tors. theta energy: -31.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -384.060215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.060215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.060215 (E_RNA)
where:
Base-Base interactions energy: -238.631
where: short stacking energy: -116.100
Base-Backbone interact. energy: -0.320
local terms energy: -145.109414
where:
bonds (distance) C4'-P energy: -34.208
bonds (distance) P-C4' energy: -38.957
flat angles C4'-P-C4' energy: -32.858
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -286.404362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.404362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.404362 (E_RNA)
where:
Base-Base interactions energy: -155.993
where: short stacking energy: -75.486
Base-Backbone interact. energy: -0.751
local terms energy: -129.660902
where:
bonds (distance) C4'-P energy: -40.982
bonds (distance) P-C4' energy: -30.981
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -209.459269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.459269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.459269 (E_RNA)
where:
Base-Base interactions energy: -60.161
where: short stacking energy: -55.826
Base-Backbone interact. energy: 1.097
local terms energy: -150.395886
where:
bonds (distance) C4'-P energy: -41.422
bonds (distance) P-C4' energy: -41.277
flat angles C4'-P-C4' energy: -36.422
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -8.366
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: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -187.435850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.435850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.435850 (E_RNA)
where:
Base-Base interactions energy: -62.318
where: short stacking energy: -46.566
Base-Backbone interact. energy: -1.591
local terms energy: -123.527217
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -37.932
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -30.739
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -707.794977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.794977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.794977 (E_RNA)
where:
Base-Base interactions energy: -489.358
where: short stacking energy: -193.512
Base-Backbone interact. energy: -1.618
local terms energy: -216.818963
where:
bonds (distance) C4'-P energy: -40.890
bonds (distance) P-C4' energy: -43.416
flat angles C4'-P-C4' energy: -45.470
flat angles P-C4'-P energy: -25.417
tors. eta vs tors. theta energy: -61.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -640.410082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.410082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.410082 (E_RNA)
where:
Base-Base interactions energy: -446.425
where: short stacking energy: -195.664
Base-Backbone interact. energy: -1.228
local terms energy: -192.757125
where:
bonds (distance) C4'-P energy: -32.278
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -45.562
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -58.440
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: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -651.269714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.269714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.269714 (E_RNA)
where:
Base-Base interactions energy: -448.201
where: short stacking energy: -183.306
Base-Backbone interact. energy: -0.696
local terms energy: -202.372936
where:
bonds (distance) C4'-P energy: -38.950
bonds (distance) P-C4' energy: -41.961
flat angles C4'-P-C4' energy: -41.628
flat angles P-C4'-P energy: -29.023
tors. eta vs tors. theta energy: -50.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -553.231563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.231563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.231563 (E_RNA)
where:
Base-Base interactions energy: -367.655
where: short stacking energy: -161.842
Base-Backbone interact. energy: -0.050
local terms energy: -185.526039
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -38.712
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -53.575
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: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -489.292083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.292083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.292083 (E_RNA)
where:
Base-Base interactions energy: -320.011
where: short stacking energy: -143.553
Base-Backbone interact. energy: -0.221
local terms energy: -169.060245
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -43.644
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -34.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -430.341685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.341685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.341685 (E_RNA)
where:
Base-Base interactions energy: -274.652
where: short stacking energy: -130.779
Base-Backbone interact. energy: -0.092
local terms energy: -155.597146
where:
bonds (distance) C4'-P energy: -29.726
bonds (distance) P-C4' energy: -34.102
flat angles C4'-P-C4' energy: -38.365
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -368.127673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.127673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.127673 (E_RNA)
where:
Base-Base interactions energy: -202.547
where: short stacking energy: -115.965
Base-Backbone interact. energy: -0.589
local terms energy: -164.992024
where:
bonds (distance) C4'-P energy: -41.848
bonds (distance) P-C4' energy: -44.423
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -25.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -302.058882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.058882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.058882 (E_RNA)
where:
Base-Base interactions energy: -149.084
where: short stacking energy: -97.514
Base-Backbone interact. energy: -0.190
local terms energy: -152.785666
where:
bonds (distance) C4'-P energy: -31.977
bonds (distance) P-C4' energy: -39.249
flat angles C4'-P-C4' energy: -40.675
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: -13.476
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: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -198.238683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.238683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.238683 (E_RNA)
where:
Base-Base interactions energy: -93.484
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.447
local terms energy: -104.307967
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: 2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -175.871076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.871076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.871076 (E_RNA)
where:
Base-Base interactions energy: -70.415
where: short stacking energy: -48.899
Base-Backbone interact. energy: 0.812
local terms energy: -106.268092
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -31.500
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -714.579329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.579329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.579329 (E_RNA)
where:
Base-Base interactions energy: -491.062
where: short stacking energy: -196.443
Base-Backbone interact. energy: -1.337
local terms energy: -222.180759
where:
bonds (distance) C4'-P energy: -40.484
bonds (distance) P-C4' energy: -48.710
flat angles C4'-P-C4' energy: -46.987
flat angles P-C4'-P energy: -27.269
tors. eta vs tors. theta energy: -58.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -648.337657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.337657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.337657 (E_RNA)
where:
Base-Base interactions energy: -450.574
where: short stacking energy: -185.780
Base-Backbone interact. energy: -0.710
local terms energy: -197.053149
where:
bonds (distance) C4'-P energy: -25.618
bonds (distance) P-C4' energy: -44.977
flat angles C4'-P-C4' energy: -40.940
flat angles P-C4'-P energy: -28.543
tors. eta vs tors. theta energy: -56.975
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: 130
Temperature: 1.000000
Total energy: -645.360883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.360883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.360883 (E_RNA)
where:
Base-Base interactions energy: -460.817
where: short stacking energy: -164.544
Base-Backbone interact. energy: 2.425
local terms energy: -186.969215
where:
bonds (distance) C4'-P energy: -35.348
bonds (distance) P-C4' energy: -38.818
flat angles C4'-P-C4' energy: -36.739
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: -48.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -544.584373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.584373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.584373 (E_RNA)
where:
Base-Base interactions energy: -356.279
where: short stacking energy: -166.385
Base-Backbone interact. energy: 0.638
local terms energy: -188.943675
where:
bonds (distance) C4'-P energy: -37.354
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -29.940
tors. eta vs tors. theta energy: -51.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -494.559090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.559090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.559090 (E_RNA)
where:
Base-Base interactions energy: -303.926
where: short stacking energy: -136.799
Base-Backbone interact. energy: -1.968
local terms energy: -188.664569
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -47.192
flat angles C4'-P-C4' energy: -42.162
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -38.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -395.697779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.697779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.697779 (E_RNA)
where:
Base-Base interactions energy: -242.649
where: short stacking energy: -105.340
Base-Backbone interact. energy: -0.279
local terms energy: -152.769198
where:
bonds (distance) C4'-P energy: -39.814
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -301.703015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.703015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.703015 (E_RNA)
where:
Base-Base interactions energy: -162.046
where: short stacking energy: -94.896
Base-Backbone interact. energy: -0.093
local terms energy: -139.563579
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -36.135
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -328.771296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.771296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.771296 (E_RNA)
where:
Base-Base interactions energy: -172.136
where: short stacking energy: -89.168
Base-Backbone interact. energy: 0.224
local terms energy: -156.859306
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: -25.771
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: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -178.835699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.835699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.835699 (E_RNA)
where:
Base-Base interactions energy: -65.709
where: short stacking energy: -53.595
Base-Backbone interact. energy: -0.932
local terms energy: -112.195071
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -28.091
flat angles C4'-P-C4' energy: -37.479
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: 2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -173.900186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.900186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.900186 (E_RNA)
where:
Base-Base interactions energy: -55.100
where: short stacking energy: -52.384
Base-Backbone interact. energy: -0.654
local terms energy: -118.146133
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -44.298
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -10.077
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: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -699.203980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.203980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.203980 (E_RNA)
where:
Base-Base interactions energy: -500.027
where: short stacking energy: -200.079
Base-Backbone interact. energy: 0.104
local terms energy: -199.281328
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -35.488
flat angles C4'-P-C4' energy: -42.044
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -55.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -657.181254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.181254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.181254 (E_RNA)
where:
Base-Base interactions energy: -454.562
where: short stacking energy: -175.021
Base-Backbone interact. energy: -0.843
local terms energy: -201.776465
where:
bonds (distance) C4'-P energy: -38.350
bonds (distance) P-C4' energy: -37.013
flat angles C4'-P-C4' energy: -43.882
flat angles P-C4'-P energy: -27.814
tors. eta vs tors. theta energy: -54.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -632.418563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.418563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.418563 (E_RNA)
where:
Base-Base interactions energy: -423.520
where: short stacking energy: -184.522
Base-Backbone interact. energy: -1.729
local terms energy: -207.169807
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -40.962
flat angles C4'-P-C4' energy: -44.350
flat angles P-C4'-P energy: -31.908
tors. eta vs tors. theta energy: -54.161
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: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -565.034306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.034306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.034306 (E_RNA)
where:
Base-Base interactions energy: -357.856
where: short stacking energy: -172.633
Base-Backbone interact. energy: -1.457
local terms energy: -205.721480
where:
bonds (distance) C4'-P energy: -38.580
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -47.527
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -52.921
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: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -491.845883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.845883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.845883 (E_RNA)
where:
Base-Base interactions energy: -314.150
where: short stacking energy: -144.782
Base-Backbone interact. energy: -0.662
local terms energy: -177.033928
where:
bonds (distance) C4'-P energy: -34.293
bonds (distance) P-C4' energy: -38.678
flat angles C4'-P-C4' energy: -41.750
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -38.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -413.692977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.692977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.692977 (E_RNA)
where:
Base-Base interactions energy: -260.825
where: short stacking energy: -131.990
Base-Backbone interact. energy: -0.320
local terms energy: -152.547769
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -34.652
flat angles C4'-P-C4' energy: -37.586
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -28.294
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: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -303.128490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.128490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.128490 (E_RNA)
where:
Base-Base interactions energy: -176.717
where: short stacking energy: -102.754
Base-Backbone interact. energy: 0.143
local terms energy: -126.554476
where:
bonds (distance) C4'-P energy: -33.915
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -15.135
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: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -332.330498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.330498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.330498 (E_RNA)
where:
Base-Base interactions energy: -197.966
where: short stacking energy: -88.117
Base-Backbone interact. energy: -0.681
local terms energy: -133.683054
where:
bonds (distance) C4'-P energy: -34.697
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -186.456347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.456347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.456347 (E_RNA)
where:
Base-Base interactions energy: -82.057
where: short stacking energy: -58.711
Base-Backbone interact. energy: -1.081
local terms energy: -103.317918
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -38.390
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -173.627989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.627989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.627989 (E_RNA)
where:
Base-Base interactions energy: -78.402
where: short stacking energy: -59.187
Base-Backbone interact. energy: -0.617
local terms energy: -94.608998
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -32.486
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: 0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -691.972367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.972367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.972367 (E_RNA)
where:
Base-Base interactions energy: -480.145
where: short stacking energy: -195.962
Base-Backbone interact. energy: -1.183
local terms energy: -210.644290
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -39.092
flat angles C4'-P-C4' energy: -45.737
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: -55.309
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: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -676.577659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.577659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.577659 (E_RNA)
where:
Base-Base interactions energy: -476.266
where: short stacking energy: -177.974
Base-Backbone interact. energy: 1.218
local terms energy: -201.529934
where:
bonds (distance) C4'-P energy: -43.218
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -34.447
flat angles P-C4'-P energy: -21.550
tors. eta vs tors. theta energy: -57.174
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: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -625.347212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.347212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.347212 (E_RNA)
where:
Base-Base interactions energy: -428.761
where: short stacking energy: -170.252
Base-Backbone interact. energy: 1.667
local terms energy: -198.253525
where:
bonds (distance) C4'-P energy: -31.899
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -45.202
flat angles P-C4'-P energy: -32.514
tors. eta vs tors. theta energy: -54.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -565.572284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.572284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.572284 (E_RNA)
where:
Base-Base interactions energy: -365.054
where: short stacking energy: -172.400
Base-Backbone interact. energy: -1.207
local terms energy: -199.310720
where:
bonds (distance) C4'-P energy: -40.300
bonds (distance) P-C4' energy: -37.522
flat angles C4'-P-C4' energy: -40.141
flat angles P-C4'-P energy: -26.621
tors. eta vs tors. theta energy: -54.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -483.733770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.733770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.733770 (E_RNA)
where:
Base-Base interactions energy: -302.621
where: short stacking energy: -143.236
Base-Backbone interact. energy: -0.643
local terms energy: -180.469623
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -26.143
tors. eta vs tors. theta energy: -41.244
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: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -422.347134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.347134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.347134 (E_RNA)
where:
Base-Base interactions energy: -264.033
where: short stacking energy: -120.140
Base-Backbone interact. energy: -0.883
local terms energy: -157.431408
where:
bonds (distance) C4'-P energy: -31.811
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -39.849
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -28.908
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: 132
Temperature: 1.200000
Total energy: -299.211104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.211104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.211104 (E_RNA)
where:
Base-Base interactions energy: -156.976
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.211
local terms energy: -142.023581
where:
bonds (distance) C4'-P energy: -36.883
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -33.929
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -11.905
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: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -311.074267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.074267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.074267 (E_RNA)
where:
Base-Base interactions energy: -163.741
where: short stacking energy: -79.527
Base-Backbone interact. energy: -0.178
local terms energy: -147.154869
where:
bonds (distance) C4'-P energy: -31.101
bonds (distance) P-C4' energy: -38.321
flat angles C4'-P-C4' energy: -35.547
flat angles P-C4'-P energy: -27.990
tors. eta vs tors. theta energy: -14.197
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: 132
Temperature: 1.300000
Total energy: -181.606658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.606658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.606658 (E_RNA)
where:
Base-Base interactions energy: -86.289
where: short stacking energy: -50.560
Base-Backbone interact. energy: -0.464
local terms energy: -94.853532
where:
bonds (distance) C4'-P energy: -37.258
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: 10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -167.456645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.456645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.456645 (E_RNA)
where:
Base-Base interactions energy: -60.687
where: short stacking energy: -52.003
Base-Backbone interact. energy: -0.979
local terms energy: -105.790664
where:
bonds (distance) C4'-P energy: -35.681
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: 11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -690.845810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.845810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.845810 (E_RNA)
where:
Base-Base interactions energy: -476.828
where: short stacking energy: -190.485
Base-Backbone interact. energy: -1.383
local terms energy: -212.634658
where:
bonds (distance) C4'-P energy: -39.808
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -44.913
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: -57.277
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: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -672.930392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.930392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.930392 (E_RNA)
where:
Base-Base interactions energy: -470.760
where: short stacking energy: -185.758
Base-Backbone interact. energy: -1.189
local terms energy: -200.981198
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -42.454
flat angles C4'-P-C4' energy: -43.000
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -56.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -621.128417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.128417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.128417 (E_RNA)
where:
Base-Base interactions energy: -429.819
where: short stacking energy: -170.376
Base-Backbone interact. energy: -0.550
local terms energy: -190.758992
where:
bonds (distance) C4'-P energy: -35.531
bonds (distance) P-C4' energy: -39.245
flat angles C4'-P-C4' energy: -36.403
flat angles P-C4'-P energy: -26.757
tors. eta vs tors. theta energy: -52.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -567.012237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.012237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.012237 (E_RNA)
where:
Base-Base interactions energy: -369.178
where: short stacking energy: -171.510
Base-Backbone interact. energy: -0.007
local terms energy: -197.827280
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -43.066
flat angles C4'-P-C4' energy: -39.998
flat angles P-C4'-P energy: -31.194
tors. eta vs tors. theta energy: -53.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -473.584097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.584097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.584097 (E_RNA)
where:
Base-Base interactions energy: -301.092
where: short stacking energy: -130.005
Base-Backbone interact. energy: -1.309
local terms energy: -171.183617
where:
bonds (distance) C4'-P energy: -39.667
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -38.223
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -31.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -431.613420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.613420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.613420 (E_RNA)
where:
Base-Base interactions energy: -262.198
where: short stacking energy: -125.497
Base-Backbone interact. energy: -0.291
local terms energy: -169.124393
where:
bonds (distance) C4'-P energy: -33.655
bonds (distance) P-C4' energy: -35.570
flat angles C4'-P-C4' energy: -46.522
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -32.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -318.756241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.756241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.756241 (E_RNA)
where:
Base-Base interactions energy: -183.079
where: short stacking energy: -95.662
Base-Backbone interact. energy: -0.551
local terms energy: -135.125575
where:
bonds (distance) C4'-P energy: -38.383
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -33.642
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -277.179105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.179105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.179105 (E_RNA)
where:
Base-Base interactions energy: -147.764
where: short stacking energy: -66.056
Base-Backbone interact. energy: -0.265
local terms energy: -129.150147
where:
bonds (distance) C4'-P energy: -38.976
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -181.278467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.278467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.278467 (E_RNA)
where:
Base-Base interactions energy: -58.202
where: short stacking energy: -33.273
Base-Backbone interact. energy: -0.520
local terms energy: -122.556217
where:
bonds (distance) C4'-P energy: -39.934
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -28.807
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: 7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -176.010384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.010384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.010384 (E_RNA)
where:
Base-Base interactions energy: -64.963
where: short stacking energy: -40.690
Base-Backbone interact. energy: -0.732
local terms energy: -110.315583
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -27.814
tors. eta vs tors. theta energy: 10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -691.048943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.048943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.048943 (E_RNA)
where:
Base-Base interactions energy: -474.053
where: short stacking energy: -189.866
Base-Backbone interact. energy: -0.656
local terms energy: -216.340665
where:
bonds (distance) C4'-P energy: -38.274
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -47.947
flat angles P-C4'-P energy: -29.169
tors. eta vs tors. theta energy: -57.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -661.553161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.553161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.553161 (E_RNA)
where:
Base-Base interactions energy: -467.094
where: short stacking energy: -180.598
Base-Backbone interact. energy: -0.827
local terms energy: -193.632037
where:
bonds (distance) C4'-P energy: -40.922
bonds (distance) P-C4' energy: -36.136
flat angles C4'-P-C4' energy: -42.263
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -52.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -600.612712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.612712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.612712 (E_RNA)
where:
Base-Base interactions energy: -415.200
where: short stacking energy: -179.803
Base-Backbone interact. energy: -1.121
local terms energy: -184.292267
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: -44.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -557.355215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.355215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.355215 (E_RNA)
where:
Base-Base interactions energy: -365.994
where: short stacking energy: -172.394
Base-Backbone interact. energy: -0.152
local terms energy: -191.209334
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -42.939
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -25.776
tors. eta vs tors. theta energy: -52.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -513.345567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.345567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.345567 (E_RNA)
where:
Base-Base interactions energy: -336.095
where: short stacking energy: -146.495
Base-Backbone interact. energy: -1.144
local terms energy: -176.106672
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -37.437
flat angles P-C4'-P energy: -27.349
tors. eta vs tors. theta energy: -35.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -439.144371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.144371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.144371 (E_RNA)
where:
Base-Base interactions energy: -269.093
where: short stacking energy: -143.794
Base-Backbone interact. energy: -0.321
local terms energy: -169.729984
where:
bonds (distance) C4'-P energy: -46.253
bonds (distance) P-C4' energy: -25.158
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -36.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -335.548893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.548893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.548893 (E_RNA)
where:
Base-Base interactions energy: -176.679
where: short stacking energy: -96.298
Base-Backbone interact. energy: -0.698
local terms energy: -158.171742
where:
bonds (distance) C4'-P energy: -35.252
bonds (distance) P-C4' energy: -36.840
flat angles C4'-P-C4' energy: -38.660
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -27.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -308.232091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.232091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.232091 (E_RNA)
where:
Base-Base interactions energy: -168.436
where: short stacking energy: -94.592
Base-Backbone interact. energy: -0.497
local terms energy: -139.298969
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -35.427
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -185.297422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.297422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.297422 (E_RNA)
where:
Base-Base interactions energy: -75.129
where: short stacking energy: -52.656
Base-Backbone interact. energy: -0.654
local terms energy: -109.513602
where:
bonds (distance) C4'-P energy: -33.225
bonds (distance) P-C4' energy: -38.855
flat angles C4'-P-C4' energy: -28.656
flat angles P-C4'-P energy: -2.578
tors. eta vs tors. theta energy: -6.200
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: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -213.649827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.649827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.649827 (E_RNA)
where:
Base-Base interactions energy: -102.127
where: short stacking energy: -57.594
Base-Backbone interact. energy: 2.083
local terms energy: -113.606607
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -697.236602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.236602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.236602 (E_RNA)
where:
Base-Base interactions energy: -481.246
where: short stacking energy: -200.350
Base-Backbone interact. energy: -2.365
local terms energy: -213.625351
where:
bonds (distance) C4'-P energy: -42.428
bonds (distance) P-C4' energy: -40.588
flat angles C4'-P-C4' energy: -43.496
flat angles P-C4'-P energy: -24.840
tors. eta vs tors. theta energy: -62.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -666.052197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.052197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.052197 (E_RNA)
where:
Base-Base interactions energy: -471.770
where: short stacking energy: -191.413
Base-Backbone interact. energy: -0.836
local terms energy: -193.446266
where:
bonds (distance) C4'-P energy: -33.344
bonds (distance) P-C4' energy: -36.678
flat angles C4'-P-C4' energy: -40.126
flat angles P-C4'-P energy: -27.482
tors. eta vs tors. theta energy: -55.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -608.721026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.721026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.721026 (E_RNA)
where:
Base-Base interactions energy: -410.945
where: short stacking energy: -175.278
Base-Backbone interact. energy: -0.323
local terms energy: -197.452456
where:
bonds (distance) C4'-P energy: -36.434
bonds (distance) P-C4' energy: -43.841
flat angles C4'-P-C4' energy: -45.975
flat angles P-C4'-P energy: -25.678
tors. eta vs tors. theta energy: -45.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -576.139957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.139957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.139957 (E_RNA)
where:
Base-Base interactions energy: -371.099
where: short stacking energy: -183.740
Base-Backbone interact. energy: 1.201
local terms energy: -206.242697
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -38.513
flat angles C4'-P-C4' energy: -38.583
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -61.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -491.011844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.011844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.011844 (E_RNA)
where:
Base-Base interactions energy: -304.255
where: short stacking energy: -140.297
Base-Backbone interact. energy: -1.204
local terms energy: -185.552337
where:
bonds (distance) C4'-P energy: -41.246
bonds (distance) P-C4' energy: -37.418
flat angles C4'-P-C4' energy: -42.103
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -41.093
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: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -426.287742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.287742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.287742 (E_RNA)
where:
Base-Base interactions energy: -250.825
where: short stacking energy: -113.446
Base-Backbone interact. energy: -0.928
local terms energy: -174.534779
where:
bonds (distance) C4'-P energy: -31.177
bonds (distance) P-C4' energy: -41.247
flat angles C4'-P-C4' energy: -41.333
flat angles P-C4'-P energy: -29.487
tors. eta vs tors. theta energy: -31.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -331.630121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.630121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.630121 (E_RNA)
where:
Base-Base interactions energy: -199.300
where: short stacking energy: -80.117
Base-Backbone interact. energy: 2.042
local terms energy: -134.372795
where:
bonds (distance) C4'-P energy: -36.775
bonds (distance) P-C4' energy: -34.717
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -268.630589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.630589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.630589 (E_RNA)
where:
Base-Base interactions energy: -127.905
where: short stacking energy: -69.529
Base-Backbone interact. energy: -0.857
local terms energy: -139.869417
where:
bonds (distance) C4'-P energy: -28.279
bonds (distance) P-C4' energy: -36.850
flat angles C4'-P-C4' energy: -34.160
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -178.174143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.174143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.174143 (E_RNA)
where:
Base-Base interactions energy: -47.083
where: short stacking energy: -41.267
Base-Backbone interact. energy: 4.327
local terms energy: -135.418342
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -34.821
flat angles C4'-P-C4' energy: -39.106
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: 2.235
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: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -239.479990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.479990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.479990 (E_RNA)
where:
Base-Base interactions energy: -116.075
where: short stacking energy: -68.933
Base-Backbone interact. energy: 0.229
local terms energy: -123.633766
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -38.969
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -1.415
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: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -697.231209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.231209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.231209 (E_RNA)
where:
Base-Base interactions energy: -477.075
where: short stacking energy: -186.207
Base-Backbone interact. energy: -1.758
local terms energy: -218.398429
where:
bonds (distance) C4'-P energy: -39.998
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -44.462
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: -61.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -663.405745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.405745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.405745 (E_RNA)
where:
Base-Base interactions energy: -472.062
where: short stacking energy: -180.314
Base-Backbone interact. energy: -1.079
local terms energy: -190.264833
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -19.733
tors. eta vs tors. theta energy: -58.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -573.063947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.063947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.063947 (E_RNA)
where:
Base-Base interactions energy: -374.748
where: short stacking energy: -177.433
Base-Backbone interact. energy: -0.769
local terms energy: -197.546672
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -39.004
flat angles C4'-P-C4' energy: -44.469
flat angles P-C4'-P energy: -23.594
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: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -614.761788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.761788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.761788 (E_RNA)
where:
Base-Base interactions energy: -421.690
where: short stacking energy: -176.823
Base-Backbone interact. energy: -0.633
local terms energy: -192.438484
where:
bonds (distance) C4'-P energy: -36.608
bonds (distance) P-C4' energy: -34.628
flat angles C4'-P-C4' energy: -41.841
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -56.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -463.447206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.447206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.447206 (E_RNA)
where:
Base-Base interactions energy: -277.252
where: short stacking energy: -132.436
Base-Backbone interact. energy: -2.697
local terms energy: -183.498264
where:
bonds (distance) C4'-P energy: -41.296
bonds (distance) P-C4' energy: -41.009
flat angles C4'-P-C4' energy: -41.391
flat angles P-C4'-P energy: -27.947
tors. eta vs tors. theta energy: -31.854
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: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -412.138263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.138263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.138263 (E_RNA)
where:
Base-Base interactions energy: -251.365
where: short stacking energy: -107.762
Base-Backbone interact. energy: -0.474
local terms energy: -160.299619
where:
bonds (distance) C4'-P energy: -35.122
bonds (distance) P-C4' energy: -32.639
flat angles C4'-P-C4' energy: -39.632
flat angles P-C4'-P energy: -30.637
tors. eta vs tors. theta energy: -22.270
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: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -329.917547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.917547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.917547 (E_RNA)
where:
Base-Base interactions energy: -183.018
where: short stacking energy: -110.958
Base-Backbone interact. energy: 0.094
local terms energy: -146.993383
where:
bonds (distance) C4'-P energy: -32.227
bonds (distance) P-C4' energy: -37.717
flat angles C4'-P-C4' energy: -39.151
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -15.880
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: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -338.242673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.242673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.242673 (E_RNA)
where:
Base-Base interactions energy: -189.274
where: short stacking energy: -92.334
Base-Backbone interact. energy: -0.888
local terms energy: -148.080383
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -36.595
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -292.161434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.161434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.161434 (E_RNA)
where:
Base-Base interactions energy: -163.405
where: short stacking energy: -72.112
Base-Backbone interact. energy: -0.555
local terms energy: -128.201139
where:
bonds (distance) C4'-P energy: -31.469
bonds (distance) P-C4' energy: -29.912
flat angles C4'-P-C4' energy: -39.225
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -187.559846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.559846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.559846 (E_RNA)
where:
Base-Base interactions energy: -66.673
where: short stacking energy: -60.165
Base-Backbone interact. energy: -1.072
local terms energy: -119.815432
where:
bonds (distance) C4'-P energy: -36.345
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -701.614685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.614685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.614685 (E_RNA)
where:
Base-Base interactions energy: -479.674
where: short stacking energy: -196.085
Base-Backbone interact. energy: -2.220
local terms energy: -219.721322
where:
bonds (distance) C4'-P energy: -41.299
bonds (distance) P-C4' energy: -45.525
flat angles C4'-P-C4' energy: -49.028
flat angles P-C4'-P energy: -23.211
tors. eta vs tors. theta energy: -60.658
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: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -654.193997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.193997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.193997 (E_RNA)
where:
Base-Base interactions energy: -451.949
where: short stacking energy: -172.139
Base-Backbone interact. energy: -0.887
local terms energy: -201.357742
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -41.048
flat angles C4'-P-C4' energy: -41.547
flat angles P-C4'-P energy: -29.266
tors. eta vs tors. theta energy: -53.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -587.923371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.923371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.923371 (E_RNA)
where:
Base-Base interactions energy: -384.830
where: short stacking energy: -180.724
Base-Backbone interact. energy: -0.217
local terms energy: -202.876355
where:
bonds (distance) C4'-P energy: -33.641
bonds (distance) P-C4' energy: -40.735
flat angles C4'-P-C4' energy: -44.227
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -57.532
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: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -601.519322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.519322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.519322 (E_RNA)
where:
Base-Base interactions energy: -404.876
where: short stacking energy: -165.849
Base-Backbone interact. energy: -2.317
local terms energy: -194.326192
where:
bonds (distance) C4'-P energy: -37.552
bonds (distance) P-C4' energy: -42.699
flat angles C4'-P-C4' energy: -41.620
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -51.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -457.164067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.164067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.164067 (E_RNA)
where:
Base-Base interactions energy: -290.993
where: short stacking energy: -128.439
Base-Backbone interact. energy: -0.173
local terms energy: -165.997247
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -41.304
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -22.672
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: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -408.058456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.058456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.058456 (E_RNA)
where:
Base-Base interactions energy: -254.900
where: short stacking energy: -119.078
Base-Backbone interact. energy: -0.448
local terms energy: -152.710344
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -42.711
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -327.825365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.825365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.825365 (E_RNA)
where:
Base-Base interactions energy: -179.904
where: short stacking energy: -99.779
Base-Backbone interact. energy: 0.160
local terms energy: -148.080453
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -36.483
flat angles C4'-P-C4' energy: -29.179
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -28.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -336.950026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.950026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.950026 (E_RNA)
where:
Base-Base interactions energy: -203.038
where: short stacking energy: -101.938
Base-Backbone interact. energy: -1.916
local terms energy: -131.995614
where:
bonds (distance) C4'-P energy: -28.972
bonds (distance) P-C4' energy: -41.545
flat angles C4'-P-C4' energy: -29.867
flat angles P-C4'-P energy: -19.725
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: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -301.350010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.350010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.350010 (E_RNA)
where:
Base-Base interactions energy: -170.153
where: short stacking energy: -74.539
Base-Backbone interact. energy: 1.366
local terms energy: -132.562359
where:
bonds (distance) C4'-P energy: -30.599
bonds (distance) P-C4' energy: -39.361
flat angles C4'-P-C4' energy: -27.990
flat angles P-C4'-P energy: -27.860
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -172.162786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.162786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.162786 (E_RNA)
where:
Base-Base interactions energy: -66.803
where: short stacking energy: -48.986
Base-Backbone interact. energy: 0.528
local terms energy: -105.888098
where:
bonds (distance) C4'-P energy: -36.479
bonds (distance) P-C4' energy: -31.700
flat angles C4'-P-C4' energy: -33.337
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: 8.815
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: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -695.602373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.602373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.602373 (E_RNA)
where:
Base-Base interactions energy: -489.215
where: short stacking energy: -198.604
Base-Backbone interact. energy: -0.800
local terms energy: -205.587288
where:
bonds (distance) C4'-P energy: -40.304
bonds (distance) P-C4' energy: -33.517
flat angles C4'-P-C4' energy: -42.976
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: -63.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -664.033572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.033572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.033572 (E_RNA)
where:
Base-Base interactions energy: -459.927
where: short stacking energy: -179.498
Base-Backbone interact. energy: -1.076
local terms energy: -203.030284
where:
bonds (distance) C4'-P energy: -42.757
bonds (distance) P-C4' energy: -39.439
flat angles C4'-P-C4' energy: -43.417
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -54.606
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: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -596.074440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.074440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.074440 (E_RNA)
where:
Base-Base interactions energy: -405.878
where: short stacking energy: -154.022
Base-Backbone interact. energy: -0.988
local terms energy: -189.207727
where:
bonds (distance) C4'-P energy: -37.566
bonds (distance) P-C4' energy: -37.711
flat angles C4'-P-C4' energy: -39.002
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: -44.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -566.230803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.230803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.230803 (E_RNA)
where:
Base-Base interactions energy: -375.067
where: short stacking energy: -173.254
Base-Backbone interact. energy: -0.098
local terms energy: -191.065556
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -28.341
tors. eta vs tors. theta energy: -53.430
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: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -446.305953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.305953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.305953 (E_RNA)
where:
Base-Base interactions energy: -271.020
where: short stacking energy: -129.394
Base-Backbone interact. energy: -0.188
local terms energy: -175.097704
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -34.899
flat angles C4'-P-C4' energy: -40.344
flat angles P-C4'-P energy: -25.984
tors. eta vs tors. theta energy: -32.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -459.497418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.497418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.497418 (E_RNA)
where:
Base-Base interactions energy: -278.532
where: short stacking energy: -117.902
Base-Backbone interact. energy: -2.007
local terms energy: -178.958220
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -41.455
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: -31.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -366.698275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.698275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.698275 (E_RNA)
where:
Base-Base interactions energy: -209.246
where: short stacking energy: -109.243
Base-Backbone interact. energy: 1.251
local terms energy: -158.702565
where:
bonds (distance) C4'-P energy: -39.345
bonds (distance) P-C4' energy: -33.458
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -22.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -294.312536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.312536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.312536 (E_RNA)
where:
Base-Base interactions energy: -179.800
where: short stacking energy: -84.961
Base-Backbone interact. energy: -0.252
local terms energy: -114.260898
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -35.096
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -286.365594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.365594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.365594 (E_RNA)
where:
Base-Base interactions energy: -153.435
where: short stacking energy: -76.068
Base-Backbone interact. energy: 0.478
local terms energy: -133.408572
where:
bonds (distance) C4'-P energy: -32.192
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -35.047
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -169.160561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.160561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.160561 (E_RNA)
where:
Base-Base interactions energy: -48.111
where: short stacking energy: -33.687
Base-Backbone interact. energy: -0.267
local terms energy: -120.782859
where:
bonds (distance) C4'-P energy: -46.503
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: 2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -695.929028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.929028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.929028 (E_RNA)
where:
Base-Base interactions energy: -483.871
where: short stacking energy: -210.299
Base-Backbone interact. energy: -1.855
local terms energy: -210.202527
where:
bonds (distance) C4'-P energy: -38.977
bonds (distance) P-C4' energy: -33.228
flat angles C4'-P-C4' energy: -43.463
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -64.901
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: 139
Temperature: 0.950000
Total energy: -662.596610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.596610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.596610 (E_RNA)
where:
Base-Base interactions energy: -462.814
where: short stacking energy: -186.401
Base-Backbone interact. energy: -1.093
local terms energy: -198.689389
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -35.905
flat angles P-C4'-P energy: -31.687
tors. eta vs tors. theta energy: -59.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -615.619061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.619061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.619061 (E_RNA)
where:
Base-Base interactions energy: -421.958
where: short stacking energy: -179.642
Base-Backbone interact. energy: -0.988
local terms energy: -192.673066
where:
bonds (distance) C4'-P energy: -34.381
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -43.987
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -53.402
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: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -585.739159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.739159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.739159 (E_RNA)
where:
Base-Base interactions energy: -380.227
where: short stacking energy: -180.182
Base-Backbone interact. energy: -0.017
local terms energy: -205.494378
where:
bonds (distance) C4'-P energy: -38.643
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -40.610
flat angles P-C4'-P energy: -29.771
tors. eta vs tors. theta energy: -58.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -443.205449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.205449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.205449 (E_RNA)
where:
Base-Base interactions energy: -280.269
where: short stacking energy: -130.883
Base-Backbone interact. energy: -0.572
local terms energy: -162.363978
where:
bonds (distance) C4'-P energy: -32.921
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -32.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -437.600499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.600499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.600499 (E_RNA)
where:
Base-Base interactions energy: -287.263
where: short stacking energy: -134.345
Base-Backbone interact. energy: -1.597
local terms energy: -148.740320
where:
bonds (distance) C4'-P energy: -31.810
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -35.215
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -27.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -349.144065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.144065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.144065 (E_RNA)
where:
Base-Base interactions energy: -209.405
where: short stacking energy: -96.113
Base-Backbone interact. energy: -0.806
local terms energy: -138.933275
where:
bonds (distance) C4'-P energy: -34.819
bonds (distance) P-C4' energy: -41.313
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -24.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -264.003616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.003616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.003616 (E_RNA)
where:
Base-Base interactions energy: -134.500
where: short stacking energy: -77.756
Base-Backbone interact. energy: -1.632
local terms energy: -127.871914
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -39.388
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -272.228291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.228291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.228291 (E_RNA)
where:
Base-Base interactions energy: -132.918
where: short stacking energy: -68.407
Base-Backbone interact. energy: -0.245
local terms energy: -139.064932
where:
bonds (distance) C4'-P energy: -42.865
bonds (distance) P-C4' energy: -37.412
flat angles C4'-P-C4' energy: -28.980
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -183.370415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.370415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.370415 (E_RNA)
where:
Base-Base interactions energy: -74.180
where: short stacking energy: -46.298
Base-Backbone interact. energy: -1.097
local terms energy: -108.094040
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -29.883
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: 1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -693.448845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.448845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.448845 (E_RNA)
where:
Base-Base interactions energy: -475.529
where: short stacking energy: -196.914
Base-Backbone interact. energy: -0.986
local terms energy: -216.933562
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -44.145
flat angles C4'-P-C4' energy: -37.560
flat angles P-C4'-P energy: -29.017
tors. eta vs tors. theta energy: -64.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -666.485394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.485394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.485394 (E_RNA)
where:
Base-Base interactions energy: -461.779
where: short stacking energy: -165.593
Base-Backbone interact. energy: -1.850
local terms energy: -202.856465
where:
bonds (distance) C4'-P energy: -34.823
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -42.496
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: -47.540
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: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -627.705094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.705094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.705094 (E_RNA)
where:
Base-Base interactions energy: -431.437
where: short stacking energy: -183.869
Base-Backbone interact. energy: 2.213
local terms energy: -198.480648
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -43.290
flat angles C4'-P-C4' energy: -36.994
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -55.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -583.875486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.875486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.875486 (E_RNA)
where:
Base-Base interactions energy: -374.544
where: short stacking energy: -178.679
Base-Backbone interact. energy: 0.551
local terms energy: -209.882488
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -33.230
flat angles C4'-P-C4' energy: -44.194
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -61.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -470.077483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.077483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.077483 (E_RNA)
where:
Base-Base interactions energy: -299.917
where: short stacking energy: -137.899
Base-Backbone interact. energy: -0.919
local terms energy: -169.241666
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -42.079
flat angles C4'-P-C4' energy: -35.944
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -38.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -455.131122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.131122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.131122 (E_RNA)
where:
Base-Base interactions energy: -296.441
where: short stacking energy: -125.576
Base-Backbone interact. energy: -1.274
local terms energy: -157.416007
where:
bonds (distance) C4'-P energy: -31.455
bonds (distance) P-C4' energy: -43.068
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -29.745
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: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -387.610002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.610002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.610002 (E_RNA)
where:
Base-Base interactions energy: -238.336
where: short stacking energy: -106.655
Base-Backbone interact. energy: -0.566
local terms energy: -148.707821
where:
bonds (distance) C4'-P energy: -34.990
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -33.075
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -24.096
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: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -282.724259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.724259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.724259 (E_RNA)
where:
Base-Base interactions energy: -146.860
where: short stacking energy: -75.082
Base-Backbone interact. energy: 0.973
local terms energy: -136.837489
where:
bonds (distance) C4'-P energy: -36.257
bonds (distance) P-C4' energy: -41.393
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -292.106891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.106891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.106891 (E_RNA)
where:
Base-Base interactions energy: -140.758
where: short stacking energy: -75.477
Base-Backbone interact. energy: -0.054
local terms energy: -151.295359
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -35.594
flat angles C4'-P-C4' energy: -38.140
flat angles P-C4'-P energy: -28.550
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -187.100214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.100214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.100214 (E_RNA)
where:
Base-Base interactions energy: -65.508
where: short stacking energy: -54.994
Base-Backbone interact. energy: -0.599
local terms energy: -120.993179
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -33.023
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: 2.382
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: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -686.599216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.599216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.599216 (E_RNA)
where:
Base-Base interactions energy: -466.087
where: short stacking energy: -189.655
Base-Backbone interact. energy: -0.887
local terms energy: -219.624444
where:
bonds (distance) C4'-P energy: -46.045
bonds (distance) P-C4' energy: -37.655
flat angles C4'-P-C4' energy: -45.003
flat angles P-C4'-P energy: -30.142
tors. eta vs tors. theta energy: -60.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -651.711393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.711393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.711393 (E_RNA)
where:
Base-Base interactions energy: -453.835
where: short stacking energy: -169.962
Base-Backbone interact. energy: -1.936
local terms energy: -195.940731
where:
bonds (distance) C4'-P energy: -38.033
bonds (distance) P-C4' energy: -37.489
flat angles C4'-P-C4' energy: -46.180
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -49.723
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: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -630.872018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.872018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.872018 (E_RNA)
where:
Base-Base interactions energy: -425.322
where: short stacking energy: -177.915
Base-Backbone interact. energy: -1.614
local terms energy: -203.936153
where:
bonds (distance) C4'-P energy: -31.093
bonds (distance) P-C4' energy: -42.497
flat angles C4'-P-C4' energy: -43.443
flat angles P-C4'-P energy: -28.552
tors. eta vs tors. theta energy: -58.350
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: 141
Temperature: 1.050000
Total energy: -587.445116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.445116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.445116 (E_RNA)
where:
Base-Base interactions energy: -372.679
where: short stacking energy: -170.115
Base-Backbone interact. energy: -0.042
local terms energy: -214.724431
where:
bonds (distance) C4'-P energy: -40.742
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -31.341
tors. eta vs tors. theta energy: -61.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -474.447734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.447734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.447734 (E_RNA)
where:
Base-Base interactions energy: -294.661
where: short stacking energy: -127.122
Base-Backbone interact. energy: 0.578
local terms energy: -180.364512
where:
bonds (distance) C4'-P energy: -38.892
bonds (distance) P-C4' energy: -41.877
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -28.415
tors. eta vs tors. theta energy: -36.630
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: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -460.869542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.869542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.869542 (E_RNA)
where:
Base-Base interactions energy: -297.378
where: short stacking energy: -121.402
Base-Backbone interact. energy: -1.022
local terms energy: -162.469391
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -37.340
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: -27.421
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: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -355.124202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.124202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.124202 (E_RNA)
where:
Base-Base interactions energy: -196.659
where: short stacking energy: -110.246
Base-Backbone interact. energy: -0.393
local terms energy: -158.071638
where:
bonds (distance) C4'-P energy: -37.186
bonds (distance) P-C4' energy: -39.640
flat angles C4'-P-C4' energy: -37.312
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -27.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -269.074859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.074859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.074859 (E_RNA)
where:
Base-Base interactions energy: -133.501
where: short stacking energy: -55.771
Base-Backbone interact. energy: -1.666
local terms energy: -133.908100
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -42.029
flat angles C4'-P-C4' energy: -36.199
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -257.189350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.189350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.189350 (E_RNA)
where:
Base-Base interactions energy: -135.542
where: short stacking energy: -69.659
Base-Backbone interact. energy: -0.571
local terms energy: -121.075723
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -30.357
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -29.459
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -178.754416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.754416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.754416 (E_RNA)
where:
Base-Base interactions energy: -61.052
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.445
local terms energy: -117.256658
where:
bonds (distance) C4'-P energy: -39.370
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -7.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -680.025170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.025170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.025170 (E_RNA)
where:
Base-Base interactions energy: -454.474
where: short stacking energy: -183.051
Base-Backbone interact. energy: -0.868
local terms energy: -224.682853
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -43.343
flat angles C4'-P-C4' energy: -49.297
flat angles P-C4'-P energy: -32.232
tors. eta vs tors. theta energy: -60.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -661.644616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.644616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.644616 (E_RNA)
where:
Base-Base interactions energy: -456.077
where: short stacking energy: -171.876
Base-Backbone interact. energy: -2.049
local terms energy: -203.518539
where:
bonds (distance) C4'-P energy: -41.043
bonds (distance) P-C4' energy: -40.723
flat angles C4'-P-C4' energy: -41.989
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: -54.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -626.819563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.819563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.819563 (E_RNA)
where:
Base-Base interactions energy: -420.878
where: short stacking energy: -169.410
Base-Backbone interact. energy: 0.966
local terms energy: -206.907635
where:
bonds (distance) C4'-P energy: -37.740
bonds (distance) P-C4' energy: -44.493
flat angles C4'-P-C4' energy: -39.652
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -52.981
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: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -567.702866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.702866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.702866 (E_RNA)
where:
Base-Base interactions energy: -384.403
where: short stacking energy: -168.718
Base-Backbone interact. energy: 1.080
local terms energy: -184.379938
where:
bonds (distance) C4'-P energy: -35.840
bonds (distance) P-C4' energy: -32.940
flat angles C4'-P-C4' energy: -36.758
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: -56.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -478.401767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.401767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.401767 (E_RNA)
where:
Base-Base interactions energy: -295.256
where: short stacking energy: -149.103
Base-Backbone interact. energy: -0.182
local terms energy: -182.963330
where:
bonds (distance) C4'-P energy: -40.397
bonds (distance) P-C4' energy: -44.467
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -38.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -453.129827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.129827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.129827 (E_RNA)
where:
Base-Base interactions energy: -276.986
where: short stacking energy: -130.711
Base-Backbone interact. energy: 0.169
local terms energy: -176.313481
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -42.124
flat angles C4'-P-C4' energy: -39.270
flat angles P-C4'-P energy: -23.074
tors. eta vs tors. theta energy: -32.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -358.675724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.675724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.675724 (E_RNA)
where:
Base-Base interactions energy: -212.805
where: short stacking energy: -109.880
Base-Backbone interact. energy: -0.573
local terms energy: -145.297305
where:
bonds (distance) C4'-P energy: -25.006
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -35.235
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -23.336
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: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -195.584746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.584746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.584746 (E_RNA)
where:
Base-Base interactions energy: -70.339
where: short stacking energy: -53.649
Base-Backbone interact. energy: -2.033
local terms energy: -123.211926
where:
bonds (distance) C4'-P energy: -36.579
bonds (distance) P-C4' energy: -40.968
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: 7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -266.925548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.925548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.925548 (E_RNA)
where:
Base-Base interactions energy: -134.655
where: short stacking energy: -78.657
Base-Backbone interact. energy: -0.030
local terms energy: -132.240159
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -28.475
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -10.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -176.774474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.774474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.774474 (E_RNA)
where:
Base-Base interactions energy: -68.564
where: short stacking energy: -51.555
Base-Backbone interact. energy: -0.691
local terms energy: -107.519304
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -690.788587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.788587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.788587 (E_RNA)
where:
Base-Base interactions energy: -468.678
where: short stacking energy: -186.447
Base-Backbone interact. energy: -0.477
local terms energy: -221.633479
where:
bonds (distance) C4'-P energy: -44.906
bonds (distance) P-C4' energy: -42.368
flat angles C4'-P-C4' energy: -47.942
flat angles P-C4'-P energy: -32.043
tors. eta vs tors. theta energy: -54.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -671.157927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.157927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.157927 (E_RNA)
where:
Base-Base interactions energy: -476.855
where: short stacking energy: -180.004
Base-Backbone interact. energy: -1.225
local terms energy: -193.078250
where:
bonds (distance) C4'-P energy: -37.195
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -41.073
flat angles P-C4'-P energy: -33.679
tors. eta vs tors. theta energy: -46.835
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: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -619.092676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.092676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.092676 (E_RNA)
where:
Base-Base interactions energy: -407.674
where: short stacking energy: -171.877
Base-Backbone interact. energy: -0.640
local terms energy: -210.779043
where:
bonds (distance) C4'-P energy: -45.094
bonds (distance) P-C4' energy: -44.434
flat angles C4'-P-C4' energy: -39.667
flat angles P-C4'-P energy: -26.516
tors. eta vs tors. theta energy: -55.068
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: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -571.512850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.512850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.512850 (E_RNA)
where:
Base-Base interactions energy: -371.402
where: short stacking energy: -178.401
Base-Backbone interact. energy: 0.238
local terms energy: -200.348667
where:
bonds (distance) C4'-P energy: -31.530
bonds (distance) P-C4' energy: -42.694
flat angles C4'-P-C4' energy: -44.337
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -55.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -487.636993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.636993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.636993 (E_RNA)
where:
Base-Base interactions energy: -298.350
where: short stacking energy: -142.284
Base-Backbone interact. energy: -0.728
local terms energy: -188.558871
where:
bonds (distance) C4'-P energy: -40.696
bonds (distance) P-C4' energy: -38.935
flat angles C4'-P-C4' energy: -43.162
flat angles P-C4'-P energy: -28.079
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: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -430.568638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.568638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.568638 (E_RNA)
where:
Base-Base interactions energy: -277.261
where: short stacking energy: -123.905
Base-Backbone interact. energy: -1.643
local terms energy: -151.664396
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -33.376
flat angles C4'-P-C4' energy: -33.784
flat angles P-C4'-P energy: -30.347
tors. eta vs tors. theta energy: -27.065
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: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -371.895274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.895274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.895274 (E_RNA)
where:
Base-Base interactions energy: -225.373
where: short stacking energy: -130.967
Base-Backbone interact. energy: 0.229
local terms energy: -146.750493
where:
bonds (distance) C4'-P energy: -27.141
bonds (distance) P-C4' energy: -34.700
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -25.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -272.151154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.151154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.151154 (E_RNA)
where:
Base-Base interactions energy: -132.722
where: short stacking energy: -76.806
Base-Backbone interact. energy: 0.270
local terms energy: -139.699268
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -43.907
flat angles C4'-P-C4' energy: -35.112
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -200.055877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.055877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.055877 (E_RNA)
where:
Base-Base interactions energy: -88.685
where: short stacking energy: -73.025
Base-Backbone interact. energy: -0.408
local terms energy: -110.962654
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -25.342
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -176.829508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.829508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.829508 (E_RNA)
where:
Base-Base interactions energy: -68.656
where: short stacking energy: -59.862
Base-Backbone interact. energy: -1.248
local terms energy: -106.925300
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: 4.210
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: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -689.632278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.632278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.632278 (E_RNA)
where:
Base-Base interactions energy: -488.412
where: short stacking energy: -175.808
Base-Backbone interact. energy: -1.235
local terms energy: -199.985664
where:
bonds (distance) C4'-P energy: -42.578
bonds (distance) P-C4' energy: -42.970
flat angles C4'-P-C4' energy: -40.672
flat angles P-C4'-P energy: -26.768
tors. eta vs tors. theta energy: -46.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -702.304492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.304492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.304492 (E_RNA)
where:
Base-Base interactions energy: -488.939
where: short stacking energy: -195.070
Base-Backbone interact. energy: -2.814
local terms energy: -210.551107
where:
bonds (distance) C4'-P energy: -39.678
bonds (distance) P-C4' energy: -44.993
flat angles C4'-P-C4' energy: -44.331
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -53.096
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: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -634.539854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.539854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.539854 (E_RNA)
where:
Base-Base interactions energy: -426.559
where: short stacking energy: -190.843
Base-Backbone interact. energy: -1.032
local terms energy: -206.948805
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -35.716
flat angles C4'-P-C4' energy: -45.596
flat angles P-C4'-P energy: -29.690
tors. eta vs tors. theta energy: -55.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -572.353038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.353038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.353038 (E_RNA)
where:
Base-Base interactions energy: -366.687
where: short stacking energy: -165.644
Base-Backbone interact. energy: -0.591
local terms energy: -205.074552
where:
bonds (distance) C4'-P energy: -38.684
bonds (distance) P-C4' energy: -42.070
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -59.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -487.986453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.986453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.986453 (E_RNA)
where:
Base-Base interactions energy: -319.901
where: short stacking energy: -134.796
Base-Backbone interact. energy: -0.954
local terms energy: -167.131065
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -43.241
flat angles C4'-P-C4' energy: -40.786
flat angles P-C4'-P energy: -24.006
tors. eta vs tors. theta energy: -35.889
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: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -469.798372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.798372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.798372 (E_RNA)
where:
Base-Base interactions energy: -305.674
where: short stacking energy: -137.391
Base-Backbone interact. energy: -1.342
local terms energy: -162.782043
where:
bonds (distance) C4'-P energy: -36.234
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -36.395
flat angles P-C4'-P energy: -22.285
tors. eta vs tors. theta energy: -41.619
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: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -407.939377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.939377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.939377 (E_RNA)
where:
Base-Base interactions energy: -252.499
where: short stacking energy: -115.267
Base-Backbone interact. energy: -0.977
local terms energy: -154.463782
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -32.440
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: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -250.531386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.531386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.531386 (E_RNA)
where:
Base-Base interactions energy: -115.158
where: short stacking energy: -73.146
Base-Backbone interact. energy: -0.367
local terms energy: -135.006631
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -42.749
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -27.214
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -217.317995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.317995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.317995 (E_RNA)
where:
Base-Base interactions energy: -99.862
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.376
local terms energy: -117.079840
where:
bonds (distance) C4'-P energy: -38.690
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -36.858
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -188.206086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.206086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.206086 (E_RNA)
where:
Base-Base interactions energy: -72.839
where: short stacking energy: -50.193
Base-Backbone interact. energy: -0.360
local terms energy: -115.006750
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: 5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -674.714112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.714112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.714112 (E_RNA)
where:
Base-Base interactions energy: -478.732
where: short stacking energy: -173.555
Base-Backbone interact. energy: -0.701
local terms energy: -195.281100
where:
bonds (distance) C4'-P energy: -42.937
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -42.192
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: -48.376
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: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -691.783571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.783571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.783571 (E_RNA)
where:
Base-Base interactions energy: -482.304
where: short stacking energy: -197.879
Base-Backbone interact. energy: -1.715
local terms energy: -207.764844
where:
bonds (distance) C4'-P energy: -37.493
bonds (distance) P-C4' energy: -44.634
flat angles C4'-P-C4' energy: -39.494
flat angles P-C4'-P energy: -30.295
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: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -618.130642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.130642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.130642 (E_RNA)
where:
Base-Base interactions energy: -421.672
where: short stacking energy: -167.239
Base-Backbone interact. energy: -1.116
local terms energy: -195.343143
where:
bonds (distance) C4'-P energy: -34.146
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -43.016
flat angles P-C4'-P energy: -29.616
tors. eta vs tors. theta energy: -52.055
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: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -585.721329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.721329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.721329 (E_RNA)
where:
Base-Base interactions energy: -386.040
where: short stacking energy: -182.220
Base-Backbone interact. energy: -0.065
local terms energy: -199.616467
where:
bonds (distance) C4'-P energy: -36.645
bonds (distance) P-C4' energy: -33.950
flat angles C4'-P-C4' energy: -42.378
flat angles P-C4'-P energy: -30.402
tors. eta vs tors. theta energy: -56.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -528.483417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.483417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.483417 (E_RNA)
where:
Base-Base interactions energy: -346.084
where: short stacking energy: -139.550
Base-Backbone interact. energy: -0.171
local terms energy: -182.229275
where:
bonds (distance) C4'-P energy: -37.521
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -37.963
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: -43.719
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: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -483.625679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.625679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.625679 (E_RNA)
where:
Base-Base interactions energy: -324.703
where: short stacking energy: -158.002
Base-Backbone interact. energy: -1.005
local terms energy: -157.917371
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -30.237
flat angles C4'-P-C4' energy: -37.450
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -48.316
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: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -431.648769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.648769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.648769 (E_RNA)
where:
Base-Base interactions energy: -264.095
where: short stacking energy: -128.158
Base-Backbone interact. energy: -1.324
local terms energy: -166.229786
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -40.126
flat angles C4'-P-C4' energy: -39.233
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -38.468
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: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -232.409674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.409674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.409674 (E_RNA)
where:
Base-Base interactions energy: -100.087
where: short stacking energy: -62.045
Base-Backbone interact. energy: -0.870
local terms energy: -131.452759
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -34.640
flat angles C4'-P-C4' energy: -47.900
flat angles P-C4'-P energy: -20.564
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: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -189.988508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.988508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.988508 (E_RNA)
where:
Base-Base interactions energy: -76.429
where: short stacking energy: -46.312
Base-Backbone interact. energy: -0.272
local terms energy: -113.287519
where:
bonds (distance) C4'-P energy: -34.613
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -33.942
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: 3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -161.082787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.082787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.082787 (E_RNA)
where:
Base-Base interactions energy: -46.061
where: short stacking energy: -33.807
Base-Backbone interact. energy: -1.313
local terms energy: -113.708750
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -33.325
flat angles C4'-P-C4' energy: -37.918
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: 6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -676.154525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.154525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.154525 (E_RNA)
where:
Base-Base interactions energy: -472.122
where: short stacking energy: -180.000
Base-Backbone interact. energy: 1.652
local terms energy: -205.684204
where:
bonds (distance) C4'-P energy: -41.852
bonds (distance) P-C4' energy: -44.119
flat angles C4'-P-C4' energy: -42.580
flat angles P-C4'-P energy: -27.852
tors. eta vs tors. theta energy: -49.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -691.057986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.057986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.057986 (E_RNA)
where:
Base-Base interactions energy: -478.267
where: short stacking energy: -200.775
Base-Backbone interact. energy: -0.838
local terms energy: -211.952382
where:
bonds (distance) C4'-P energy: -41.467
bonds (distance) P-C4' energy: -37.795
flat angles C4'-P-C4' energy: -44.199
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -60.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -616.320900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.320900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.320900 (E_RNA)
where:
Base-Base interactions energy: -419.406
where: short stacking energy: -183.058
Base-Backbone interact. energy: -1.154
local terms energy: -195.761271
where:
bonds (distance) C4'-P energy: -35.331
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -44.989
flat angles P-C4'-P energy: -31.185
tors. eta vs tors. theta energy: -51.344
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: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -568.670422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.670422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.670422 (E_RNA)
where:
Base-Base interactions energy: -367.916
where: short stacking energy: -176.467
Base-Backbone interact. energy: -0.266
local terms energy: -200.488386
where:
bonds (distance) C4'-P energy: -36.667
bonds (distance) P-C4' energy: -38.434
flat angles C4'-P-C4' energy: -36.139
flat angles P-C4'-P energy: -30.518
tors. eta vs tors. theta energy: -58.731
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: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -533.431424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.431424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.431424 (E_RNA)
where:
Base-Base interactions energy: -360.378
where: short stacking energy: -136.338
Base-Backbone interact. energy: -2.327
local terms energy: -170.726769
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -38.055
flat angles C4'-P-C4' energy: -42.511
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: -35.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -454.148043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.148043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.148043 (E_RNA)
where:
Base-Base interactions energy: -291.500
where: short stacking energy: -129.884
Base-Backbone interact. energy: -0.362
local terms energy: -162.286396
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -36.936
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -38.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -405.713682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.713682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.713682 (E_RNA)
where:
Base-Base interactions energy: -250.983
where: short stacking energy: -123.143
Base-Backbone interact. energy: -0.529
local terms energy: -154.202373
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -275.797295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.797295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.797295 (E_RNA)
where:
Base-Base interactions energy: -123.962
where: short stacking energy: -83.091
Base-Backbone interact. energy: 0.067
local terms energy: -151.902495
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -40.748
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -11.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -189.613932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.613932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.613932 (E_RNA)
where:
Base-Base interactions energy: -66.313
where: short stacking energy: -44.684
Base-Backbone interact. energy: -0.290
local terms energy: -123.010567
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -38.757
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -184.834970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.834970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.834970 (E_RNA)
where:
Base-Base interactions energy: -68.204
where: short stacking energy: -46.264
Base-Backbone interact. energy: -0.479
local terms energy: -116.151220
where:
bonds (distance) C4'-P energy: -35.219
bonds (distance) P-C4' energy: -35.033
flat angles C4'-P-C4' energy: -28.341
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: 4.713
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: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -662.568915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.568915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.568915 (E_RNA)
where:
Base-Base interactions energy: -458.061
where: short stacking energy: -178.927
Base-Backbone interact. energy: -0.779
local terms energy: -203.728022
where:
bonds (distance) C4'-P energy: -37.548
bonds (distance) P-C4' energy: -41.710
flat angles C4'-P-C4' energy: -44.844
flat angles P-C4'-P energy: -27.389
tors. eta vs tors. theta energy: -52.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -687.024696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.024696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.024696 (E_RNA)
where:
Base-Base interactions energy: -480.332
where: short stacking energy: -188.345
Base-Backbone interact. energy: -0.844
local terms energy: -205.848050
where:
bonds (distance) C4'-P energy: -36.671
bonds (distance) P-C4' energy: -43.284
flat angles C4'-P-C4' energy: -41.162
flat angles P-C4'-P energy: -30.947
tors. eta vs tors. theta energy: -53.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -607.474657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.474657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.474657 (E_RNA)
where:
Base-Base interactions energy: -407.454
where: short stacking energy: -158.118
Base-Backbone interact. energy: -1.137
local terms energy: -198.883886
where:
bonds (distance) C4'-P energy: -41.017
bonds (distance) P-C4' energy: -42.645
flat angles C4'-P-C4' energy: -45.965
flat angles P-C4'-P energy: -25.792
tors. eta vs tors. theta energy: -43.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -568.913781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.913781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.913781 (E_RNA)
where:
Base-Base interactions energy: -368.743
where: short stacking energy: -174.843
Base-Backbone interact. energy: -0.792
local terms energy: -199.378544
where:
bonds (distance) C4'-P energy: -36.288
bonds (distance) P-C4' energy: -43.087
flat angles C4'-P-C4' energy: -39.997
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -58.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -549.052565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.052565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.052565 (E_RNA)
where:
Base-Base interactions energy: -362.313
where: short stacking energy: -157.542
Base-Backbone interact. energy: -1.395
local terms energy: -185.345414
where:
bonds (distance) C4'-P energy: -37.528
bonds (distance) P-C4' energy: -32.281
flat angles C4'-P-C4' energy: -42.975
flat angles P-C4'-P energy: -24.982
tors. eta vs tors. theta energy: -47.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -472.479309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.479309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.479309 (E_RNA)
where:
Base-Base interactions energy: -292.217
where: short stacking energy: -126.746
Base-Backbone interact. energy: 0.113
local terms energy: -180.375833
where:
bonds (distance) C4'-P energy: -34.650
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -43.888
flat angles P-C4'-P energy: -26.242
tors. eta vs tors. theta energy: -36.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -355.022361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.022361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.022361 (E_RNA)
where:
Base-Base interactions energy: -204.752
where: short stacking energy: -111.598
Base-Backbone interact. energy: 0.332
local terms energy: -150.602517
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -36.869
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -34.517
tors. eta vs tors. theta energy: -28.057
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: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -253.355990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.355990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.355990 (E_RNA)
where:
Base-Base interactions energy: -121.253
where: short stacking energy: -86.917
Base-Backbone interact. energy: 1.732
local terms energy: -133.835800
where:
bonds (distance) C4'-P energy: -31.387
bonds (distance) P-C4' energy: -36.330
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -180.257864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.257864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.257864 (E_RNA)
where:
Base-Base interactions energy: -63.225
where: short stacking energy: -52.642
Base-Backbone interact. energy: -0.673
local terms energy: -116.359860
where:
bonds (distance) C4'-P energy: -36.334
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -173.255867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.255867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.255867 (E_RNA)
where:
Base-Base interactions energy: -56.109
where: short stacking energy: -41.085
Base-Backbone interact. energy: -0.463
local terms energy: -116.683914
where:
bonds (distance) C4'-P energy: -34.006
bonds (distance) P-C4' energy: -36.882
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: 1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -658.997461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.997461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.997461 (E_RNA)
where:
Base-Base interactions energy: -461.039
where: short stacking energy: -177.469
Base-Backbone interact. energy: -0.463
local terms energy: -197.495792
where:
bonds (distance) C4'-P energy: -37.280
bonds (distance) P-C4' energy: -44.900
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -28.924
tors. eta vs tors. theta energy: -46.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -669.725298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.725298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.725298 (E_RNA)
where:
Base-Base interactions energy: -466.172
where: short stacking energy: -193.256
Base-Backbone interact. energy: -0.384
local terms energy: -203.170088
where:
bonds (distance) C4'-P energy: -40.640
bonds (distance) P-C4' energy: -37.477
flat angles C4'-P-C4' energy: -41.244
flat angles P-C4'-P energy: -25.405
tors. eta vs tors. theta energy: -58.405
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: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -587.602501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.602501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.602501 (E_RNA)
where:
Base-Base interactions energy: -417.996
where: short stacking energy: -166.985
Base-Backbone interact. energy: 0.727
local terms energy: -170.333938
where:
bonds (distance) C4'-P energy: -34.602
bonds (distance) P-C4' energy: -31.441
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: -48.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -555.599784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.599784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.599784 (E_RNA)
where:
Base-Base interactions energy: -370.158
where: short stacking energy: -164.795
Base-Backbone interact. energy: -0.374
local terms energy: -185.067929
where:
bonds (distance) C4'-P energy: -43.582
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -37.120
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -52.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -549.394896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.394896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.394896 (E_RNA)
where:
Base-Base interactions energy: -376.011
where: short stacking energy: -155.146
Base-Backbone interact. energy: -1.030
local terms energy: -172.353759
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -27.929
flat angles C4'-P-C4' energy: -41.216
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -45.879
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: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -452.954762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.954762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.954762 (E_RNA)
where:
Base-Base interactions energy: -294.367
where: short stacking energy: -117.210
Base-Backbone interact. energy: -2.146
local terms energy: -156.441975
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -25.287
tors. eta vs tors. theta energy: -35.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -355.583066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.583066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.583066 (E_RNA)
where:
Base-Base interactions energy: -211.990
where: short stacking energy: -100.235
Base-Backbone interact. energy: -0.619
local terms energy: -142.973647
where:
bonds (distance) C4'-P energy: -37.045
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -28.290
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -237.223967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.223967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.223967 (E_RNA)
where:
Base-Base interactions energy: -107.862
where: short stacking energy: -69.131
Base-Backbone interact. energy: -0.228
local terms energy: -129.134066
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -36.348
flat angles C4'-P-C4' energy: -37.839
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -178.601852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.601852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.601852 (E_RNA)
where:
Base-Base interactions energy: -58.738
where: short stacking energy: -49.059
Base-Backbone interact. energy: -0.757
local terms energy: -119.106656
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -31.372
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -176.240191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.240191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.240191 (E_RNA)
where:
Base-Base interactions energy: -60.158
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.352
local terms energy: -115.729629
where:
bonds (distance) C4'-P energy: -31.900
bonds (distance) P-C4' energy: -34.481
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -1.470
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: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -682.580230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.580230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.580230 (E_RNA)
where:
Base-Base interactions energy: -501.369
where: short stacking energy: -191.285
Base-Backbone interact. energy: -0.758
local terms energy: -180.453961
where:
bonds (distance) C4'-P energy: -30.205
bonds (distance) P-C4' energy: -39.745
flat angles C4'-P-C4' energy: -35.184
flat angles P-C4'-P energy: -21.050
tors. eta vs tors. theta energy: -54.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -668.692888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.692888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.692888 (E_RNA)
where:
Base-Base interactions energy: -466.143
where: short stacking energy: -197.582
Base-Backbone interact. energy: -2.595
local terms energy: -199.955417
where:
bonds (distance) C4'-P energy: -41.189
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -43.043
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -57.473
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: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -613.634666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.634666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.634666 (E_RNA)
where:
Base-Base interactions energy: -413.140
where: short stacking energy: -166.155
Base-Backbone interact. energy: -0.692
local terms energy: -199.802868
where:
bonds (distance) C4'-P energy: -43.607
bonds (distance) P-C4' energy: -42.753
flat angles C4'-P-C4' energy: -34.830
flat angles P-C4'-P energy: -33.215
tors. eta vs tors. theta energy: -45.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -569.375313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.375313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.375313 (E_RNA)
where:
Base-Base interactions energy: -349.954
where: short stacking energy: -170.157
Base-Backbone interact. energy: -1.251
local terms energy: -218.170173
where:
bonds (distance) C4'-P energy: -42.226
bonds (distance) P-C4' energy: -46.093
flat angles C4'-P-C4' energy: -43.892
flat angles P-C4'-P energy: -23.938
tors. eta vs tors. theta energy: -62.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -542.141481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.141481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.141481 (E_RNA)
where:
Base-Base interactions energy: -359.565
where: short stacking energy: -156.883
Base-Backbone interact. energy: -1.139
local terms energy: -181.437588
where:
bonds (distance) C4'-P energy: -33.713
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -36.514
flat angles P-C4'-P energy: -29.358
tors. eta vs tors. theta energy: -48.407
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: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -479.388028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.388028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.388028 (E_RNA)
where:
Base-Base interactions energy: -313.636
where: short stacking energy: -143.106
Base-Backbone interact. energy: -2.044
local terms energy: -163.707533
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -39.346
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -38.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -378.164452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.164452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.164452 (E_RNA)
where:
Base-Base interactions energy: -226.352
where: short stacking energy: -111.058
Base-Backbone interact. energy: -0.680
local terms energy: -151.132045
where:
bonds (distance) C4'-P energy: -38.526
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -42.285
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -28.593
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: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -236.070025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.070025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.070025 (E_RNA)
where:
Base-Base interactions energy: -86.144
where: short stacking energy: -75.782
Base-Backbone interact. energy: -0.759
local terms energy: -149.166659
where:
bonds (distance) C4'-P energy: -38.886
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -179.963856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.963856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.963856 (E_RNA)
where:
Base-Base interactions energy: -61.163
where: short stacking energy: -42.439
Base-Backbone interact. energy: -0.503
local terms energy: -118.297377
where:
bonds (distance) C4'-P energy: -37.000
bonds (distance) P-C4' energy: -39.016
flat angles C4'-P-C4' energy: -36.740
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: 7.982
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: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -167.846801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.846801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.846801 (E_RNA)
where:
Base-Base interactions energy: -54.698
where: short stacking energy: -51.534
Base-Backbone interact. energy: 0.745
local terms energy: -113.893695
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -35.990
flat angles C4'-P-C4' energy: -31.366
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: 5.582
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: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -672.410931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.410931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.410931 (E_RNA)
where:
Base-Base interactions energy: -465.536
where: short stacking energy: -172.167
Base-Backbone interact. energy: -2.036
local terms energy: -204.839697
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -40.565
flat angles C4'-P-C4' energy: -45.924
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -52.574
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: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -675.812485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.812485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.812485 (E_RNA)
where:
Base-Base interactions energy: -474.573
where: short stacking energy: -193.575
Base-Backbone interact. energy: -0.744
local terms energy: -200.494711
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -32.389
flat angles C4'-P-C4' energy: -45.853
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -61.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -615.945268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.945268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.945268 (E_RNA)
where:
Base-Base interactions energy: -402.197
where: short stacking energy: -188.700
Base-Backbone interact. energy: -0.865
local terms energy: -212.883345
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -43.787
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -56.226
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: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -570.764473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.764473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.764473 (E_RNA)
where:
Base-Base interactions energy: -360.504
where: short stacking energy: -165.334
Base-Backbone interact. energy: -0.393
local terms energy: -209.867335
where:
bonds (distance) C4'-P energy: -42.177
bonds (distance) P-C4' energy: -42.438
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -54.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -559.538092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.538092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.538092 (E_RNA)
where:
Base-Base interactions energy: -363.335
where: short stacking energy: -165.380
Base-Backbone interact. energy: -0.913
local terms energy: -195.290576
where:
bonds (distance) C4'-P energy: -38.268
bonds (distance) P-C4' energy: -41.499
flat angles C4'-P-C4' energy: -44.754
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -55.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -462.280186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.280186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.280186 (E_RNA)
where:
Base-Base interactions energy: -302.766
where: short stacking energy: -129.133
Base-Backbone interact. energy: -1.761
local terms energy: -157.753361
where:
bonds (distance) C4'-P energy: -34.187
bonds (distance) P-C4' energy: -36.514
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -32.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -343.753448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.753448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.753448 (E_RNA)
where:
Base-Base interactions energy: -188.037
where: short stacking energy: -99.355
Base-Backbone interact. energy: -1.292
local terms energy: -154.424906
where:
bonds (distance) C4'-P energy: -34.932
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -37.131
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -22.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -205.103353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.103353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.103353 (E_RNA)
where:
Base-Base interactions energy: -86.354
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.095
local terms energy: -118.654243
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -197.047081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.047081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.047081 (E_RNA)
where:
Base-Base interactions energy: -84.868
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.561
local terms energy: -111.618680
where:
bonds (distance) C4'-P energy: -29.043
bonds (distance) P-C4' energy: -32.016
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -4.705
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: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -165.983375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.983375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.983375 (E_RNA)
where:
Base-Base interactions energy: -44.015
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.813
local terms energy: -121.156064
where:
bonds (distance) C4'-P energy: -35.822
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -662.298663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.298663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.298663 (E_RNA)
where:
Base-Base interactions energy: -463.769
where: short stacking energy: -176.957
Base-Backbone interact. energy: -1.179
local terms energy: -197.349866
where:
bonds (distance) C4'-P energy: -36.997
bonds (distance) P-C4' energy: -32.147
flat angles C4'-P-C4' energy: -43.761
flat angles P-C4'-P energy: -30.309
tors. eta vs tors. theta energy: -54.136
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: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -685.112118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.112118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.112118 (E_RNA)
where:
Base-Base interactions energy: -479.172
where: short stacking energy: -196.602
Base-Backbone interact. energy: -0.855
local terms energy: -205.085121
where:
bonds (distance) C4'-P energy: -35.425
bonds (distance) P-C4' energy: -39.400
flat angles C4'-P-C4' energy: -44.262
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -58.730
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: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -581.413213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.413213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.413213 (E_RNA)
where:
Base-Base interactions energy: -379.552
where: short stacking energy: -169.390
Base-Backbone interact. energy: -1.318
local terms energy: -200.543311
where:
bonds (distance) C4'-P energy: -37.897
bonds (distance) P-C4' energy: -40.507
flat angles C4'-P-C4' energy: -41.012
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -52.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -573.814503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.814503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.814503 (E_RNA)
where:
Base-Base interactions energy: -384.833
where: short stacking energy: -166.907
Base-Backbone interact. energy: -0.786
local terms energy: -188.194762
where:
bonds (distance) C4'-P energy: -32.850
bonds (distance) P-C4' energy: -39.664
flat angles C4'-P-C4' energy: -41.035
flat angles P-C4'-P energy: -27.449
tors. eta vs tors. theta energy: -47.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -541.050485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.050485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.050485 (E_RNA)
where:
Base-Base interactions energy: -347.365
where: short stacking energy: -151.217
Base-Backbone interact. energy: -2.307
local terms energy: -191.379330
where:
bonds (distance) C4'-P energy: -37.844
bonds (distance) P-C4' energy: -45.280
flat angles C4'-P-C4' energy: -41.383
flat angles P-C4'-P energy: -24.115
tors. eta vs tors. theta energy: -42.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -486.203842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.203842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.203842 (E_RNA)
where:
Base-Base interactions energy: -313.528
where: short stacking energy: -142.660
Base-Backbone interact. energy: -0.731
local terms energy: -171.944839
where:
bonds (distance) C4'-P energy: -37.953
bonds (distance) P-C4' energy: -36.652
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -41.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -304.265304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.265304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.265304 (E_RNA)
where:
Base-Base interactions energy: -148.569
where: short stacking energy: -81.525
Base-Backbone interact. energy: -0.940
local terms energy: -154.756702
where:
bonds (distance) C4'-P energy: -39.485
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -185.874719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.874719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.874719 (E_RNA)
where:
Base-Base interactions energy: -76.335
where: short stacking energy: -58.986
Base-Backbone interact. energy: -0.923
local terms energy: -108.617118
where:
bonds (distance) C4'-P energy: -32.327
bonds (distance) P-C4' energy: -38.517
flat angles C4'-P-C4' energy: -26.275
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: 9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -207.220216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.220216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.220216 (E_RNA)
where:
Base-Base interactions energy: -90.877
where: short stacking energy: -66.414
Base-Backbone interact. energy: -0.162
local terms energy: -116.181520
where:
bonds (distance) C4'-P energy: -30.520
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -186.192457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.192457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.192457 (E_RNA)
where:
Base-Base interactions energy: -80.567
where: short stacking energy: -61.226
Base-Backbone interact. energy: 1.526
local terms energy: -107.151429
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -34.039
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -10.593
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: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -683.131514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.131514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.131514 (E_RNA)
where:
Base-Base interactions energy: -476.324
where: short stacking energy: -200.716
Base-Backbone interact. energy: -0.829
local terms energy: -205.978301
where:
bonds (distance) C4'-P energy: -38.463
bonds (distance) P-C4' energy: -44.120
flat angles C4'-P-C4' energy: -42.095
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -57.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -674.169963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.169963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.169963 (E_RNA)
where:
Base-Base interactions energy: -485.055
where: short stacking energy: -184.127
Base-Backbone interact. energy: -0.995
local terms energy: -188.120723
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -35.065
flat angles C4'-P-C4' energy: -40.683
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -56.944
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: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -585.051365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.051365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.051365 (E_RNA)
where:
Base-Base interactions energy: -390.567
where: short stacking energy: -165.088
Base-Backbone interact. energy: -1.156
local terms energy: -193.328723
where:
bonds (distance) C4'-P energy: -32.740
bonds (distance) P-C4' energy: -35.090
flat angles C4'-P-C4' energy: -43.062
flat angles P-C4'-P energy: -33.630
tors. eta vs tors. theta energy: -48.806
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: 152
Temperature: 1.050000
Total energy: -575.248008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.248008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.248008 (E_RNA)
where:
Base-Base interactions energy: -366.621
where: short stacking energy: -177.039
Base-Backbone interact. energy: 2.880
local terms energy: -211.506423
where:
bonds (distance) C4'-P energy: -45.159
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -46.665
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -49.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -550.105765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.105765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.105765 (E_RNA)
where:
Base-Base interactions energy: -361.078
where: short stacking energy: -155.761
Base-Backbone interact. energy: -0.420
local terms energy: -188.608146
where:
bonds (distance) C4'-P energy: -38.332
bonds (distance) P-C4' energy: -37.908
flat angles C4'-P-C4' energy: -38.860
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: -47.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -463.333372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.333372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.333372 (E_RNA)
where:
Base-Base interactions energy: -281.403
where: short stacking energy: -118.502
Base-Backbone interact. energy: -0.517
local terms energy: -181.413810
where:
bonds (distance) C4'-P energy: -39.145
bonds (distance) P-C4' energy: -35.031
flat angles C4'-P-C4' energy: -44.297
flat angles P-C4'-P energy: -27.900
tors. eta vs tors. theta energy: -35.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -299.490647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.490647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.490647 (E_RNA)
where:
Base-Base interactions energy: -149.850
where: short stacking energy: -78.090
Base-Backbone interact. energy: -0.378
local terms energy: -149.262708
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -42.171
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -195.587241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.587241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.587241 (E_RNA)
where:
Base-Base interactions energy: -74.815
where: short stacking energy: -67.426
Base-Backbone interact. energy: -1.504
local terms energy: -119.268486
where:
bonds (distance) C4'-P energy: -31.109
bonds (distance) P-C4' energy: -34.587
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: 1.308
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: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -275.751324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.751324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.751324 (E_RNA)
where:
Base-Base interactions energy: -147.941
where: short stacking energy: -86.076
Base-Backbone interact. energy: -0.374
local terms energy: -127.436617
where:
bonds (distance) C4'-P energy: -29.285
bonds (distance) P-C4' energy: -38.433
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -163.383528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.383528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.383528 (E_RNA)
where:
Base-Base interactions energy: -52.839
where: short stacking energy: -45.271
Base-Backbone interact. energy: 3.196
local terms energy: -113.739883
where:
bonds (distance) C4'-P energy: -33.697
bonds (distance) P-C4' energy: -36.288
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: 4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -686.042990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.042990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.042990 (E_RNA)
where:
Base-Base interactions energy: -487.540
where: short stacking energy: -196.479
Base-Backbone interact. energy: -0.435
local terms energy: -198.067482
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -35.014
flat angles C4'-P-C4' energy: -45.563
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -59.077
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: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -665.602107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.602107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.602107 (E_RNA)
where:
Base-Base interactions energy: -473.337
where: short stacking energy: -165.889
Base-Backbone interact. energy: -1.226
local terms energy: -191.039140
where:
bonds (distance) C4'-P energy: -35.925
bonds (distance) P-C4' energy: -36.940
flat angles C4'-P-C4' energy: -43.674
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -55.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -577.562900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.562900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.562900 (E_RNA)
where:
Base-Base interactions energy: -378.900
where: short stacking energy: -177.179
Base-Backbone interact. energy: -0.895
local terms energy: -197.767817
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -42.567
flat angles C4'-P-C4' energy: -40.529
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -49.044
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: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -547.547278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.547278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.547278 (E_RNA)
where:
Base-Base interactions energy: -354.175
where: short stacking energy: -176.068
Base-Backbone interact. energy: -0.859
local terms energy: -192.513863
where:
bonds (distance) C4'-P energy: -33.452
bonds (distance) P-C4' energy: -38.493
flat angles C4'-P-C4' energy: -40.389
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -55.401
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: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -562.912977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.912977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.912977 (E_RNA)
where:
Base-Base interactions energy: -376.003
where: short stacking energy: -159.034
Base-Backbone interact. energy: -2.732
local terms energy: -184.178356
where:
bonds (distance) C4'-P energy: -29.634
bonds (distance) P-C4' energy: -35.390
flat angles C4'-P-C4' energy: -47.549
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -47.673
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: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -465.923378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.923378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.923378 (E_RNA)
where:
Base-Base interactions energy: -305.445
where: short stacking energy: -129.563
Base-Backbone interact. energy: -1.831
local terms energy: -158.646868
where:
bonds (distance) C4'-P energy: -34.972
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: -33.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -292.310182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.310182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.310182 (E_RNA)
where:
Base-Base interactions energy: -153.469
where: short stacking energy: -86.601
Base-Backbone interact. energy: -0.702
local terms energy: -138.139488
where:
bonds (distance) C4'-P energy: -38.298
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -14.543
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: 153
Temperature: 1.250000
Total energy: -251.896020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.896020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.896020 (E_RNA)
where:
Base-Base interactions energy: -118.642
where: short stacking energy: -75.877
Base-Backbone interact. energy: 2.970
local terms energy: -136.224395
where:
bonds (distance) C4'-P energy: -32.400
bonds (distance) P-C4' energy: -39.413
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -25.351
tors. eta vs tors. theta energy: -7.354
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: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -181.208500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.208500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.208500 (E_RNA)
where:
Base-Base interactions energy: -63.998
where: short stacking energy: -60.469
Base-Backbone interact. energy: -0.694
local terms energy: -116.516617
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -32.003
flat angles C4'-P-C4' energy: -36.222
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -175.798496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.798496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.798496 (E_RNA)
where:
Base-Base interactions energy: -53.618
where: short stacking energy: -46.171
Base-Backbone interact. energy: 1.246
local terms energy: -123.426306
where:
bonds (distance) C4'-P energy: -33.405
bonds (distance) P-C4' energy: -41.867
flat angles C4'-P-C4' energy: -28.766
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -674.241837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.241837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.241837 (E_RNA)
where:
Base-Base interactions energy: -472.935
where: short stacking energy: -179.202
Base-Backbone interact. energy: 0.425
local terms energy: -201.732419
where:
bonds (distance) C4'-P energy: -39.173
bonds (distance) P-C4' energy: -42.853
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -56.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -672.576015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.576015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.576015 (E_RNA)
where:
Base-Base interactions energy: -459.089
where: short stacking energy: -194.504
Base-Backbone interact. energy: 0.003
local terms energy: -213.490190
where:
bonds (distance) C4'-P energy: -41.325
bonds (distance) P-C4' energy: -38.085
flat angles C4'-P-C4' energy: -48.228
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -56.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -580.423517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.423517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.423517 (E_RNA)
where:
Base-Base interactions energy: -393.534
where: short stacking energy: -152.347
Base-Backbone interact. energy: -1.373
local terms energy: -185.516053
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -38.689
flat angles C4'-P-C4' energy: -36.163
flat angles P-C4'-P energy: -29.497
tors. eta vs tors. theta energy: -45.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -534.882146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.882146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.882146 (E_RNA)
where:
Base-Base interactions energy: -345.250
where: short stacking energy: -160.123
Base-Backbone interact. energy: -0.249
local terms energy: -189.382893
where:
bonds (distance) C4'-P energy: -40.227
bonds (distance) P-C4' energy: -38.392
flat angles C4'-P-C4' energy: -41.622
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -48.147
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: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -550.340158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.340158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.340158 (E_RNA)
where:
Base-Base interactions energy: -351.951
where: short stacking energy: -157.208
Base-Backbone interact. energy: -0.030
local terms energy: -198.359226
where:
bonds (distance) C4'-P energy: -36.853
bonds (distance) P-C4' energy: -38.232
flat angles C4'-P-C4' energy: -38.279
flat angles P-C4'-P energy: -28.493
tors. eta vs tors. theta energy: -56.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -477.303415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.303415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.303415 (E_RNA)
where:
Base-Base interactions energy: -296.879
where: short stacking energy: -128.341
Base-Backbone interact. energy: 2.358
local terms energy: -182.782879
where:
bonds (distance) C4'-P energy: -39.125
bonds (distance) P-C4' energy: -37.361
flat angles C4'-P-C4' energy: -38.137
flat angles P-C4'-P energy: -29.139
tors. eta vs tors. theta energy: -39.021
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: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -306.590280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.590280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.590280 (E_RNA)
where:
Base-Base interactions energy: -152.096
where: short stacking energy: -94.187
Base-Backbone interact. energy: -0.884
local terms energy: -153.611209
where:
bonds (distance) C4'-P energy: -36.086
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -39.577
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -220.397574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.397574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.397574 (E_RNA)
where:
Base-Base interactions energy: -93.607
where: short stacking energy: -52.689
Base-Backbone interact. energy: 1.457
local terms energy: -128.247763
where:
bonds (distance) C4'-P energy: -33.308
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -171.070888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.070888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.070888 (E_RNA)
where:
Base-Base interactions energy: -65.981
where: short stacking energy: -48.457
Base-Backbone interact. energy: -0.404
local terms energy: -104.685611
where:
bonds (distance) C4'-P energy: -29.849
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: 7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -180.302627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.302627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.302627 (E_RNA)
where:
Base-Base interactions energy: -74.812
where: short stacking energy: -50.215
Base-Backbone interact. energy: -0.477
local terms energy: -105.012672
where:
bonds (distance) C4'-P energy: -39.951
bonds (distance) P-C4' energy: -35.841
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: 5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -685.570867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.570867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.570867 (E_RNA)
where:
Base-Base interactions energy: -487.838
where: short stacking energy: -183.465
Base-Backbone interact. energy: -0.295
local terms energy: -197.437380
where:
bonds (distance) C4'-P energy: -41.334
bonds (distance) P-C4' energy: -42.431
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -54.656
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: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -666.031840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.031840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.031840 (E_RNA)
where:
Base-Base interactions energy: -445.523
where: short stacking energy: -176.673
Base-Backbone interact. energy: -1.682
local terms energy: -218.826661
where:
bonds (distance) C4'-P energy: -41.506
bonds (distance) P-C4' energy: -41.292
flat angles C4'-P-C4' energy: -49.007
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -54.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -601.244517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.244517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.244517 (E_RNA)
where:
Base-Base interactions energy: -407.621
where: short stacking energy: -168.684
Base-Backbone interact. energy: -0.699
local terms energy: -192.924176
where:
bonds (distance) C4'-P energy: -38.207
bonds (distance) P-C4' energy: -36.423
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -48.562
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: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -560.122894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.122894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.122894 (E_RNA)
where:
Base-Base interactions energy: -372.112
where: short stacking energy: -154.178
Base-Backbone interact. energy: -0.136
local terms energy: -187.875219
where:
bonds (distance) C4'-P energy: -41.411
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -41.873
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -46.988
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: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -562.916589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.916589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.916589 (E_RNA)
where:
Base-Base interactions energy: -360.390
where: short stacking energy: -171.556
Base-Backbone interact. energy: -2.670
local terms energy: -199.856431
where:
bonds (distance) C4'-P energy: -38.087
bonds (distance) P-C4' energy: -41.125
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -26.929
tors. eta vs tors. theta energy: -56.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -429.576006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.576006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.576006 (E_RNA)
where:
Base-Base interactions energy: -272.785
where: short stacking energy: -121.119
Base-Backbone interact. energy: -1.265
local terms energy: -155.526327
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -40.061
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -29.417
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: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -303.426349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.426349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.426349 (E_RNA)
where:
Base-Base interactions energy: -157.491
where: short stacking energy: -78.988
Base-Backbone interact. energy: -0.462
local terms energy: -145.474074
where:
bonds (distance) C4'-P energy: -39.934
bonds (distance) P-C4' energy: -37.902
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -256.589335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.589335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.589335 (E_RNA)
where:
Base-Base interactions energy: -127.201
where: short stacking energy: -75.095
Base-Backbone interact. energy: -1.221
local terms energy: -128.167278
where:
bonds (distance) C4'-P energy: -34.579
bonds (distance) P-C4' energy: -30.651
flat angles C4'-P-C4' energy: -34.657
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -199.532125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.532125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.532125 (E_RNA)
where:
Base-Base interactions energy: -73.860
where: short stacking energy: -67.753
Base-Backbone interact. energy: 0.220
local terms energy: -125.892395
where:
bonds (distance) C4'-P energy: -32.896
bonds (distance) P-C4' energy: -42.297
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: 2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -166.855778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.855778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.855778 (E_RNA)
where:
Base-Base interactions energy: -48.597
where: short stacking energy: -43.621
Base-Backbone interact. energy: -1.045
local terms energy: -117.213575
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -37.595
flat angles C4'-P-C4' energy: -31.229
flat angles P-C4'-P energy: -26.409
tors. eta vs tors. theta energy: 6.221
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: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -675.436689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.436689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.436689 (E_RNA)
where:
Base-Base interactions energy: -462.776
where: short stacking energy: -191.383
Base-Backbone interact. energy: -1.174
local terms energy: -211.487128
where:
bonds (distance) C4'-P energy: -40.304
bonds (distance) P-C4' energy: -43.560
flat angles C4'-P-C4' energy: -41.360
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -60.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -668.985334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.985334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.985334 (E_RNA)
where:
Base-Base interactions energy: -465.721
where: short stacking energy: -180.553
Base-Backbone interact. energy: -1.140
local terms energy: -202.123549
where:
bonds (distance) C4'-P energy: -39.712
bonds (distance) P-C4' energy: -42.918
flat angles C4'-P-C4' energy: -40.943
flat angles P-C4'-P energy: -26.141
tors. eta vs tors. theta energy: -52.410
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: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -614.383073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.383073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.383073 (E_RNA)
where:
Base-Base interactions energy: -416.820
where: short stacking energy: -176.852
Base-Backbone interact. energy: 0.015
local terms energy: -197.578856
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -41.903
flat angles P-C4'-P energy: -33.506
tors. eta vs tors. theta energy: -51.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -571.734500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.734500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.734500 (E_RNA)
where:
Base-Base interactions energy: -391.563
where: short stacking energy: -165.492
Base-Backbone interact. energy: -0.392
local terms energy: -179.779611
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -47.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -508.665352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.665352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.665352 (E_RNA)
where:
Base-Base interactions energy: -328.316
where: short stacking energy: -158.683
Base-Backbone interact. energy: -0.547
local terms energy: -179.802008
where:
bonds (distance) C4'-P energy: -29.856
bonds (distance) P-C4' energy: -34.947
flat angles C4'-P-C4' energy: -40.949
flat angles P-C4'-P energy: -24.547
tors. eta vs tors. theta energy: -49.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -452.158596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.158596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.158596 (E_RNA)
where:
Base-Base interactions energy: -292.681
where: short stacking energy: -124.739
Base-Backbone interact. energy: -0.589
local terms energy: -158.889158
where:
bonds (distance) C4'-P energy: -36.745
bonds (distance) P-C4' energy: -40.497
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -30.666
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: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -298.581677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.581677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.581677 (E_RNA)
where:
Base-Base interactions energy: -151.543
where: short stacking energy: -82.134
Base-Backbone interact. energy: -0.854
local terms energy: -146.184804
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -41.988
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -18.290
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -278.594546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.594546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.594546 (E_RNA)
where:
Base-Base interactions energy: -128.822
where: short stacking energy: -82.693
Base-Backbone interact. energy: -0.496
local terms energy: -149.277076
where:
bonds (distance) C4'-P energy: -42.482
bonds (distance) P-C4' energy: -42.265
flat angles C4'-P-C4' energy: -37.353
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -11.259
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: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -201.474833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.474833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.474833 (E_RNA)
where:
Base-Base interactions energy: -79.001
where: short stacking energy: -69.266
Base-Backbone interact. energy: -1.199
local terms energy: -121.274879
where:
bonds (distance) C4'-P energy: -36.235
bonds (distance) P-C4' energy: -34.511
flat angles C4'-P-C4' energy: -25.221
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -182.171840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.171840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.171840 (E_RNA)
where:
Base-Base interactions energy: -74.561
where: short stacking energy: -35.144
Base-Backbone interact. energy: -4.143
local terms energy: -103.467760
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -39.563
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: 17.431
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: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -682.812225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.812225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.812225 (E_RNA)
where:
Base-Base interactions energy: -464.741
where: short stacking energy: -184.804
Base-Backbone interact. energy: -0.989
local terms energy: -217.081782
where:
bonds (distance) C4'-P energy: -42.604
bonds (distance) P-C4' energy: -39.108
flat angles C4'-P-C4' energy: -46.388
flat angles P-C4'-P energy: -32.184
tors. eta vs tors. theta energy: -56.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -662.472815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.472815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.472815 (E_RNA)
where:
Base-Base interactions energy: -467.362
where: short stacking energy: -185.779
Base-Backbone interact. energy: -0.503
local terms energy: -194.607700
where:
bonds (distance) C4'-P energy: -33.156
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -52.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -590.008641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.008641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.008641 (E_RNA)
where:
Base-Base interactions energy: -397.749
where: short stacking energy: -169.922
Base-Backbone interact. energy: 0.167
local terms energy: -192.427040
where:
bonds (distance) C4'-P energy: -39.652
bonds (distance) P-C4' energy: -35.928
flat angles C4'-P-C4' energy: -37.167
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -54.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -583.128821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.128821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.128821 (E_RNA)
where:
Base-Base interactions energy: -392.185
where: short stacking energy: -176.325
Base-Backbone interact. energy: -0.043
local terms energy: -190.900698
where:
bonds (distance) C4'-P energy: -35.307
bonds (distance) P-C4' energy: -39.093
flat angles C4'-P-C4' energy: -35.988
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -54.292
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: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -509.000735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.000735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.000735 (E_RNA)
where:
Base-Base interactions energy: -330.531
where: short stacking energy: -147.133
Base-Backbone interact. energy: -1.032
local terms energy: -177.438095
where:
bonds (distance) C4'-P energy: -39.216
bonds (distance) P-C4' energy: -30.783
flat angles C4'-P-C4' energy: -31.914
flat angles P-C4'-P energy: -30.172
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: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -433.139161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.139161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.139161 (E_RNA)
where:
Base-Base interactions energy: -273.637
where: short stacking energy: -121.635
Base-Backbone interact. energy: -0.418
local terms energy: -159.083499
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -41.819
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -26.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -331.429408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.429408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.429408 (E_RNA)
where:
Base-Base interactions energy: -167.399
where: short stacking energy: -85.392
Base-Backbone interact. energy: -0.938
local terms energy: -163.092073
where:
bonds (distance) C4'-P energy: -37.693
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -36.618
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -25.027
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: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -193.686035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.686035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.686035 (E_RNA)
where:
Base-Base interactions energy: -70.182
where: short stacking energy: -52.040
Base-Backbone interact. energy: 0.960
local terms energy: -124.463931
where:
bonds (distance) C4'-P energy: -44.398
bonds (distance) P-C4' energy: -39.591
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -19.808
tors. eta vs tors. theta energy: 10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -246.341486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.341486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.341486 (E_RNA)
where:
Base-Base interactions energy: -133.857
where: short stacking energy: -79.970
Base-Backbone interact. energy: -0.492
local terms energy: -111.992946
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -37.818
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -6.831
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: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -171.461166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.461166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.461166 (E_RNA)
where:
Base-Base interactions energy: -60.208
where: short stacking energy: -49.737
Base-Backbone interact. energy: 0.158
local terms energy: -111.411839
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -40.437
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: 7.907
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: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -714.323444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.323444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.323444 (E_RNA)
where:
Base-Base interactions energy: -493.747
where: short stacking energy: -187.834
Base-Backbone interact. energy: -1.348
local terms energy: -219.227964
where:
bonds (distance) C4'-P energy: -40.866
bonds (distance) P-C4' energy: -42.926
flat angles C4'-P-C4' energy: -45.701
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: -56.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -667.661595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.661595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.661595 (E_RNA)
where:
Base-Base interactions energy: -485.985
where: short stacking energy: -194.374
Base-Backbone interact. energy: -1.099
local terms energy: -180.577961
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -35.884
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -24.260
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: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -584.420613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.420613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.420613 (E_RNA)
where:
Base-Base interactions energy: -390.856
where: short stacking energy: -166.512
Base-Backbone interact. energy: -1.169
local terms energy: -192.394931
where:
bonds (distance) C4'-P energy: -33.936
bonds (distance) P-C4' energy: -38.766
flat angles C4'-P-C4' energy: -39.841
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -50.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -595.413079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.413079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.413079 (E_RNA)
where:
Base-Base interactions energy: -386.792
where: short stacking energy: -163.104
Base-Backbone interact. energy: -0.715
local terms energy: -207.906674
where:
bonds (distance) C4'-P energy: -39.569
bonds (distance) P-C4' energy: -40.196
flat angles C4'-P-C4' energy: -47.346
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -54.731
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: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -515.589017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.589017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.589017 (E_RNA)
where:
Base-Base interactions energy: -325.697
where: short stacking energy: -146.226
Base-Backbone interact. energy: -2.767
local terms energy: -187.124527
where:
bonds (distance) C4'-P energy: -40.358
bonds (distance) P-C4' energy: -41.464
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -24.417
tors. eta vs tors. theta energy: -45.355
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: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -440.887116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.887116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.887116 (E_RNA)
where:
Base-Base interactions energy: -279.011
where: short stacking energy: -123.184
Base-Backbone interact. energy: -0.908
local terms energy: -160.968388
where:
bonds (distance) C4'-P energy: -32.234
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -34.054
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -369.033214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.033214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.033214 (E_RNA)
where:
Base-Base interactions energy: -228.398
where: short stacking energy: -122.625
Base-Backbone interact. energy: -0.460
local terms energy: -140.175406
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -28.754
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -27.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -224.043533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.043533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.043533 (E_RNA)
where:
Base-Base interactions energy: -92.104
where: short stacking energy: -63.155
Base-Backbone interact. energy: -0.162
local terms energy: -131.778010
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -36.941
flat angles C4'-P-C4' energy: -36.131
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -6.123
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: 158
Temperature: 1.300000
Total energy: -235.437843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.437843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.437843 (E_RNA)
where:
Base-Base interactions energy: -123.390
where: short stacking energy: -67.659
Base-Backbone interact. energy: -0.567
local terms energy: -111.480053
where:
bonds (distance) C4'-P energy: -25.547
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -30.089
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -7.566
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: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -176.081563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.081563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.081563 (E_RNA)
where:
Base-Base interactions energy: -63.466
where: short stacking energy: -60.143
Base-Backbone interact. energy: -0.895
local terms energy: -111.720572
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -694.253039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.253039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.253039 (E_RNA)
where:
Base-Base interactions energy: -477.236
where: short stacking energy: -195.564
Base-Backbone interact. energy: -1.578
local terms energy: -215.439074
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -47.457
flat angles C4'-P-C4' energy: -42.949
flat angles P-C4'-P energy: -29.311
tors. eta vs tors. theta energy: -55.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -668.246794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.246794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.246794 (E_RNA)
where:
Base-Base interactions energy: -470.893
where: short stacking energy: -198.757
Base-Backbone interact. energy: -2.114
local terms energy: -195.238875
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -37.258
flat angles C4'-P-C4' energy: -45.022
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: -55.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -587.287963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.287963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.287963 (E_RNA)
where:
Base-Base interactions energy: -387.884
where: short stacking energy: -175.774
Base-Backbone interact. energy: -0.340
local terms energy: -199.063470
where:
bonds (distance) C4'-P energy: -40.165
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -36.700
flat angles P-C4'-P energy: -32.250
tors. eta vs tors. theta energy: -54.956
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: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -579.225521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.225521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.225521 (E_RNA)
where:
Base-Base interactions energy: -390.056
where: short stacking energy: -151.571
Base-Backbone interact. energy: -0.279
local terms energy: -188.890596
where:
bonds (distance) C4'-P energy: -36.239
bonds (distance) P-C4' energy: -38.105
flat angles C4'-P-C4' energy: -39.721
flat angles P-C4'-P energy: -25.468
tors. eta vs tors. theta energy: -49.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -495.126570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.126570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.126570 (E_RNA)
where:
Base-Base interactions energy: -334.468
where: short stacking energy: -155.240
Base-Backbone interact. energy: 0.926
local terms energy: -161.583983
where:
bonds (distance) C4'-P energy: -31.752
bonds (distance) P-C4' energy: -34.056
flat angles C4'-P-C4' energy: -38.644
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -42.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -368.839994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.839994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.839994 (E_RNA)
where:
Base-Base interactions energy: -208.564
where: short stacking energy: -113.415
Base-Backbone interact. energy: 0.557
local terms energy: -160.832602
where:
bonds (distance) C4'-P energy: -38.309
bonds (distance) P-C4' energy: -38.224
flat angles C4'-P-C4' energy: -37.775
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -29.849
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: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -425.266456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.266456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.266456 (E_RNA)
where:
Base-Base interactions energy: -272.420
where: short stacking energy: -106.863
Base-Backbone interact. energy: 2.931
local terms energy: -155.777020
where:
bonds (distance) C4'-P energy: -34.979
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -38.167
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -23.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -263.252415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.252415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.252415 (E_RNA)
where:
Base-Base interactions energy: -135.410
where: short stacking energy: -76.237
Base-Backbone interact. energy: -0.431
local terms energy: -127.410454
where:
bonds (distance) C4'-P energy: -31.575
bonds (distance) P-C4' energy: -33.038
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -205.310492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.310492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.310492 (E_RNA)
where:
Base-Base interactions energy: -94.625
where: short stacking energy: -56.747
Base-Backbone interact. energy: -1.903
local terms energy: -108.782954
where:
bonds (distance) C4'-P energy: -30.339
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -30.704
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -172.134875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.134875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.134875 (E_RNA)
where:
Base-Base interactions energy: -54.615
where: short stacking energy: -52.397
Base-Backbone interact. energy: 0.910
local terms energy: -118.429877
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -31.173
flat angles C4'-P-C4' energy: -33.290
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: 2.341
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: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -695.698558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.698558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.698558 (E_RNA)
where:
Base-Base interactions energy: -473.058
where: short stacking energy: -195.031
Base-Backbone interact. energy: -0.533
local terms energy: -222.107345
where:
bonds (distance) C4'-P energy: -39.254
bonds (distance) P-C4' energy: -49.023
flat angles C4'-P-C4' energy: -44.448
flat angles P-C4'-P energy: -29.760
tors. eta vs tors. theta energy: -59.621
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: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -667.491232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.491232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.491232 (E_RNA)
where:
Base-Base interactions energy: -473.993
where: short stacking energy: -182.864
Base-Backbone interact. energy: 0.154
local terms energy: -193.651972
where:
bonds (distance) C4'-P energy: -34.346
bonds (distance) P-C4' energy: -45.895
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -53.215
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: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -601.339943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.339943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.339943 (E_RNA)
where:
Base-Base interactions energy: -406.480
where: short stacking energy: -183.577
Base-Backbone interact. energy: 0.773
local terms energy: -195.632858
where:
bonds (distance) C4'-P energy: -38.235
bonds (distance) P-C4' energy: -35.951
flat angles C4'-P-C4' energy: -37.968
flat angles P-C4'-P energy: -26.040
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -582.959028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.959028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.959028 (E_RNA)
where:
Base-Base interactions energy: -402.426
where: short stacking energy: -182.219
Base-Backbone interact. energy: -0.979
local terms energy: -179.554232
where:
bonds (distance) C4'-P energy: -30.425
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -39.602
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -55.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -475.633883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.633883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.633883 (E_RNA)
where:
Base-Base interactions energy: -293.539
where: short stacking energy: -136.396
Base-Backbone interact. energy: -0.818
local terms energy: -181.276355
where:
bonds (distance) C4'-P energy: -39.367
bonds (distance) P-C4' energy: -37.763
flat angles C4'-P-C4' energy: -36.536
flat angles P-C4'-P energy: -29.972
tors. eta vs tors. theta energy: -37.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -391.360295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.360295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.360295 (E_RNA)
where:
Base-Base interactions energy: -209.037
where: short stacking energy: -106.241
Base-Backbone interact. energy: -1.011
local terms energy: -181.312206
where:
bonds (distance) C4'-P energy: -44.179
bonds (distance) P-C4' energy: -38.236
flat angles C4'-P-C4' energy: -41.113
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -447.366986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.366986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.366986 (E_RNA)
where:
Base-Base interactions energy: -295.951
where: short stacking energy: -116.865
Base-Backbone interact. energy: -1.242
local terms energy: -150.173392
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -35.847
flat angles C4'-P-C4' energy: -31.425
flat angles P-C4'-P energy: -26.586
tors. eta vs tors. theta energy: -25.749
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: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -259.007432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.007432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.007432 (E_RNA)
where:
Base-Base interactions energy: -130.981
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.895
local terms energy: -127.131122
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -36.335
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -182.646548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.646548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.646548 (E_RNA)
where:
Base-Base interactions energy: -63.562
where: short stacking energy: -52.938
Base-Backbone interact. energy: 0.827
local terms energy: -119.911841
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -34.449
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -180.024823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.024823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.024823 (E_RNA)
where:
Base-Base interactions energy: -63.635
where: short stacking energy: -48.499
Base-Backbone interact. energy: -0.589
local terms energy: -115.800768
where:
bonds (distance) C4'-P energy: -31.966
bonds (distance) P-C4' energy: -37.934
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -2.833
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: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -706.762443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.762443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.762443 (E_RNA)
where:
Base-Base interactions energy: -498.386
where: short stacking energy: -202.677
Base-Backbone interact. energy: -1.247
local terms energy: -207.129049
where:
bonds (distance) C4'-P energy: -42.778
bonds (distance) P-C4' energy: -33.398
flat angles C4'-P-C4' energy: -44.520
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -59.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -668.658799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.658799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.658799 (E_RNA)
where:
Base-Base interactions energy: -462.581
where: short stacking energy: -187.922
Base-Backbone interact. energy: -0.274
local terms energy: -205.803032
where:
bonds (distance) C4'-P energy: -43.498
bonds (distance) P-C4' energy: -42.292
flat angles C4'-P-C4' energy: -39.756
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -54.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -595.574343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.574343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.574343 (E_RNA)
where:
Base-Base interactions energy: -389.521
where: short stacking energy: -167.982
Base-Backbone interact. energy: -0.158
local terms energy: -205.894979
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -39.431
flat angles C4'-P-C4' energy: -38.638
flat angles P-C4'-P energy: -29.079
tors. eta vs tors. theta energy: -52.270
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: 161
Temperature: 1.050000
Total energy: -573.707998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.707998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.707998 (E_RNA)
where:
Base-Base interactions energy: -387.515
where: short stacking energy: -173.264
Base-Backbone interact. energy: -0.254
local terms energy: -185.939599
where:
bonds (distance) C4'-P energy: -37.917
bonds (distance) P-C4' energy: -40.351
flat angles C4'-P-C4' energy: -38.194
flat angles P-C4'-P energy: -17.014
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: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -477.699658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.699658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.699658 (E_RNA)
where:
Base-Base interactions energy: -321.719
where: short stacking energy: -141.942
Base-Backbone interact. energy: -0.444
local terms energy: -155.536926
where:
bonds (distance) C4'-P energy: -30.034
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -36.739
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -40.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -442.851580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.851580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.851580 (E_RNA)
where:
Base-Base interactions energy: -292.678
where: short stacking energy: -133.778
Base-Backbone interact. energy: -0.924
local terms energy: -149.249263
where:
bonds (distance) C4'-P energy: -28.624
bonds (distance) P-C4' energy: -38.820
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -37.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -348.686335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.686335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.686335 (E_RNA)
where:
Base-Base interactions energy: -199.977
where: short stacking energy: -90.397
Base-Backbone interact. energy: -2.297
local terms energy: -146.412700
where:
bonds (distance) C4'-P energy: -32.187
bonds (distance) P-C4' energy: -37.704
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -199.252204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.252204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.252204 (E_RNA)
where:
Base-Base interactions energy: -92.939
where: short stacking energy: -60.843
Base-Backbone interact. energy: 2.538
local terms energy: -108.850427
where:
bonds (distance) C4'-P energy: -32.354
bonds (distance) P-C4' energy: -32.765
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: 2.847
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: 161
Temperature: 1.300000
Total energy: -276.566015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.566015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.566015 (E_RNA)
where:
Base-Base interactions energy: -148.178
where: short stacking energy: -73.339
Base-Backbone interact. energy: 0.239
local terms energy: -128.627800
where:
bonds (distance) C4'-P energy: -39.099
bonds (distance) P-C4' energy: -32.125
flat angles C4'-P-C4' energy: -37.847
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -180.138046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.138046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.138046 (E_RNA)
where:
Base-Base interactions energy: -81.377
where: short stacking energy: -67.065
Base-Backbone interact. energy: 0.759
local terms energy: -99.520705
where:
bonds (distance) C4'-P energy: -28.992
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -675.483489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.483489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.483489 (E_RNA)
where:
Base-Base interactions energy: -472.813
where: short stacking energy: -183.963
Base-Backbone interact. energy: -0.337
local terms energy: -202.333538
where:
bonds (distance) C4'-P energy: -38.986
bonds (distance) P-C4' energy: -43.727
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -59.059
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: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -696.692906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.692906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.692906 (E_RNA)
where:
Base-Base interactions energy: -489.397
where: short stacking energy: -197.722
Base-Backbone interact. energy: -2.318
local terms energy: -204.978116
where:
bonds (distance) C4'-P energy: -32.772
bonds (distance) P-C4' energy: -37.491
flat angles C4'-P-C4' energy: -38.405
flat angles P-C4'-P energy: -36.686
tors. eta vs tors. theta energy: -59.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -577.540130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.540130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.540130 (E_RNA)
where:
Base-Base interactions energy: -385.599
where: short stacking energy: -166.947
Base-Backbone interact. energy: 0.794
local terms energy: -192.735094
where:
bonds (distance) C4'-P energy: -38.118
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -38.175
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -54.133
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: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -575.188215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.188215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.188215 (E_RNA)
where:
Base-Base interactions energy: -370.142
where: short stacking energy: -175.256
Base-Backbone interact. energy: -0.368
local terms energy: -204.678373
where:
bonds (distance) C4'-P energy: -39.653
bonds (distance) P-C4' energy: -37.693
flat angles C4'-P-C4' energy: -45.380
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: -54.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -496.748491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.748491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.748491 (E_RNA)
where:
Base-Base interactions energy: -338.100
where: short stacking energy: -135.619
Base-Backbone interact. energy: 1.582
local terms energy: -160.231369
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -39.311
flat angles C4'-P-C4' energy: -32.970
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -34.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -472.052976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.052976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.052976 (E_RNA)
where:
Base-Base interactions energy: -303.308
where: short stacking energy: -133.816
Base-Backbone interact. energy: -1.385
local terms energy: -167.359769
where:
bonds (distance) C4'-P energy: -33.812
bonds (distance) P-C4' energy: -39.786
flat angles C4'-P-C4' energy: -33.553
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: -34.856
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: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -314.881986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.881986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.881986 (E_RNA)
where:
Base-Base interactions energy: -166.226
where: short stacking energy: -90.805
Base-Backbone interact. energy: 0.273
local terms energy: -148.929052
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -38.388
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -252.705151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.705151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.705151 (E_RNA)
where:
Base-Base interactions energy: -139.287
where: short stacking energy: -74.062
Base-Backbone interact. energy: 0.534
local terms energy: -113.951550
where:
bonds (distance) C4'-P energy: -30.918
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -30.089
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -291.094792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.094792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.094792 (E_RNA)
where:
Base-Base interactions energy: -166.553
where: short stacking energy: -78.249
Base-Backbone interact. energy: -0.845
local terms energy: -123.696376
where:
bonds (distance) C4'-P energy: -32.096
bonds (distance) P-C4' energy: -46.445
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -173.295975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.295975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.295975 (E_RNA)
where:
Base-Base interactions energy: -67.555
where: short stacking energy: -59.973
Base-Backbone interact. energy: 0.305
local terms energy: -106.045783
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -35.909
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -0.439
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: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -672.476542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.476542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.476542 (E_RNA)
where:
Base-Base interactions energy: -475.558
where: short stacking energy: -183.769
Base-Backbone interact. energy: -0.146
local terms energy: -196.772063
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -41.134
flat angles C4'-P-C4' energy: -42.796
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: -54.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -685.474630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.474630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.474630 (E_RNA)
where:
Base-Base interactions energy: -471.144
where: short stacking energy: -205.706
Base-Backbone interact. energy: -0.994
local terms energy: -213.335970
where:
bonds (distance) C4'-P energy: -39.694
bonds (distance) P-C4' energy: -38.375
flat angles C4'-P-C4' energy: -46.506
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -63.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -589.349960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.349960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.349960 (E_RNA)
where:
Base-Base interactions energy: -396.296
where: short stacking energy: -159.430
Base-Backbone interact. energy: 0.100
local terms energy: -193.154090
where:
bonds (distance) C4'-P energy: -43.332
bonds (distance) P-C4' energy: -42.894
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -49.749
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: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -559.623577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.623577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.623577 (E_RNA)
where:
Base-Base interactions energy: -362.423
where: short stacking energy: -159.336
Base-Backbone interact. energy: -1.041
local terms energy: -196.159993
where:
bonds (distance) C4'-P energy: -41.268
bonds (distance) P-C4' energy: -36.347
flat angles C4'-P-C4' energy: -42.757
flat angles P-C4'-P energy: -30.077
tors. eta vs tors. theta energy: -45.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -491.108137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.108137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.108137 (E_RNA)
where:
Base-Base interactions energy: -331.336
where: short stacking energy: -140.523
Base-Backbone interact. energy: 1.122
local terms energy: -160.894144
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -32.251
flat angles C4'-P-C4' energy: -37.964
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -29.386
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: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -456.440936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.440936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.440936 (E_RNA)
where:
Base-Base interactions energy: -296.864
where: short stacking energy: -144.119
Base-Backbone interact. energy: -0.822
local terms energy: -158.755028
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -36.820
flat angles C4'-P-C4' energy: -31.559
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -36.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -317.406684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.406684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.406684 (E_RNA)
where:
Base-Base interactions energy: -175.448
where: short stacking energy: -92.476
Base-Backbone interact. energy: 6.752
local terms energy: -148.710304
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -43.474
flat angles C4'-P-C4' energy: -31.971
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -242.145100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.145100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.145100 (E_RNA)
where:
Base-Base interactions energy: -124.467
where: short stacking energy: -53.925
Base-Backbone interact. energy: -1.129
local terms energy: -116.548607
where:
bonds (distance) C4'-P energy: -35.739
bonds (distance) P-C4' energy: -43.301
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: 7.912
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: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -197.697582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.697582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.697582 (E_RNA)
where:
Base-Base interactions energy: -88.624
where: short stacking energy: -51.503
Base-Backbone interact. energy: -2.116
local terms energy: -106.957672
where:
bonds (distance) C4'-P energy: -34.942
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: 3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -171.468540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.468540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.468540 (E_RNA)
where:
Base-Base interactions energy: -43.615
where: short stacking energy: -38.783
Base-Backbone interact. energy: 0.814
local terms energy: -128.667495
where:
bonds (distance) C4'-P energy: -40.874
bonds (distance) P-C4' energy: -38.807
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: 1.302
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: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -690.855701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.855701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.855701 (E_RNA)
where:
Base-Base interactions energy: -480.264
where: short stacking energy: -188.603
Base-Backbone interact. energy: -1.506
local terms energy: -209.085455
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -38.567
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -57.585
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: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -662.347038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.347038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.347038 (E_RNA)
where:
Base-Base interactions energy: -444.396
where: short stacking energy: -168.480
Base-Backbone interact. energy: -0.918
local terms energy: -217.032831
where:
bonds (distance) C4'-P energy: -46.630
bonds (distance) P-C4' energy: -42.404
flat angles C4'-P-C4' energy: -43.743
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -56.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -586.460225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.460225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.460225 (E_RNA)
where:
Base-Base interactions energy: -399.448
where: short stacking energy: -159.453
Base-Backbone interact. energy: -0.024
local terms energy: -186.988114
where:
bonds (distance) C4'-P energy: -36.565
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -34.316
flat angles P-C4'-P energy: -31.222
tors. eta vs tors. theta energy: -49.089
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: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -559.511989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.511989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.511989 (E_RNA)
where:
Base-Base interactions energy: -362.270
where: short stacking energy: -163.845
Base-Backbone interact. energy: 0.041
local terms energy: -197.283093
where:
bonds (distance) C4'-P energy: -36.771
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -45.996
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: -45.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -482.601119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.601119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.601119 (E_RNA)
where:
Base-Base interactions energy: -302.781
where: short stacking energy: -139.929
Base-Backbone interact. energy: -0.349
local terms energy: -179.470754
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -40.991
flat angles C4'-P-C4' energy: -35.369
flat angles P-C4'-P energy: -33.656
tors. eta vs tors. theta energy: -34.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -438.714024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.714024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.714024 (E_RNA)
where:
Base-Base interactions energy: -273.586
where: short stacking energy: -135.178
Base-Backbone interact. energy: 1.980
local terms energy: -167.108297
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -33.907
flat angles P-C4'-P energy: -28.728
tors. eta vs tors. theta energy: -34.080
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: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -322.297537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.297537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.297537 (E_RNA)
where:
Base-Base interactions energy: -163.667
where: short stacking energy: -99.310
Base-Backbone interact. energy: -1.058
local terms energy: -157.572822
where:
bonds (distance) C4'-P energy: -42.120
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -34.768
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -24.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -283.062864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.062864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.062864 (E_RNA)
where:
Base-Base interactions energy: -145.373
where: short stacking energy: -75.523
Base-Backbone interact. energy: 0.035
local terms energy: -137.725380
where:
bonds (distance) C4'-P energy: -32.498
bonds (distance) P-C4' energy: -42.333
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -32.236
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -191.527957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.527957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.527957 (E_RNA)
where:
Base-Base interactions energy: -67.883
where: short stacking energy: -47.669
Base-Backbone interact. energy: -0.123
local terms energy: -123.522417
where:
bonds (distance) C4'-P energy: -36.893
bonds (distance) P-C4' energy: -40.220
flat angles C4'-P-C4' energy: -28.514
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: 1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -178.155023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.155023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.155023 (E_RNA)
where:
Base-Base interactions energy: -53.836
where: short stacking energy: -48.395
Base-Backbone interact. energy: -1.343
local terms energy: -122.976359
where:
bonds (distance) C4'-P energy: -41.281
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: 3.269
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: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -699.500586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.500586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.500586 (E_RNA)
where:
Base-Base interactions energy: -466.955
where: short stacking energy: -192.763
Base-Backbone interact. energy: -1.255
local terms energy: -231.290043
where:
bonds (distance) C4'-P energy: -41.276
bonds (distance) P-C4' energy: -47.258
flat angles C4'-P-C4' energy: -46.051
flat angles P-C4'-P energy: -33.351
tors. eta vs tors. theta energy: -63.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -665.704671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.704671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.704671 (E_RNA)
where:
Base-Base interactions energy: -464.041
where: short stacking energy: -187.664
Base-Backbone interact. energy: 5.004
local terms energy: -206.667863
where:
bonds (distance) C4'-P energy: -40.978
bonds (distance) P-C4' energy: -42.156
flat angles C4'-P-C4' energy: -42.568
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -57.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -549.594863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.594863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.594863 (E_RNA)
where:
Base-Base interactions energy: -377.375
where: short stacking energy: -125.939
Base-Backbone interact. energy: -1.680
local terms energy: -170.540563
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -35.038
flat angles C4'-P-C4' energy: -34.620
flat angles P-C4'-P energy: -31.670
tors. eta vs tors. theta energy: -30.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -588.305821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.305821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.305821 (E_RNA)
where:
Base-Base interactions energy: -369.364
where: short stacking energy: -170.200
Base-Backbone interact. energy: -0.988
local terms energy: -217.953581
where:
bonds (distance) C4'-P energy: -39.972
bonds (distance) P-C4' energy: -43.911
flat angles C4'-P-C4' energy: -43.257
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -58.105
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: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -446.204332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.204332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.204332 (E_RNA)
where:
Base-Base interactions energy: -277.171
where: short stacking energy: -121.625
Base-Backbone interact. energy: -0.342
local terms energy: -168.691371
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -37.539
flat angles P-C4'-P energy: -25.366
tors. eta vs tors. theta energy: -40.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -452.455154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.455154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.455154 (E_RNA)
where:
Base-Base interactions energy: -281.262
where: short stacking energy: -140.449
Base-Backbone interact. energy: 0.273
local terms energy: -171.466280
where:
bonds (distance) C4'-P energy: -31.901
bonds (distance) P-C4' energy: -37.071
flat angles C4'-P-C4' energy: -34.570
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -47.333
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: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -380.341917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.341917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.341917 (E_RNA)
where:
Base-Base interactions energy: -207.447
where: short stacking energy: -122.814
Base-Backbone interact. energy: -0.731
local terms energy: -172.163442
where:
bonds (distance) C4'-P energy: -38.576
bonds (distance) P-C4' energy: -44.487
flat angles C4'-P-C4' energy: -35.465
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -27.459
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: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -255.196432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.196432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.196432 (E_RNA)
where:
Base-Base interactions energy: -114.704
where: short stacking energy: -77.997
Base-Backbone interact. energy: -0.969
local terms energy: -139.523614
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -42.036
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -177.759424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.759424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.759424 (E_RNA)
where:
Base-Base interactions energy: -65.003
where: short stacking energy: -43.115
Base-Backbone interact. energy: 0.076
local terms energy: -112.832746
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: 5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -181.381595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.381595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.381595 (E_RNA)
where:
Base-Base interactions energy: -48.379
where: short stacking energy: -48.814
Base-Backbone interact. energy: 0.297
local terms energy: -133.298899
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -43.959
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -21.206
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -696.014509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.014509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.014509 (E_RNA)
where:
Base-Base interactions energy: -477.624
where: short stacking energy: -194.976
Base-Backbone interact. energy: -0.858
local terms energy: -217.532662
where:
bonds (distance) C4'-P energy: -41.790
bonds (distance) P-C4' energy: -42.908
flat angles C4'-P-C4' energy: -46.931
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -55.277
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: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -668.716443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.716443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.716443 (E_RNA)
where:
Base-Base interactions energy: -475.666
where: short stacking energy: -190.247
Base-Backbone interact. energy: 3.798
local terms energy: -196.847867
where:
bonds (distance) C4'-P energy: -35.007
bonds (distance) P-C4' energy: -35.873
flat angles C4'-P-C4' energy: -41.326
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -57.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -584.324651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.324651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.324651 (E_RNA)
where:
Base-Base interactions energy: -390.750
where: short stacking energy: -167.704
Base-Backbone interact. energy: -0.545
local terms energy: -193.029633
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -41.565
flat angles C4'-P-C4' energy: -38.649
flat angles P-C4'-P energy: -22.534
tors. eta vs tors. theta energy: -53.094
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: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -539.779437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.779437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.779437 (E_RNA)
where:
Base-Base interactions energy: -362.617
where: short stacking energy: -139.634
Base-Backbone interact. energy: -1.769
local terms energy: -175.393833
where:
bonds (distance) C4'-P energy: -36.890
bonds (distance) P-C4' energy: -38.127
flat angles C4'-P-C4' energy: -42.217
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -34.526
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: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -475.019651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.019651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.019651 (E_RNA)
where:
Base-Base interactions energy: -291.612
where: short stacking energy: -137.659
Base-Backbone interact. energy: -0.931
local terms energy: -182.476750
where:
bonds (distance) C4'-P energy: -41.143
bonds (distance) P-C4' energy: -39.818
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -40.347
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: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -466.072745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.072745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.072745 (E_RNA)
where:
Base-Base interactions energy: -294.551
where: short stacking energy: -120.659
Base-Backbone interact. energy: 0.504
local terms energy: -172.025456
where:
bonds (distance) C4'-P energy: -35.421
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -39.636
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -31.042
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: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -339.105802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.105802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.105802 (E_RNA)
where:
Base-Base interactions energy: -181.406
where: short stacking energy: -101.876
Base-Backbone interact. energy: -0.550
local terms energy: -157.149705
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -30.894
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -33.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -249.586617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.586617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.586617 (E_RNA)
where:
Base-Base interactions energy: -120.290
where: short stacking energy: -65.630
Base-Backbone interact. energy: -0.954
local terms energy: -128.343100
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -20.365
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: 166
Temperature: 1.300000
Total energy: -216.882291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.882291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.882291 (E_RNA)
where:
Base-Base interactions energy: -90.815
where: short stacking energy: -61.205
Base-Backbone interact. energy: 0.357
local terms energy: -126.424727
where:
bonds (distance) C4'-P energy: -32.453
bonds (distance) P-C4' energy: -37.827
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -174.899917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.899917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.899917 (E_RNA)
where:
Base-Base interactions energy: -51.934
where: short stacking energy: -41.761
Base-Backbone interact. energy: 0.570
local terms energy: -123.535965
where:
bonds (distance) C4'-P energy: -41.488
bonds (distance) P-C4' energy: -41.313
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: 1.887
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: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -684.040609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.040609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.040609 (E_RNA)
where:
Base-Base interactions energy: -479.550
where: short stacking energy: -196.652
Base-Backbone interact. energy: -0.768
local terms energy: -203.722304
where:
bonds (distance) C4'-P energy: -43.187
bonds (distance) P-C4' energy: -33.511
flat angles C4'-P-C4' energy: -44.418
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -59.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -668.671918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.671918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.671918 (E_RNA)
where:
Base-Base interactions energy: -476.190
where: short stacking energy: -193.926
Base-Backbone interact. energy: 1.534
local terms energy: -194.015851
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -39.810
flat angles C4'-P-C4' energy: -39.891
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: -54.410
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: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -587.556602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.556602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.556602 (E_RNA)
where:
Base-Base interactions energy: -389.120
where: short stacking energy: -165.865
Base-Backbone interact. energy: -0.403
local terms energy: -198.033631
where:
bonds (distance) C4'-P energy: -38.550
bonds (distance) P-C4' energy: -43.654
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -55.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -578.232608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.232608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.232608 (E_RNA)
where:
Base-Base interactions energy: -397.935
where: short stacking energy: -160.477
Base-Backbone interact. energy: -0.324
local terms energy: -179.974185
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -39.807
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -47.568
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: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -490.106542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.106542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.106542 (E_RNA)
where:
Base-Base interactions energy: -303.069
where: short stacking energy: -150.993
Base-Backbone interact. energy: 1.134
local terms energy: -188.171124
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -41.448
flat angles P-C4'-P energy: -28.079
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: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -457.195735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.195735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.195735 (E_RNA)
where:
Base-Base interactions energy: -300.007
where: short stacking energy: -127.916
Base-Backbone interact. energy: 1.020
local terms energy: -158.209365
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -36.562
flat angles P-C4'-P energy: -29.449
tors. eta vs tors. theta energy: -32.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -378.167543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.167543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.167543 (E_RNA)
where:
Base-Base interactions energy: -226.144
where: short stacking energy: -102.993
Base-Backbone interact. energy: -1.035
local terms energy: -150.988701
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -35.971
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -201.590761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.590761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.590761 (E_RNA)
where:
Base-Base interactions energy: -76.305
where: short stacking energy: -69.540
Base-Backbone interact. energy: -0.532
local terms energy: -124.753590
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -32.610
flat angles C4'-P-C4' energy: -36.902
flat angles P-C4'-P energy: -25.920
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: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -185.912795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.912795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.912795 (E_RNA)
where:
Base-Base interactions energy: -54.728
where: short stacking energy: -45.354
Base-Backbone interact. energy: -0.400
local terms energy: -130.784468
where:
bonds (distance) C4'-P energy: -37.777
bonds (distance) P-C4' energy: -43.901
flat angles C4'-P-C4' energy: -29.380
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -170.467645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.467645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.467645 (E_RNA)
where:
Base-Base interactions energy: -69.621
where: short stacking energy: -33.590
Base-Backbone interact. energy: -1.183
local terms energy: -99.663557
where:
bonds (distance) C4'-P energy: -41.453
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: 10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -686.286372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.286372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.286372 (E_RNA)
where:
Base-Base interactions energy: -481.741
where: short stacking energy: -195.550
Base-Backbone interact. energy: -1.260
local terms energy: -203.285599
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -37.869
flat angles C4'-P-C4' energy: -45.640
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -63.622
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: 168
Temperature: 0.950000
Total energy: -674.810221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.810221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.810221 (E_RNA)
where:
Base-Base interactions energy: -490.099
where: short stacking energy: -192.204
Base-Backbone interact. energy: 0.305
local terms energy: -185.016657
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -37.452
flat angles C4'-P-C4' energy: -36.251
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -56.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -585.138557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.138557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.138557 (E_RNA)
where:
Base-Base interactions energy: -392.877
where: short stacking energy: -169.084
Base-Backbone interact. energy: -0.851
local terms energy: -191.410231
where:
bonds (distance) C4'-P energy: -40.464
bonds (distance) P-C4' energy: -32.601
flat angles C4'-P-C4' energy: -42.562
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -54.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -587.040012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.040012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.040012 (E_RNA)
where:
Base-Base interactions energy: -392.324
where: short stacking energy: -170.161
Base-Backbone interact. energy: -0.403
local terms energy: -194.313328
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -41.642
flat angles C4'-P-C4' energy: -37.384
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -53.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -492.154064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.154064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.154064 (E_RNA)
where:
Base-Base interactions energy: -301.838
where: short stacking energy: -130.268
Base-Backbone interact. energy: -1.104
local terms energy: -189.212584
where:
bonds (distance) C4'-P energy: -41.514
bonds (distance) P-C4' energy: -42.286
flat angles C4'-P-C4' energy: -40.703
flat angles P-C4'-P energy: -27.173
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: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -451.389611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.389611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.389611 (E_RNA)
where:
Base-Base interactions energy: -287.223
where: short stacking energy: -141.253
Base-Backbone interact. energy: -0.247
local terms energy: -163.919549
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -44.052
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -33.514
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: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -363.833780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.833780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.833780 (E_RNA)
where:
Base-Base interactions energy: -223.966
where: short stacking energy: -107.121
Base-Backbone interact. energy: 0.601
local terms energy: -140.469491
where:
bonds (distance) C4'-P energy: -30.807
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -19.357
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: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -196.158267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.158267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.158267 (E_RNA)
where:
Base-Base interactions energy: -70.645
where: short stacking energy: -45.492
Base-Backbone interact. energy: -0.320
local terms energy: -125.193291
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -34.958
flat angles C4'-P-C4' energy: -36.842
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: 1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -181.439837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.439837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.439837 (E_RNA)
where:
Base-Base interactions energy: -68.169
where: short stacking energy: -64.832
Base-Backbone interact. energy: 5.368
local terms energy: -118.639321
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -41.368
flat angles C4'-P-C4' energy: -26.266
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -177.892656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.892656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.892656 (E_RNA)
where:
Base-Base interactions energy: -68.283
where: short stacking energy: -48.436
Base-Backbone interact. energy: -1.569
local terms energy: -108.040570
where:
bonds (distance) C4'-P energy: -35.226
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: 6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -677.879162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.879162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.879162 (E_RNA)
where:
Base-Base interactions energy: -452.438
where: short stacking energy: -187.563
Base-Backbone interact. energy: -0.561
local terms energy: -224.879563
where:
bonds (distance) C4'-P energy: -41.474
bonds (distance) P-C4' energy: -41.184
flat angles C4'-P-C4' energy: -48.671
flat angles P-C4'-P energy: -32.009
tors. eta vs tors. theta energy: -61.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -680.072482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.072482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.072482 (E_RNA)
where:
Base-Base interactions energy: -477.700
where: short stacking energy: -199.031
Base-Backbone interact. energy: -1.009
local terms energy: -201.363902
where:
bonds (distance) C4'-P energy: -37.594
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -38.739
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -54.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -575.464835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.464835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.464835 (E_RNA)
where:
Base-Base interactions energy: -394.064
where: short stacking energy: -155.057
Base-Backbone interact. energy: -0.595
local terms energy: -180.805687
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -34.380
flat angles C4'-P-C4' energy: -39.657
flat angles P-C4'-P energy: -30.232
tors. eta vs tors. theta energy: -44.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -570.169662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.169662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.169662 (E_RNA)
where:
Base-Base interactions energy: -387.276
where: short stacking energy: -161.023
Base-Backbone interact. energy: -1.098
local terms energy: -181.795827
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -36.251
flat angles C4'-P-C4' energy: -43.630
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -46.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -501.828203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.828203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.828203 (E_RNA)
where:
Base-Base interactions energy: -320.261
where: short stacking energy: -139.391
Base-Backbone interact. energy: -0.163
local terms energy: -181.404041
where:
bonds (distance) C4'-P energy: -39.842
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -39.777
flat angles P-C4'-P energy: -29.923
tors. eta vs tors. theta energy: -39.649
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: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -469.443161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.443161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.443161 (E_RNA)
where:
Base-Base interactions energy: -303.526
where: short stacking energy: -127.949
Base-Backbone interact. energy: 0.022
local terms energy: -165.939644
where:
bonds (distance) C4'-P energy: -34.439
bonds (distance) P-C4' energy: -38.095
flat angles C4'-P-C4' energy: -38.776
flat angles P-C4'-P energy: -24.386
tors. eta vs tors. theta energy: -30.244
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: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -436.220086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.220086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.220086 (E_RNA)
where:
Base-Base interactions energy: -259.826
where: short stacking energy: -114.119
Base-Backbone interact. energy: -0.356
local terms energy: -176.037579
where:
bonds (distance) C4'-P energy: -37.301
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -29.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -233.281641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.281641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.281641 (E_RNA)
where:
Base-Base interactions energy: -107.325
where: short stacking energy: -67.193
Base-Backbone interact. energy: -0.657
local terms energy: -125.299608
where:
bonds (distance) C4'-P energy: -30.922
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -33.000
flat angles P-C4'-P energy: -28.366
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -193.623195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.623195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.623195 (E_RNA)
where:
Base-Base interactions energy: -75.419
where: short stacking energy: -70.110
Base-Backbone interact. energy: 2.070
local terms energy: -120.273777
where:
bonds (distance) C4'-P energy: -30.154
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -26.694
flat angles P-C4'-P energy: -15.559
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: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -170.353657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.353657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.353657 (E_RNA)
where:
Base-Base interactions energy: -56.800
where: short stacking energy: -43.610
Base-Backbone interact. energy: 0.038
local terms energy: -113.591601
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -33.036
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -693.356926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.356926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.356926 (E_RNA)
where:
Base-Base interactions energy: -494.578
where: short stacking energy: -203.644
Base-Backbone interact. energy: -1.226
local terms energy: -197.553278
where:
bonds (distance) C4'-P energy: -37.324
bonds (distance) P-C4' energy: -40.011
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -26.187
tors. eta vs tors. theta energy: -57.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -662.864970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.864970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.864970 (E_RNA)
where:
Base-Base interactions energy: -457.839
where: short stacking energy: -191.931
Base-Backbone interact. energy: -0.778
local terms energy: -204.247680
where:
bonds (distance) C4'-P energy: -42.381
bonds (distance) P-C4' energy: -40.379
flat angles C4'-P-C4' energy: -43.577
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -55.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -583.688983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.688983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.688983 (E_RNA)
where:
Base-Base interactions energy: -380.211
where: short stacking energy: -176.084
Base-Backbone interact. energy: -0.935
local terms energy: -202.543044
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -45.596
flat angles C4'-P-C4' energy: -42.492
flat angles P-C4'-P energy: -29.833
tors. eta vs tors. theta energy: -50.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -560.080261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.080261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.080261 (E_RNA)
where:
Base-Base interactions energy: -390.177
where: short stacking energy: -171.048
Base-Backbone interact. energy: -0.295
local terms energy: -169.608336
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -37.212
flat angles C4'-P-C4' energy: -38.639
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -46.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -459.206809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.206809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.206809 (E_RNA)
where:
Base-Base interactions energy: -295.140
where: short stacking energy: -143.661
Base-Backbone interact. energy: -0.265
local terms energy: -163.801272
where:
bonds (distance) C4'-P energy: -39.888
bonds (distance) P-C4' energy: -31.706
flat angles C4'-P-C4' energy: -40.142
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -36.872
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: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -466.173748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.173748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.173748 (E_RNA)
where:
Base-Base interactions energy: -287.829
where: short stacking energy: -144.381
Base-Backbone interact. energy: -0.841
local terms energy: -177.503840
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -40.617
flat angles P-C4'-P energy: -19.957
tors. eta vs tors. theta energy: -44.790
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: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -459.295972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.295972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.295972 (E_RNA)
where:
Base-Base interactions energy: -287.520
where: short stacking energy: -136.093
Base-Backbone interact. energy: -3.620
local terms energy: -168.156105
where:
bonds (distance) C4'-P energy: -35.857
bonds (distance) P-C4' energy: -40.436
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -38.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -251.198981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.198981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.198981 (E_RNA)
where:
Base-Base interactions energy: -126.655
where: short stacking energy: -58.369
Base-Backbone interact. energy: 0.664
local terms energy: -125.207618
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -36.000
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -5.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -202.259875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.259875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.259875 (E_RNA)
where:
Base-Base interactions energy: -75.857
where: short stacking energy: -52.931
Base-Backbone interact. energy: 1.637
local terms energy: -128.038993
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -186.222586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.222586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.222586 (E_RNA)
where:
Base-Base interactions energy: -84.629
where: short stacking energy: -52.501
Base-Backbone interact. energy: -0.594
local terms energy: -100.999341
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: 1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -685.413448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.413448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.413448 (E_RNA)
where:
Base-Base interactions energy: -486.112
where: short stacking energy: -193.815
Base-Backbone interact. energy: -1.285
local terms energy: -198.017189
where:
bonds (distance) C4'-P energy: -39.515
bonds (distance) P-C4' energy: -39.095
flat angles C4'-P-C4' energy: -46.397
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -52.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -667.869541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.869541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.869541 (E_RNA)
where:
Base-Base interactions energy: -459.343
where: short stacking energy: -201.598
Base-Backbone interact. energy: 0.778
local terms energy: -209.304910
where:
bonds (distance) C4'-P energy: -38.488
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -45.372
flat angles P-C4'-P energy: -30.115
tors. eta vs tors. theta energy: -59.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -583.460195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.460195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.460195 (E_RNA)
where:
Base-Base interactions energy: -396.692
where: short stacking energy: -153.136
Base-Backbone interact. energy: -0.801
local terms energy: -185.967169
where:
bonds (distance) C4'-P energy: -36.633
bonds (distance) P-C4' energy: -35.031
flat angles C4'-P-C4' energy: -43.785
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -47.634
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: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -584.790546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.790546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.790546 (E_RNA)
where:
Base-Base interactions energy: -389.637
where: short stacking energy: -157.242
Base-Backbone interact. energy: 0.666
local terms energy: -195.819891
where:
bonds (distance) C4'-P energy: -40.705
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -42.450
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -51.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -469.364085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.364085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.364085 (E_RNA)
where:
Base-Base interactions energy: -293.595
where: short stacking energy: -137.392
Base-Backbone interact. energy: -1.081
local terms energy: -174.687619
where:
bonds (distance) C4'-P energy: -37.794
bonds (distance) P-C4' energy: -39.487
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -23.281
tors. eta vs tors. theta energy: -40.231
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: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -458.233374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.233374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.233374 (E_RNA)
where:
Base-Base interactions energy: -287.140
where: short stacking energy: -133.066
Base-Backbone interact. energy: -0.327
local terms energy: -170.765590
where:
bonds (distance) C4'-P energy: -31.566
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -38.696
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -35.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -392.069267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.069267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.069267 (E_RNA)
where:
Base-Base interactions energy: -240.712
where: short stacking energy: -113.107
Base-Backbone interact. energy: 0.205
local terms energy: -151.562330
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -33.720
flat angles C4'-P-C4' energy: -32.365
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -260.614584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.614584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.614584 (E_RNA)
where:
Base-Base interactions energy: -143.303
where: short stacking energy: -74.876
Base-Backbone interact. energy: -0.223
local terms energy: -117.088823
where:
bonds (distance) C4'-P energy: -30.980
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -6.787
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: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -195.377416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.377416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.377416 (E_RNA)
where:
Base-Base interactions energy: -70.754
where: short stacking energy: -47.053
Base-Backbone interact. energy: -0.529
local terms energy: -124.094333
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -41.159
flat angles C4'-P-C4' energy: -34.006
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: 5.668
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: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -206.507695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.507695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.507695 (E_RNA)
where:
Base-Base interactions energy: -92.553
where: short stacking energy: -49.344
Base-Backbone interact. energy: 0.374
local terms energy: -114.329144
where:
bonds (distance) C4'-P energy: -32.232
bonds (distance) P-C4' energy: -38.405
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: 5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -687.554282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.554282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.554282 (E_RNA)
where:
Base-Base interactions energy: -485.891
where: short stacking energy: -193.848
Base-Backbone interact. energy: 0.271
local terms energy: -201.934329
where:
bonds (distance) C4'-P energy: -40.641
bonds (distance) P-C4' energy: -35.352
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -30.583
tors. eta vs tors. theta energy: -54.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -652.450369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.450369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.450369 (E_RNA)
where:
Base-Base interactions energy: -444.544
where: short stacking energy: -187.952
Base-Backbone interact. energy: -0.786
local terms energy: -207.120594
where:
bonds (distance) C4'-P energy: -38.411
bonds (distance) P-C4' energy: -44.065
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -27.051
tors. eta vs tors. theta energy: -59.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -585.906053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.906053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.906053 (E_RNA)
where:
Base-Base interactions energy: -392.508
where: short stacking energy: -177.683
Base-Backbone interact. energy: -0.921
local terms energy: -192.476875
where:
bonds (distance) C4'-P energy: -41.943
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -39.821
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -56.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -614.066693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.066693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.066693 (E_RNA)
where:
Base-Base interactions energy: -418.892
where: short stacking energy: -176.868
Base-Backbone interact. energy: -1.498
local terms energy: -193.677149
where:
bonds (distance) C4'-P energy: -41.323
bonds (distance) P-C4' energy: -32.640
flat angles C4'-P-C4' energy: -46.312
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -46.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -481.484214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.484214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.484214 (E_RNA)
where:
Base-Base interactions energy: -312.974
where: short stacking energy: -141.093
Base-Backbone interact. energy: -4.023
local terms energy: -164.487256
where:
bonds (distance) C4'-P energy: -36.342
bonds (distance) P-C4' energy: -33.140
flat angles C4'-P-C4' energy: -30.769
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -40.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -455.529790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.529790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.529790 (E_RNA)
where:
Base-Base interactions energy: -283.803
where: short stacking energy: -149.655
Base-Backbone interact. energy: -0.455
local terms energy: -171.272023
where:
bonds (distance) C4'-P energy: -33.689
bonds (distance) P-C4' energy: -46.420
flat angles C4'-P-C4' energy: -34.764
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -35.517
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: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -394.137392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.137392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.137392 (E_RNA)
where:
Base-Base interactions energy: -239.973
where: short stacking energy: -109.049
Base-Backbone interact. energy: -0.731
local terms energy: -153.433489
where:
bonds (distance) C4'-P energy: -38.055
bonds (distance) P-C4' energy: -37.389
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -29.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -270.850444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.850444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.850444 (E_RNA)
where:
Base-Base interactions energy: -124.729
where: short stacking energy: -69.580
Base-Backbone interact. energy: -1.498
local terms energy: -144.623700
where:
bonds (distance) C4'-P energy: -33.065
bonds (distance) P-C4' energy: -46.036
flat angles C4'-P-C4' energy: -36.039
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -9.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -221.330782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.330782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.330782 (E_RNA)
where:
Base-Base interactions energy: -81.042
where: short stacking energy: -61.111
Base-Backbone interact. energy: -0.884
local terms energy: -139.405583
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -42.400
flat angles C4'-P-C4' energy: -36.379
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -176.089238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.089238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.089238 (E_RNA)
where:
Base-Base interactions energy: -56.559
where: short stacking energy: -47.660
Base-Backbone interact. energy: -1.567
local terms energy: -117.962656
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -32.251
flat angles C4'-P-C4' energy: -30.350
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -685.318028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.318028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.318028 (E_RNA)
where:
Base-Base interactions energy: -481.518
where: short stacking energy: -195.251
Base-Backbone interact. energy: -1.021
local terms energy: -202.778592
where:
bonds (distance) C4'-P energy: -38.938
bonds (distance) P-C4' energy: -39.947
flat angles C4'-P-C4' energy: -39.902
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -59.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -676.514607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.514607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.514607 (E_RNA)
where:
Base-Base interactions energy: -465.792
where: short stacking energy: -191.317
Base-Backbone interact. energy: -1.187
local terms energy: -209.535925
where:
bonds (distance) C4'-P energy: -38.571
bonds (distance) P-C4' energy: -41.158
flat angles C4'-P-C4' energy: -45.886
flat angles P-C4'-P energy: -25.723
tors. eta vs tors. theta energy: -58.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -584.276571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.276571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.276571 (E_RNA)
where:
Base-Base interactions energy: -384.917
where: short stacking energy: -170.949
Base-Backbone interact. energy: -0.281
local terms energy: -199.078780
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -35.691
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -33.426
tors. eta vs tors. theta energy: -50.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -602.885830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.885830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.885830 (E_RNA)
where:
Base-Base interactions energy: -419.027
where: short stacking energy: -160.543
Base-Backbone interact. energy: -0.999
local terms energy: -182.859232
where:
bonds (distance) C4'-P energy: -38.660
bonds (distance) P-C4' energy: -39.586
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -29.889
tors. eta vs tors. theta energy: -47.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -487.142994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.142994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.142994 (E_RNA)
where:
Base-Base interactions energy: -318.242
where: short stacking energy: -154.172
Base-Backbone interact. energy: -1.220
local terms energy: -167.681114
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -34.776
flat angles P-C4'-P energy: -27.206
tors. eta vs tors. theta energy: -40.230
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: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -457.655732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.655732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.655732 (E_RNA)
where:
Base-Base interactions energy: -290.594
where: short stacking energy: -132.343
Base-Backbone interact. energy: 0.044
local terms energy: -167.105698
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -35.992
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -26.328
tors. eta vs tors. theta energy: -36.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -436.691393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.691393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.691393 (E_RNA)
where:
Base-Base interactions energy: -273.074
where: short stacking energy: -126.742
Base-Backbone interact. energy: -0.619
local terms energy: -162.997850
where:
bonds (distance) C4'-P energy: -32.934
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -41.823
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -31.724
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: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -198.439118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.439118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.439118 (E_RNA)
where:
Base-Base interactions energy: -66.324
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.047
local terms energy: -132.068474
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -46.804
flat angles C4'-P-C4' energy: -27.162
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -186.638188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.638188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.638188 (E_RNA)
where:
Base-Base interactions energy: -71.011
where: short stacking energy: -50.823
Base-Backbone interact. energy: 4.075
local terms energy: -119.701728
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -44.101
flat angles C4'-P-C4' energy: -37.881
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: 7.134
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: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -173.232235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.232235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.232235 (E_RNA)
where:
Base-Base interactions energy: -67.158
where: short stacking energy: -57.032
Base-Backbone interact. energy: -1.443
local terms energy: -104.631282
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: 3.109
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: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -684.253699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.253699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.253699 (E_RNA)
where:
Base-Base interactions energy: -470.237
where: short stacking energy: -199.428
Base-Backbone interact. energy: -1.587
local terms energy: -212.429449
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -40.932
flat angles C4'-P-C4' energy: -45.813
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -65.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -684.524503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.524503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.524503 (E_RNA)
where:
Base-Base interactions energy: -480.880
where: short stacking energy: -196.011
Base-Backbone interact. energy: -0.255
local terms energy: -203.388874
where:
bonds (distance) C4'-P energy: -37.454
bonds (distance) P-C4' energy: -38.484
flat angles C4'-P-C4' energy: -47.451
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -60.235
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: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -624.029310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.029310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.029310 (E_RNA)
where:
Base-Base interactions energy: -420.640
where: short stacking energy: -178.960
Base-Backbone interact. energy: -0.130
local terms energy: -203.260052
where:
bonds (distance) C4'-P energy: -39.784
bonds (distance) P-C4' energy: -33.747
flat angles C4'-P-C4' energy: -37.905
flat angles P-C4'-P energy: -35.460
tors. eta vs tors. theta energy: -56.364
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: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -563.336473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.336473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.336473 (E_RNA)
where:
Base-Base interactions energy: -380.037
where: short stacking energy: -164.062
Base-Backbone interact. energy: -2.494
local terms energy: -180.805900
where:
bonds (distance) C4'-P energy: -34.200
bonds (distance) P-C4' energy: -31.047
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: -50.633
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: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -496.538477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.538477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.538477 (E_RNA)
where:
Base-Base interactions energy: -308.231
where: short stacking energy: -166.352
Base-Backbone interact. energy: -0.344
local terms energy: -187.963832
where:
bonds (distance) C4'-P energy: -33.795
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -43.885
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: -50.169
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: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -445.816811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.816811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.816811 (E_RNA)
where:
Base-Base interactions energy: -274.384
where: short stacking energy: -121.146
Base-Backbone interact. energy: -0.905
local terms energy: -170.527496
where:
bonds (distance) C4'-P energy: -38.039
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -37.129
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -36.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -401.848054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.848054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.848054 (E_RNA)
where:
Base-Base interactions energy: -250.471
where: short stacking energy: -108.212
Base-Backbone interact. energy: -0.861
local terms energy: -150.515514
where:
bonds (distance) C4'-P energy: -32.539
bonds (distance) P-C4' energy: -32.916
flat angles C4'-P-C4' energy: -36.684
flat angles P-C4'-P energy: -27.659
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -189.120333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.120333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.120333 (E_RNA)
where:
Base-Base interactions energy: -69.557
where: short stacking energy: -65.598
Base-Backbone interact. energy: -1.932
local terms energy: -117.632277
where:
bonds (distance) C4'-P energy: -33.939
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -182.686880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.686880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.686880 (E_RNA)
where:
Base-Base interactions energy: -74.699
where: short stacking energy: -55.852
Base-Backbone interact. energy: 2.341
local terms energy: -110.329174
where:
bonds (distance) C4'-P energy: -30.522
bonds (distance) P-C4' energy: -31.481
flat angles C4'-P-C4' energy: -28.968
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: 5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -173.432745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.432745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.432745 (E_RNA)
where:
Base-Base interactions energy: -59.248
where: short stacking energy: -51.308
Base-Backbone interact. energy: 2.369
local terms energy: -116.553437
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -31.266
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: 1.883
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: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -688.965672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.965672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.965672 (E_RNA)
where:
Base-Base interactions energy: -472.478
where: short stacking energy: -190.321
Base-Backbone interact. energy: 3.249
local terms energy: -219.737082
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -44.640
flat angles C4'-P-C4' energy: -43.100
flat angles P-C4'-P energy: -27.719
tors. eta vs tors. theta energy: -62.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -669.924948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.924948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.924948 (E_RNA)
where:
Base-Base interactions energy: -466.128
where: short stacking energy: -178.807
Base-Backbone interact. energy: -0.525
local terms energy: -203.271566
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -41.050
flat angles C4'-P-C4' energy: -41.719
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: -59.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -631.195777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.195777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.195777 (E_RNA)
where:
Base-Base interactions energy: -429.498
where: short stacking energy: -170.052
Base-Backbone interact. energy: -0.748
local terms energy: -200.950607
where:
bonds (distance) C4'-P energy: -38.238
bonds (distance) P-C4' energy: -38.150
flat angles C4'-P-C4' energy: -46.948
flat angles P-C4'-P energy: -26.447
tors. eta vs tors. theta energy: -51.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -571.655806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.655806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.655806 (E_RNA)
where:
Base-Base interactions energy: -381.999
where: short stacking energy: -153.849
Base-Backbone interact. energy: -0.372
local terms energy: -189.284496
where:
bonds (distance) C4'-P energy: -42.671
bonds (distance) P-C4' energy: -39.985
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -31.040
tors. eta vs tors. theta energy: -44.438
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: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -494.178913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.178913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.178913 (E_RNA)
where:
Base-Base interactions energy: -309.272
where: short stacking energy: -149.683
Base-Backbone interact. energy: -0.708
local terms energy: -184.198547
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -34.802
flat angles C4'-P-C4' energy: -42.780
flat angles P-C4'-P energy: -31.484
tors. eta vs tors. theta energy: -51.097
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: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -439.627458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.627458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.627458 (E_RNA)
where:
Base-Base interactions energy: -289.205
where: short stacking energy: -123.105
Base-Backbone interact. energy: 3.266
local terms energy: -153.688038
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -28.487
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -29.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -422.050930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.050930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.050930 (E_RNA)
where:
Base-Base interactions energy: -242.717
where: short stacking energy: -112.076
Base-Backbone interact. energy: -1.451
local terms energy: -177.883055
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -39.392
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -32.759
tors. eta vs tors. theta energy: -32.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -214.444658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.444658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.444658 (E_RNA)
where:
Base-Base interactions energy: -90.171
where: short stacking energy: -55.697
Base-Backbone interact. energy: 2.272
local terms energy: -126.544896
where:
bonds (distance) C4'-P energy: -34.288
bonds (distance) P-C4' energy: -33.346
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -9.011
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: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -173.628267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.628267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.628267 (E_RNA)
where:
Base-Base interactions energy: -57.736
where: short stacking energy: -52.478
Base-Backbone interact. energy: 1.667
local terms energy: -117.559552
where:
bonds (distance) C4'-P energy: -35.285
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -29.736
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -175.013262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.013262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.013262 (E_RNA)
where:
Base-Base interactions energy: -52.999
where: short stacking energy: -33.374
Base-Backbone interact. energy: -1.275
local terms energy: -120.739959
where:
bonds (distance) C4'-P energy: -38.447
bonds (distance) P-C4' energy: -38.297
flat angles C4'-P-C4' energy: -33.119
flat angles P-C4'-P energy: -22.613
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: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -683.550223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.550223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.550223 (E_RNA)
where:
Base-Base interactions energy: -470.231
where: short stacking energy: -188.555
Base-Backbone interact. energy: -0.392
local terms energy: -212.927243
where:
bonds (distance) C4'-P energy: -44.125
bonds (distance) P-C4' energy: -45.675
flat angles C4'-P-C4' energy: -43.283
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -57.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -689.563783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.563783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.563783 (E_RNA)
where:
Base-Base interactions energy: -472.322
where: short stacking energy: -199.257
Base-Backbone interact. energy: 1.095
local terms energy: -218.336456
where:
bonds (distance) C4'-P energy: -37.855
bonds (distance) P-C4' energy: -41.323
flat angles C4'-P-C4' energy: -48.549
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -61.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -573.963285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.963285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.963285 (E_RNA)
where:
Base-Base interactions energy: -391.318
where: short stacking energy: -160.162
Base-Backbone interact. energy: -2.089
local terms energy: -180.556553
where:
bonds (distance) C4'-P energy: -41.276
bonds (distance) P-C4' energy: -33.814
flat angles C4'-P-C4' energy: -39.938
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -42.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -604.835029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.835029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.835029 (E_RNA)
where:
Base-Base interactions energy: -410.747
where: short stacking energy: -170.820
Base-Backbone interact. energy: -0.901
local terms energy: -193.186771
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -34.826
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -49.904
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: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -513.914124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.914124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.914124 (E_RNA)
where:
Base-Base interactions energy: -335.268
where: short stacking energy: -151.753
Base-Backbone interact. energy: -0.430
local terms energy: -178.216270
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -39.877
flat angles C4'-P-C4' energy: -32.705
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -45.292
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: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -440.331693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.331693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.331693 (E_RNA)
where:
Base-Base interactions energy: -264.821
where: short stacking energy: -116.167
Base-Backbone interact. energy: -0.856
local terms energy: -174.654545
where:
bonds (distance) C4'-P energy: -45.705
bonds (distance) P-C4' energy: -35.875
flat angles C4'-P-C4' energy: -40.568
flat angles P-C4'-P energy: -28.608
tors. eta vs tors. theta energy: -23.899
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: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -429.899506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.899506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.899506 (E_RNA)
where:
Base-Base interactions energy: -259.123
where: short stacking energy: -109.349
Base-Backbone interact. energy: -0.172
local terms energy: -170.604135
where:
bonds (distance) C4'-P energy: -37.000
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -34.310
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -187.711227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.711227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.711227 (E_RNA)
where:
Base-Base interactions energy: -72.469
where: short stacking energy: -49.085
Base-Backbone interact. energy: 0.333
local terms energy: -115.575161
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -172.446538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.446538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.446538 (E_RNA)
where:
Base-Base interactions energy: -69.104
where: short stacking energy: -37.324
Base-Backbone interact. energy: 0.011
local terms energy: -103.353145
where:
bonds (distance) C4'-P energy: -30.297
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -184.859289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.859289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.859289 (E_RNA)
where:
Base-Base interactions energy: -70.070
where: short stacking energy: -42.544
Base-Backbone interact. energy: -0.894
local terms energy: -113.895564
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -33.068
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -25.467
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: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -675.837243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.837243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.837243 (E_RNA)
where:
Base-Base interactions energy: -477.712
where: short stacking energy: -184.260
Base-Backbone interact. energy: -1.081
local terms energy: -197.043719
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -42.874
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -56.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -675.840891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.840891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.840891 (E_RNA)
where:
Base-Base interactions energy: -461.223
where: short stacking energy: -185.415
Base-Backbone interact. energy: -1.354
local terms energy: -213.263604
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -37.512
flat angles C4'-P-C4' energy: -43.786
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -63.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -591.379612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.379612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.379612 (E_RNA)
where:
Base-Base interactions energy: -392.592
where: short stacking energy: -149.130
Base-Backbone interact. energy: 1.292
local terms energy: -200.080302
where:
bonds (distance) C4'-P energy: -41.577
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -42.771
flat angles P-C4'-P energy: -29.115
tors. eta vs tors. theta energy: -49.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -600.117222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.117222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.117222 (E_RNA)
where:
Base-Base interactions energy: -428.761
where: short stacking energy: -177.544
Base-Backbone interact. energy: 1.153
local terms energy: -172.509079
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -42.051
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -45.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -481.368471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.368471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.368471 (E_RNA)
where:
Base-Base interactions energy: -293.695
where: short stacking energy: -143.183
Base-Backbone interact. energy: -0.472
local terms energy: -187.200904
where:
bonds (distance) C4'-P energy: -38.444
bonds (distance) P-C4' energy: -34.444
flat angles C4'-P-C4' energy: -40.537
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -50.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -432.624244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.624244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.624244 (E_RNA)
where:
Base-Base interactions energy: -294.280
where: short stacking energy: -105.554
Base-Backbone interact. energy: 0.074
local terms energy: -138.417851
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -36.053
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -417.963514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.963514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.963514 (E_RNA)
where:
Base-Base interactions energy: -264.556
where: short stacking energy: -129.510
Base-Backbone interact. energy: 0.764
local terms energy: -154.171270
where:
bonds (distance) C4'-P energy: -26.802
bonds (distance) P-C4' energy: -33.053
flat angles C4'-P-C4' energy: -34.500
flat angles P-C4'-P energy: -23.601
tors. eta vs tors. theta energy: -36.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -211.872189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.872189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.872189 (E_RNA)
where:
Base-Base interactions energy: -82.279
where: short stacking energy: -59.162
Base-Backbone interact. energy: 0.483
local terms energy: -130.076696
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -42.910
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -187.725653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.725653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.725653 (E_RNA)
where:
Base-Base interactions energy: -71.109
where: short stacking energy: -42.248
Base-Backbone interact. energy: -0.259
local terms energy: -116.357373
where:
bonds (distance) C4'-P energy: -39.462
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -10.376
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: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -168.529512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.529512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.529512 (E_RNA)
where:
Base-Base interactions energy: -57.654
where: short stacking energy: -53.021
Base-Backbone interact. energy: 1.515
local terms energy: -112.390604
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -42.642
flat angles C4'-P-C4' energy: -27.259
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: 7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -673.621599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.621599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.621599 (E_RNA)
where:
Base-Base interactions energy: -464.288
where: short stacking energy: -190.190
Base-Backbone interact. energy: -1.278
local terms energy: -208.055458
where:
bonds (distance) C4'-P energy: -40.268
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -42.812
flat angles P-C4'-P energy: -25.558
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: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -689.817653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.817653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.817653 (E_RNA)
where:
Base-Base interactions energy: -479.347
where: short stacking energy: -192.811
Base-Backbone interact. energy: -0.642
local terms energy: -209.829430
where:
bonds (distance) C4'-P energy: -41.996
bonds (distance) P-C4' energy: -38.992
flat angles C4'-P-C4' energy: -42.931
flat angles P-C4'-P energy: -25.271
tors. eta vs tors. theta energy: -60.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -621.825920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.825920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.825920 (E_RNA)
where:
Base-Base interactions energy: -421.588
where: short stacking energy: -158.273
Base-Backbone interact. energy: -1.784
local terms energy: -198.453822
where:
bonds (distance) C4'-P energy: -39.170
bonds (distance) P-C4' energy: -40.950
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -36.706
tors. eta vs tors. theta energy: -47.078
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: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -572.605295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.605295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.605295 (E_RNA)
where:
Base-Base interactions energy: -380.433
where: short stacking energy: -147.366
Base-Backbone interact. energy: -1.567
local terms energy: -190.605043
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -44.663
flat angles C4'-P-C4' energy: -40.822
flat angles P-C4'-P energy: -31.308
tors. eta vs tors. theta energy: -43.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -489.009170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.009170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.009170 (E_RNA)
where:
Base-Base interactions energy: -313.061
where: short stacking energy: -131.546
Base-Backbone interact. energy: -1.650
local terms energy: -174.298387
where:
bonds (distance) C4'-P energy: -27.834
bonds (distance) P-C4' energy: -41.862
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -33.114
tors. eta vs tors. theta energy: -34.940
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: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -472.234777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.234777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.234777 (E_RNA)
where:
Base-Base interactions energy: -300.678
where: short stacking energy: -134.922
Base-Backbone interact. energy: -0.213
local terms energy: -171.344057
where:
bonds (distance) C4'-P energy: -37.398
bonds (distance) P-C4' energy: -36.840
flat angles C4'-P-C4' energy: -43.190
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -29.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -472.246053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.246053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.246053 (E_RNA)
where:
Base-Base interactions energy: -298.456
where: short stacking energy: -144.104
Base-Backbone interact. energy: -2.042
local terms energy: -171.747949
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -39.328
flat angles C4'-P-C4' energy: -35.591
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: -41.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -217.299015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.299015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.299015 (E_RNA)
where:
Base-Base interactions energy: -102.217
where: short stacking energy: -79.316
Base-Backbone interact. energy: -0.628
local terms energy: -114.454023
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -35.144
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -6.287
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: 178
Temperature: 1.300000
Total energy: -187.201262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.201262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.201262 (E_RNA)
where:
Base-Base interactions energy: -62.672
where: short stacking energy: -44.464
Base-Backbone interact. energy: 2.940
local terms energy: -127.469856
where:
bonds (distance) C4'-P energy: -41.329
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -33.736
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: 8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -175.779773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.779773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.779773 (E_RNA)
where:
Base-Base interactions energy: -58.694
where: short stacking energy: -47.361
Base-Backbone interact. energy: -0.409
local terms energy: -116.676608
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -34.180
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -2.210
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: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -689.053218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.053218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.053218 (E_RNA)
where:
Base-Base interactions energy: -480.676
where: short stacking energy: -194.511
Base-Backbone interact. energy: -1.045
local terms energy: -207.332059
where:
bonds (distance) C4'-P energy: -39.964
bonds (distance) P-C4' energy: -38.461
flat angles C4'-P-C4' energy: -46.586
flat angles P-C4'-P energy: -28.618
tors. eta vs tors. theta energy: -53.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -688.358248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.358248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.358248 (E_RNA)
where:
Base-Base interactions energy: -471.767
where: short stacking energy: -190.173
Base-Backbone interact. energy: -0.122
local terms energy: -216.469420
where:
bonds (distance) C4'-P energy: -35.284
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -45.256
flat angles P-C4'-P energy: -28.043
tors. eta vs tors. theta energy: -64.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -631.184099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.184099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.184099 (E_RNA)
where:
Base-Base interactions energy: -432.305
where: short stacking energy: -170.855
Base-Backbone interact. energy: -1.285
local terms energy: -197.594073
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -44.834
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -48.430
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: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -563.493722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.493722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.493722 (E_RNA)
where:
Base-Base interactions energy: -362.575
where: short stacking energy: -149.059
Base-Backbone interact. energy: -0.750
local terms energy: -200.168637
where:
bonds (distance) C4'-P energy: -35.372
bonds (distance) P-C4' energy: -45.497
flat angles C4'-P-C4' energy: -43.724
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: -47.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -519.766592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.766592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.766592 (E_RNA)
where:
Base-Base interactions energy: -346.381
where: short stacking energy: -152.809
Base-Backbone interact. energy: -1.441
local terms energy: -171.944243
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -34.707
flat angles C4'-P-C4' energy: -34.364
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -40.794
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: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -475.939991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.939991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.939991 (E_RNA)
where:
Base-Base interactions energy: -303.867
where: short stacking energy: -144.783
Base-Backbone interact. energy: -0.958
local terms energy: -171.115372
where:
bonds (distance) C4'-P energy: -33.409
bonds (distance) P-C4' energy: -31.696
flat angles C4'-P-C4' energy: -43.934
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -43.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -447.793340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.793340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.793340 (E_RNA)
where:
Base-Base interactions energy: -278.951
where: short stacking energy: -129.019
Base-Backbone interact. energy: -0.896
local terms energy: -167.946149
where:
bonds (distance) C4'-P energy: -28.139
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -33.829
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -37.677
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: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -198.725386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.725386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.725386 (E_RNA)
where:
Base-Base interactions energy: -68.025
where: short stacking energy: -52.344
Base-Backbone interact. energy: 0.087
local terms energy: -130.788082
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -31.971
flat angles P-C4'-P energy: -26.735
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: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -181.638397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.638397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.638397 (E_RNA)
where:
Base-Base interactions energy: -64.335
where: short stacking energy: -51.094
Base-Backbone interact. energy: -1.154
local terms energy: -116.149251
where:
bonds (distance) C4'-P energy: -35.268
bonds (distance) P-C4' energy: -38.999
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -160.346562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.346562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.346562 (E_RNA)
where:
Base-Base interactions energy: -43.255
where: short stacking energy: -35.574
Base-Backbone interact. energy: 0.937
local terms energy: -118.029325
where:
bonds (distance) C4'-P energy: -29.551
bonds (distance) P-C4' energy: -48.044
flat angles C4'-P-C4' energy: -32.022
flat angles P-C4'-P energy: -16.703
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: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -690.682176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.682176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.682176 (E_RNA)
where:
Base-Base interactions energy: -477.582
where: short stacking energy: -185.777
Base-Backbone interact. energy: -0.440
local terms energy: -212.659504
where:
bonds (distance) C4'-P energy: -40.486
bonds (distance) P-C4' energy: -42.046
flat angles C4'-P-C4' energy: -49.030
flat angles P-C4'-P energy: -24.329
tors. eta vs tors. theta energy: -56.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -667.793154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.793154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.793154 (E_RNA)
where:
Base-Base interactions energy: -466.738
where: short stacking energy: -186.349
Base-Backbone interact. energy: -1.485
local terms energy: -199.570679
where:
bonds (distance) C4'-P energy: -42.093
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -44.118
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: -54.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -622.382234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.382234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.382234 (E_RNA)
where:
Base-Base interactions energy: -430.632
where: short stacking energy: -163.817
Base-Backbone interact. energy: -0.684
local terms energy: -191.066536
where:
bonds (distance) C4'-P energy: -37.808
bonds (distance) P-C4' energy: -35.988
flat angles C4'-P-C4' energy: -39.915
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -44.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -575.850793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.850793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.850793 (E_RNA)
where:
Base-Base interactions energy: -382.688
where: short stacking energy: -167.696
Base-Backbone interact. energy: -0.454
local terms energy: -192.708787
where:
bonds (distance) C4'-P energy: -32.952
bonds (distance) P-C4' energy: -37.141
flat angles C4'-P-C4' energy: -42.454
flat angles P-C4'-P energy: -30.419
tors. eta vs tors. theta energy: -49.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -489.313582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.313582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.313582 (E_RNA)
where:
Base-Base interactions energy: -328.606
where: short stacking energy: -149.580
Base-Backbone interact. energy: -0.566
local terms energy: -160.141093
where:
bonds (distance) C4'-P energy: -31.095
bonds (distance) P-C4' energy: -34.239
flat angles C4'-P-C4' energy: -36.652
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -39.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -506.724832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.724832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.724832 (E_RNA)
where:
Base-Base interactions energy: -331.089
where: short stacking energy: -137.939
Base-Backbone interact. energy: -2.503
local terms energy: -173.132856
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -44.966
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: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -461.746556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.746556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.746556 (E_RNA)
where:
Base-Base interactions energy: -301.203
where: short stacking energy: -131.715
Base-Backbone interact. energy: -0.245
local terms energy: -160.299258
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -35.189
flat angles C4'-P-C4' energy: -35.226
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -37.289
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: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -195.107625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.107625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.107625 (E_RNA)
where:
Base-Base interactions energy: -77.134
where: short stacking energy: -60.496
Base-Backbone interact. energy: 1.608
local terms energy: -119.582222
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -40.918
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -200.279599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.279599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.279599 (E_RNA)
where:
Base-Base interactions energy: -87.153
where: short stacking energy: -57.058
Base-Backbone interact. energy: 0.426
local terms energy: -113.552762
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -33.202
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: 2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -176.157825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.157825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.157825 (E_RNA)
where:
Base-Base interactions energy: -76.448
where: short stacking energy: -61.018
Base-Backbone interact. energy: 2.183
local terms energy: -101.892511
where:
bonds (distance) C4'-P energy: -27.646
bonds (distance) P-C4' energy: -31.408
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: 6.496
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: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -692.943493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.943493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.943493 (E_RNA)
where:
Base-Base interactions energy: -485.605
where: short stacking energy: -188.548
Base-Backbone interact. energy: 1.775
local terms energy: -209.113956
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -42.934
flat angles C4'-P-C4' energy: -48.638
flat angles P-C4'-P energy: -30.904
tors. eta vs tors. theta energy: -54.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -673.360336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.360336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.360336 (E_RNA)
where:
Base-Base interactions energy: -464.244
where: short stacking energy: -187.579
Base-Backbone interact. energy: -1.119
local terms energy: -207.998051
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -43.443
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: -58.694
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: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -629.356294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.356294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.356294 (E_RNA)
where:
Base-Base interactions energy: -434.191
where: short stacking energy: -172.314
Base-Backbone interact. energy: -0.691
local terms energy: -194.474981
where:
bonds (distance) C4'-P energy: -27.924
bonds (distance) P-C4' energy: -40.688
flat angles C4'-P-C4' energy: -41.578
flat angles P-C4'-P energy: -33.219
tors. eta vs tors. theta energy: -51.066
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: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -520.375601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.375601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.375601 (E_RNA)
where:
Base-Base interactions energy: -327.382
where: short stacking energy: -158.893
Base-Backbone interact. energy: -0.249
local terms energy: -192.744620
where:
bonds (distance) C4'-P energy: -38.521
bonds (distance) P-C4' energy: -36.110
flat angles C4'-P-C4' energy: -40.473
flat angles P-C4'-P energy: -32.395
tors. eta vs tors. theta energy: -45.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -552.353648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.353648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.353648 (E_RNA)
where:
Base-Base interactions energy: -365.251
where: short stacking energy: -154.814
Base-Backbone interact. energy: -0.055
local terms energy: -187.047953
where:
bonds (distance) C4'-P energy: -34.660
bonds (distance) P-C4' energy: -39.036
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: -49.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -498.716762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.716762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.716762 (E_RNA)
where:
Base-Base interactions energy: -307.213
where: short stacking energy: -136.673
Base-Backbone interact. energy: -0.026
local terms energy: -191.478168
where:
bonds (distance) C4'-P energy: -42.774
bonds (distance) P-C4' energy: -43.851
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -27.456
tors. eta vs tors. theta energy: -43.941
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: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -494.591267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.591267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.591267 (E_RNA)
where:
Base-Base interactions energy: -318.806
where: short stacking energy: -143.386
Base-Backbone interact. energy: -0.156
local terms energy: -175.629698
where:
bonds (distance) C4'-P energy: -31.964
bonds (distance) P-C4' energy: -35.942
flat angles C4'-P-C4' energy: -37.126
flat angles P-C4'-P energy: -26.443
tors. eta vs tors. theta energy: -44.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -202.772572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.772572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.772572 (E_RNA)
where:
Base-Base interactions energy: -60.374
where: short stacking energy: -52.195
Base-Backbone interact. energy: -1.878
local terms energy: -140.520864
where:
bonds (distance) C4'-P energy: -32.717
bonds (distance) P-C4' energy: -44.729
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -22.536
tors. eta vs tors. theta energy: -11.737
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: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -211.559933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.559933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.559933 (E_RNA)
where:
Base-Base interactions energy: -112.305
where: short stacking energy: -62.436
Base-Backbone interact. energy: -1.022
local terms energy: -98.232728
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -3.720
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: 181
Temperature: 1.350000
Total energy: -170.629876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.629876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.629876 (E_RNA)
where:
Base-Base interactions energy: -59.706
where: short stacking energy: -47.429
Base-Backbone interact. energy: 1.904
local terms energy: -112.827299
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -41.415
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: 8.477
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: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -688.265514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.265514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.265514 (E_RNA)
where:
Base-Base interactions energy: -473.559
where: short stacking energy: -189.136
Base-Backbone interact. energy: 2.038
local terms energy: -216.743693
where:
bonds (distance) C4'-P energy: -40.717
bonds (distance) P-C4' energy: -42.696
flat angles C4'-P-C4' energy: -47.445
flat angles P-C4'-P energy: -30.986
tors. eta vs tors. theta energy: -54.901
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: 182
Temperature: 0.950000
Total energy: -670.440720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.440720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.440720 (E_RNA)
where:
Base-Base interactions energy: -465.645
where: short stacking energy: -190.334
Base-Backbone interact. energy: -1.228
local terms energy: -203.567448
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -44.186
flat angles C4'-P-C4' energy: -42.202
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -58.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -606.552376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.552376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.552376 (E_RNA)
where:
Base-Base interactions energy: -409.748
where: short stacking energy: -162.311
Base-Backbone interact. energy: 1.362
local terms energy: -198.166221
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -41.863
flat angles C4'-P-C4' energy: -45.514
flat angles P-C4'-P energy: -28.866
tors. eta vs tors. theta energy: -46.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -516.343445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.343445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.343445 (E_RNA)
where:
Base-Base interactions energy: -340.879
where: short stacking energy: -152.569
Base-Backbone interact. energy: -0.144
local terms energy: -175.320487
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -40.255
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -38.364
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: 182
Temperature: 1.100000
Total energy: -510.138337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.138337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.138337 (E_RNA)
where:
Base-Base interactions energy: -337.180
where: short stacking energy: -160.917
Base-Backbone interact. energy: -0.352
local terms energy: -172.605825
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -38.084
flat angles C4'-P-C4' energy: -38.906
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -43.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -523.471896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.471896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.471896 (E_RNA)
where:
Base-Base interactions energy: -344.371
where: short stacking energy: -156.504
Base-Backbone interact. energy: -0.408
local terms energy: -178.693461
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -40.511
flat angles C4'-P-C4' energy: -41.238
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -41.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -518.993933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.993933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.993933 (E_RNA)
where:
Base-Base interactions energy: -329.506
where: short stacking energy: -159.946
Base-Backbone interact. energy: -0.191
local terms energy: -189.296723
where:
bonds (distance) C4'-P energy: -36.226
bonds (distance) P-C4' energy: -35.437
flat angles C4'-P-C4' energy: -37.927
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: -52.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -237.613994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.613994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.613994 (E_RNA)
where:
Base-Base interactions energy: -93.989
where: short stacking energy: -68.498
Base-Backbone interact. energy: -2.908
local terms energy: -140.717410
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -40.611
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -28.269
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -188.635251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.635251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.635251 (E_RNA)
where:
Base-Base interactions energy: -72.432
where: short stacking energy: -60.550
Base-Backbone interact. energy: 1.705
local terms energy: -117.907880
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -36.177
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -179.358499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.358499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.358499 (E_RNA)
where:
Base-Base interactions energy: -74.154
where: short stacking energy: -55.432
Base-Backbone interact. energy: -1.185
local terms energy: -104.019216
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: 8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -680.829338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.829338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.829338 (E_RNA)
where:
Base-Base interactions energy: -463.560
where: short stacking energy: -196.238
Base-Backbone interact. energy: -0.936
local terms energy: -216.333941
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -41.439
flat angles C4'-P-C4' energy: -47.219
flat angles P-C4'-P energy: -29.766
tors. eta vs tors. theta energy: -61.711
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: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -674.845042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.845042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.845042 (E_RNA)
where:
Base-Base interactions energy: -475.500
where: short stacking energy: -179.937
Base-Backbone interact. energy: -0.274
local terms energy: -199.070310
where:
bonds (distance) C4'-P energy: -36.359
bonds (distance) P-C4' energy: -40.311
flat angles C4'-P-C4' energy: -45.111
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -51.866
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: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -612.516490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.516490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.516490 (E_RNA)
where:
Base-Base interactions energy: -416.563
where: short stacking energy: -169.298
Base-Backbone interact. energy: -0.785
local terms energy: -195.168201
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -41.043
flat angles C4'-P-C4' energy: -37.437
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -50.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -523.223716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.223716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.223716 (E_RNA)
where:
Base-Base interactions energy: -331.738
where: short stacking energy: -157.451
Base-Backbone interact. energy: -0.745
local terms energy: -190.741358
where:
bonds (distance) C4'-P energy: -37.999
bonds (distance) P-C4' energy: -38.564
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -25.643
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: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -481.115704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.115704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.115704 (E_RNA)
where:
Base-Base interactions energy: -315.633
where: short stacking energy: -137.132
Base-Backbone interact. energy: -0.689
local terms energy: -164.792943
where:
bonds (distance) C4'-P energy: -39.492
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -39.536
flat angles P-C4'-P energy: -25.373
tors. eta vs tors. theta energy: -19.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -525.108891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.108891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.108891 (E_RNA)
where:
Base-Base interactions energy: -352.062
where: short stacking energy: -151.131
Base-Backbone interact. energy: 0.990
local terms energy: -174.037021
where:
bonds (distance) C4'-P energy: -36.125
bonds (distance) P-C4' energy: -39.368
flat angles C4'-P-C4' energy: -41.089
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -38.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -486.425442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.425442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.425442 (E_RNA)
where:
Base-Base interactions energy: -321.097
where: short stacking energy: -156.649
Base-Backbone interact. energy: -0.320
local terms energy: -165.008224
where:
bonds (distance) C4'-P energy: -40.348
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -29.834
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: -44.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -207.971714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.971714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.971714 (E_RNA)
where:
Base-Base interactions energy: -79.243
where: short stacking energy: -42.728
Base-Backbone interact. energy: -0.065
local terms energy: -128.663530
where:
bonds (distance) C4'-P energy: -39.202
bonds (distance) P-C4' energy: -43.286
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -24.735
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: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -208.088286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.088286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.088286 (E_RNA)
where:
Base-Base interactions energy: -68.357
where: short stacking energy: -64.725
Base-Backbone interact. energy: 1.646
local terms energy: -141.376997
where:
bonds (distance) C4'-P energy: -38.207
bonds (distance) P-C4' energy: -41.963
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -177.922632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.922632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.922632 (E_RNA)
where:
Base-Base interactions energy: -64.165
where: short stacking energy: -47.214
Base-Backbone interact. energy: 0.500
local terms energy: -114.257889
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -34.079
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -15.151
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: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -680.032517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.032517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.032517 (E_RNA)
where:
Base-Base interactions energy: -460.582
where: short stacking energy: -198.801
Base-Backbone interact. energy: -0.355
local terms energy: -219.095838
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -47.224
flat angles C4'-P-C4' energy: -42.623
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -55.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -688.280737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.280737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.280737 (E_RNA)
where:
Base-Base interactions energy: -487.267
where: short stacking energy: -188.692
Base-Backbone interact. energy: -1.829
local terms energy: -199.184834
where:
bonds (distance) C4'-P energy: -38.201
bonds (distance) P-C4' energy: -33.368
flat angles C4'-P-C4' energy: -47.032
flat angles P-C4'-P energy: -21.336
tors. eta vs tors. theta energy: -59.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -626.958118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.958118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.958118 (E_RNA)
where:
Base-Base interactions energy: -417.815
where: short stacking energy: -171.102
Base-Backbone interact. energy: -0.372
local terms energy: -208.771025
where:
bonds (distance) C4'-P energy: -39.790
bonds (distance) P-C4' energy: -41.202
flat angles C4'-P-C4' energy: -43.069
flat angles P-C4'-P energy: -30.522
tors. eta vs tors. theta energy: -54.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -524.612780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.612780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.612780 (E_RNA)
where:
Base-Base interactions energy: -325.284
where: short stacking energy: -163.191
Base-Backbone interact. energy: -1.322
local terms energy: -198.006961
where:
bonds (distance) C4'-P energy: -40.960
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -41.349
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -51.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -516.346342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.346342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.346342 (E_RNA)
where:
Base-Base interactions energy: -345.167
where: short stacking energy: -141.259
Base-Backbone interact. energy: -0.418
local terms energy: -170.761360
where:
bonds (distance) C4'-P energy: -31.265
bonds (distance) P-C4' energy: -37.121
flat angles C4'-P-C4' energy: -34.076
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: -42.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -459.505699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.505699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.505699 (E_RNA)
where:
Base-Base interactions energy: -289.847
where: short stacking energy: -127.850
Base-Backbone interact. energy: -2.178
local terms energy: -167.480537
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -31.282
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: -38.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -469.190993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.190993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.190993 (E_RNA)
where:
Base-Base interactions energy: -312.683
where: short stacking energy: -146.629
Base-Backbone interact. energy: -1.303
local terms energy: -155.205249
where:
bonds (distance) C4'-P energy: -29.724
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -32.329
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -37.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -207.676146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.676146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.676146 (E_RNA)
where:
Base-Base interactions energy: -72.515
where: short stacking energy: -58.444
Base-Backbone interact. energy: 0.637
local terms energy: -135.798050
where:
bonds (distance) C4'-P energy: -37.923
bonds (distance) P-C4' energy: -41.900
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -186.129497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.129497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.129497 (E_RNA)
where:
Base-Base interactions energy: -87.178
where: short stacking energy: -72.431
Base-Backbone interact. energy: -1.242
local terms energy: -97.709353
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -1.908
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: 184
Temperature: 1.350000
Total energy: -189.340396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.340396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.340396 (E_RNA)
where:
Base-Base interactions energy: -76.482
where: short stacking energy: -54.409
Base-Backbone interact. energy: -2.497
local terms energy: -110.361258
where:
bonds (distance) C4'-P energy: -37.596
bonds (distance) P-C4' energy: -37.141
flat angles C4'-P-C4' energy: -31.536
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -678.025716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.025716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.025716 (E_RNA)
where:
Base-Base interactions energy: -463.852
where: short stacking energy: -189.414
Base-Backbone interact. energy: -0.113
local terms energy: -214.061333
where:
bonds (distance) C4'-P energy: -44.907
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -40.640
flat angles P-C4'-P energy: -31.171
tors. eta vs tors. theta energy: -58.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -673.210004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.210004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.210004 (E_RNA)
where:
Base-Base interactions energy: -483.055
where: short stacking energy: -183.468
Base-Backbone interact. energy: 0.071
local terms energy: -190.225764
where:
bonds (distance) C4'-P energy: -37.463
bonds (distance) P-C4' energy: -40.000
flat angles C4'-P-C4' energy: -42.166
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -51.739
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: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -606.299703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.299703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.299703 (E_RNA)
where:
Base-Base interactions energy: -410.208
where: short stacking energy: -175.872
Base-Backbone interact. energy: -0.742
local terms energy: -195.349259
where:
bonds (distance) C4'-P energy: -37.456
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -40.630
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -53.148
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: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -588.525799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.525799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.525799 (E_RNA)
where:
Base-Base interactions energy: -381.926
where: short stacking energy: -163.116
Base-Backbone interact. energy: 1.110
local terms energy: -207.709790
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -41.433
flat angles C4'-P-C4' energy: -46.604
flat angles P-C4'-P energy: -29.727
tors. eta vs tors. theta energy: -50.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -509.780109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.780109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.780109 (E_RNA)
where:
Base-Base interactions energy: -317.164
where: short stacking energy: -148.515
Base-Backbone interact. energy: -0.636
local terms energy: -191.980215
where:
bonds (distance) C4'-P energy: -35.324
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -35.500
flat angles P-C4'-P energy: -36.233
tors. eta vs tors. theta energy: -46.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -461.277181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.277181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.277181 (E_RNA)
where:
Base-Base interactions energy: -284.832
where: short stacking energy: -130.768
Base-Backbone interact. energy: -0.818
local terms energy: -175.626949
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -42.274
flat angles C4'-P-C4' energy: -42.008
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -32.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -474.071228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.071228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.071228 (E_RNA)
where:
Base-Base interactions energy: -309.462
where: short stacking energy: -128.141
Base-Backbone interact. energy: -0.464
local terms energy: -164.144878
where:
bonds (distance) C4'-P energy: -34.303
bonds (distance) P-C4' energy: -24.395
flat angles C4'-P-C4' energy: -36.437
flat angles P-C4'-P energy: -25.956
tors. eta vs tors. theta energy: -43.054
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: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -191.842545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.842545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.842545 (E_RNA)
where:
Base-Base interactions energy: -78.628
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.931
local terms energy: -112.282925
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -34.764
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: 1.451
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: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -179.867802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.867802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.867802 (E_RNA)
where:
Base-Base interactions energy: -68.764
where: short stacking energy: -52.318
Base-Backbone interact. energy: -1.247
local terms energy: -109.856558
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -40.796
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: 3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -173.542879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.542879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.542879 (E_RNA)
where:
Base-Base interactions energy: -55.062
where: short stacking energy: -55.062
Base-Backbone interact. energy: -0.319
local terms energy: -118.162416
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -32.528
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -685.978442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.978442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.978442 (E_RNA)
where:
Base-Base interactions energy: -476.332
where: short stacking energy: -201.844
Base-Backbone interact. energy: -1.080
local terms energy: -208.566318
where:
bonds (distance) C4'-P energy: -35.244
bonds (distance) P-C4' energy: -38.147
flat angles C4'-P-C4' energy: -46.087
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -64.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -675.126297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.126297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.126297 (E_RNA)
where:
Base-Base interactions energy: -478.315
where: short stacking energy: -180.230
Base-Backbone interact. energy: -2.765
local terms energy: -194.046131
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -34.086
flat angles C4'-P-C4' energy: -43.426
flat angles P-C4'-P energy: -23.422
tors. eta vs tors. theta energy: -56.473
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: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -617.281422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.281422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.281422 (E_RNA)
where:
Base-Base interactions energy: -414.910
where: short stacking energy: -168.668
Base-Backbone interact. energy: -1.588
local terms energy: -200.783072
where:
bonds (distance) C4'-P energy: -42.585
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -42.531
flat angles P-C4'-P energy: -29.525
tors. eta vs tors. theta energy: -50.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -558.284213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.284213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.284213 (E_RNA)
where:
Base-Base interactions energy: -376.101
where: short stacking energy: -157.078
Base-Backbone interact. energy: -0.699
local terms energy: -181.483832
where:
bonds (distance) C4'-P energy: -35.497
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -41.168
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: -46.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -471.433807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.433807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.433807 (E_RNA)
where:
Base-Base interactions energy: -282.479
where: short stacking energy: -127.991
Base-Backbone interact. energy: -1.880
local terms energy: -187.075038
where:
bonds (distance) C4'-P energy: -39.476
bonds (distance) P-C4' energy: -41.880
flat angles C4'-P-C4' energy: -39.737
flat angles P-C4'-P energy: -26.240
tors. eta vs tors. theta energy: -39.742
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: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -504.733693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.733693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.733693 (E_RNA)
where:
Base-Base interactions energy: -319.271
where: short stacking energy: -158.437
Base-Backbone interact. energy: -0.158
local terms energy: -185.304725
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -39.516
flat angles P-C4'-P energy: -32.328
tors. eta vs tors. theta energy: -50.165
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: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -448.606673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.606673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.606673 (E_RNA)
where:
Base-Base interactions energy: -293.933
where: short stacking energy: -140.197
Base-Backbone interact. energy: -0.856
local terms energy: -153.817664
where:
bonds (distance) C4'-P energy: -29.734
bonds (distance) P-C4' energy: -30.618
flat angles C4'-P-C4' energy: -36.540
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -35.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -283.532837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.532837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.532837 (E_RNA)
where:
Base-Base interactions energy: -157.836
where: short stacking energy: -76.167
Base-Backbone interact. energy: -1.463
local terms energy: -124.233580
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -38.919
flat angles C4'-P-C4' energy: -31.291
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -177.429979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.429979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.429979 (E_RNA)
where:
Base-Base interactions energy: -54.779
where: short stacking energy: -26.689
Base-Backbone interact. energy: -0.647
local terms energy: -122.004491
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -42.616
flat angles C4'-P-C4' energy: -37.152
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: 8.380
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: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -168.116103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.116103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.116103 (E_RNA)
where:
Base-Base interactions energy: -45.841
where: short stacking energy: -40.292
Base-Backbone interact. energy: -0.798
local terms energy: -121.477377
where:
bonds (distance) C4'-P energy: -24.915
bonds (distance) P-C4' energy: -44.182
flat angles C4'-P-C4' energy: -35.408
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: 5.154
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: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -678.618354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.618354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.618354 (E_RNA)
where:
Base-Base interactions energy: -470.465
where: short stacking energy: -193.143
Base-Backbone interact. energy: -0.279
local terms energy: -207.873659
where:
bonds (distance) C4'-P energy: -43.170
bonds (distance) P-C4' energy: -35.354
flat angles C4'-P-C4' energy: -41.533
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -60.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -678.908885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.908885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.908885 (E_RNA)
where:
Base-Base interactions energy: -481.571
where: short stacking energy: -182.365
Base-Backbone interact. energy: 1.374
local terms energy: -198.711463
where:
bonds (distance) C4'-P energy: -39.786
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -38.798
flat angles P-C4'-P energy: -29.868
tors. eta vs tors. theta energy: -56.303
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: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -605.814335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.814335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.814335 (E_RNA)
where:
Base-Base interactions energy: -423.321
where: short stacking energy: -177.493
Base-Backbone interact. energy: 0.993
local terms energy: -183.486183
where:
bonds (distance) C4'-P energy: -32.416
bonds (distance) P-C4' energy: -34.473
flat angles C4'-P-C4' energy: -48.638
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -46.006
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: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -556.147140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.147140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.147140 (E_RNA)
where:
Base-Base interactions energy: -368.313
where: short stacking energy: -154.172
Base-Backbone interact. energy: -1.086
local terms energy: -186.748458
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -44.010
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: -36.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -455.640662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.640662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.640662 (E_RNA)
where:
Base-Base interactions energy: -293.535
where: short stacking energy: -131.264
Base-Backbone interact. energy: -0.100
local terms energy: -162.005155
where:
bonds (distance) C4'-P energy: -32.416
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -38.169
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -29.301
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: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -481.532746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.532746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.532746 (E_RNA)
where:
Base-Base interactions energy: -308.592
where: short stacking energy: -148.302
Base-Backbone interact. energy: -1.181
local terms energy: -171.760376
where:
bonds (distance) C4'-P energy: -35.089
bonds (distance) P-C4' energy: -34.294
flat angles C4'-P-C4' energy: -40.399
flat angles P-C4'-P energy: -25.213
tors. eta vs tors. theta energy: -36.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -385.179577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.179577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.179577 (E_RNA)
where:
Base-Base interactions energy: -236.914
where: short stacking energy: -110.134
Base-Backbone interact. energy: -0.262
local terms energy: -148.003699
where:
bonds (distance) C4'-P energy: -38.001
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -28.574
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: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -320.696885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.696885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.696885 (E_RNA)
where:
Base-Base interactions energy: -184.948
where: short stacking energy: -84.136
Base-Backbone interact. energy: -0.098
local terms energy: -135.650829
where:
bonds (distance) C4'-P energy: -32.427
bonds (distance) P-C4' energy: -38.257
flat angles C4'-P-C4' energy: -28.691
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -188.032362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.032362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.032362 (E_RNA)
where:
Base-Base interactions energy: -59.494
where: short stacking energy: -54.957
Base-Backbone interact. energy: 0.226
local terms energy: -128.763831
where:
bonds (distance) C4'-P energy: -34.782
bonds (distance) P-C4' energy: -33.475
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -30.577
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -169.929697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.929697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.929697 (E_RNA)
where:
Base-Base interactions energy: -41.998
where: short stacking energy: -32.691
Base-Backbone interact. energy: -1.228
local terms energy: -126.703609
where:
bonds (distance) C4'-P energy: -40.726
bonds (distance) P-C4' energy: -38.817
flat angles C4'-P-C4' energy: -30.124
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -2.266
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: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -692.675962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.675962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.675962 (E_RNA)
where:
Base-Base interactions energy: -482.270
where: short stacking energy: -187.969
Base-Backbone interact. energy: -0.541
local terms energy: -209.864597
where:
bonds (distance) C4'-P energy: -41.711
bonds (distance) P-C4' energy: -41.155
flat angles C4'-P-C4' energy: -38.312
flat angles P-C4'-P energy: -31.089
tors. eta vs tors. theta energy: -57.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -666.556656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.556656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.556656 (E_RNA)
where:
Base-Base interactions energy: -460.464
where: short stacking energy: -188.285
Base-Backbone interact. energy: -0.494
local terms energy: -205.598798
where:
bonds (distance) C4'-P energy: -37.977
bonds (distance) P-C4' energy: -45.344
flat angles C4'-P-C4' energy: -42.307
flat angles P-C4'-P energy: -19.449
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: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -610.934069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.934069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.934069 (E_RNA)
where:
Base-Base interactions energy: -409.034
where: short stacking energy: -178.922
Base-Backbone interact. energy: 0.735
local terms energy: -202.635126
where:
bonds (distance) C4'-P energy: -34.813
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -47.246
flat angles P-C4'-P energy: -28.205
tors. eta vs tors. theta energy: -49.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -615.782805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.782805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.782805 (E_RNA)
where:
Base-Base interactions energy: -413.212
where: short stacking energy: -167.520
Base-Backbone interact. energy: -0.395
local terms energy: -202.175592
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -43.676
flat angles C4'-P-C4' energy: -44.420
flat angles P-C4'-P energy: -26.478
tors. eta vs tors. theta energy: -55.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -496.970706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.970706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.970706 (E_RNA)
where:
Base-Base interactions energy: -305.279
where: short stacking energy: -152.811
Base-Backbone interact. energy: -0.263
local terms energy: -191.428860
where:
bonds (distance) C4'-P energy: -45.005
bonds (distance) P-C4' energy: -38.301
flat angles C4'-P-C4' energy: -39.898
flat angles P-C4'-P energy: -26.201
tors. eta vs tors. theta energy: -42.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -437.792651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.792651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.792651 (E_RNA)
where:
Base-Base interactions energy: -279.080
where: short stacking energy: -126.724
Base-Backbone interact. energy: -0.677
local terms energy: -158.035726
where:
bonds (distance) C4'-P energy: -37.422
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -28.958
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: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -399.294986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.294986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.294986 (E_RNA)
where:
Base-Base interactions energy: -244.300
where: short stacking energy: -123.876
Base-Backbone interact. energy: -0.159
local terms energy: -154.835256
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -33.672
flat angles C4'-P-C4' energy: -34.735
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -31.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -310.704503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.704503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.704503 (E_RNA)
where:
Base-Base interactions energy: -186.264
where: short stacking energy: -85.901
Base-Backbone interact. energy: -0.745
local terms energy: -123.695252
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -33.588
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -194.178836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.178836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.178836 (E_RNA)
where:
Base-Base interactions energy: -77.107
where: short stacking energy: -37.553
Base-Backbone interact. energy: -0.900
local terms energy: -116.171133
where:
bonds (distance) C4'-P energy: -29.177
bonds (distance) P-C4' energy: -42.407
flat angles C4'-P-C4' energy: -30.996
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: 3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -170.870753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.870753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.870753 (E_RNA)
where:
Base-Base interactions energy: -75.132
where: short stacking energy: -36.518
Base-Backbone interact. energy: -1.934
local terms energy: -93.804852
where:
bonds (distance) C4'-P energy: -34.820
bonds (distance) P-C4' energy: -33.829
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -12.417
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: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -679.830005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.830005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.830005 (E_RNA)
where:
Base-Base interactions energy: -478.926
where: short stacking energy: -182.025
Base-Backbone interact. energy: -0.466
local terms energy: -200.438854
where:
bonds (distance) C4'-P energy: -40.034
bonds (distance) P-C4' energy: -38.513
flat angles C4'-P-C4' energy: -41.149
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -53.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -676.002879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.002879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.002879 (E_RNA)
where:
Base-Base interactions energy: -470.725
where: short stacking energy: -194.796
Base-Backbone interact. energy: 0.858
local terms energy: -206.136278
where:
bonds (distance) C4'-P energy: -33.615
bonds (distance) P-C4' energy: -40.998
flat angles C4'-P-C4' energy: -40.645
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: -56.627
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: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -598.065029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.065029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.065029 (E_RNA)
where:
Base-Base interactions energy: -397.470
where: short stacking energy: -187.210
Base-Backbone interact. energy: -0.026
local terms energy: -200.568750
where:
bonds (distance) C4'-P energy: -41.067
bonds (distance) P-C4' energy: -42.190
flat angles C4'-P-C4' energy: -45.670
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -49.281
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: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -601.329656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.329656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.329656 (E_RNA)
where:
Base-Base interactions energy: -406.666
where: short stacking energy: -168.050
Base-Backbone interact. energy: 0.825
local terms energy: -195.488823
where:
bonds (distance) C4'-P energy: -36.482
bonds (distance) P-C4' energy: -41.238
flat angles C4'-P-C4' energy: -43.172
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -49.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -497.114536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.114536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.114536 (E_RNA)
where:
Base-Base interactions energy: -320.240
where: short stacking energy: -137.073
Base-Backbone interact. energy: -0.214
local terms energy: -176.660251
where:
bonds (distance) C4'-P energy: -41.436
bonds (distance) P-C4' energy: -42.870
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -17.821
tors. eta vs tors. theta energy: -42.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -413.150192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.150192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.150192 (E_RNA)
where:
Base-Base interactions energy: -253.547
where: short stacking energy: -133.050
Base-Backbone interact. energy: -1.047
local terms energy: -158.555849
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -30.151
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -21.043
tors. eta vs tors. theta energy: -35.044
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: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -427.742403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.742403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.742403 (E_RNA)
where:
Base-Base interactions energy: -256.550
where: short stacking energy: -124.203
Base-Backbone interact. energy: -0.142
local terms energy: -171.050146
where:
bonds (distance) C4'-P energy: -37.985
bonds (distance) P-C4' energy: -37.205
flat angles C4'-P-C4' energy: -41.823
flat angles P-C4'-P energy: -26.752
tors. eta vs tors. theta energy: -27.286
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: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -328.941711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.941711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.941711 (E_RNA)
where:
Base-Base interactions energy: -187.859
where: short stacking energy: -106.462
Base-Backbone interact. energy: -0.361
local terms energy: -140.721440
where:
bonds (distance) C4'-P energy: -29.971
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -34.755
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -26.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -190.271172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.271172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.271172 (E_RNA)
where:
Base-Base interactions energy: -66.840
where: short stacking energy: -52.473
Base-Backbone interact. energy: 1.002
local terms energy: -124.433445
where:
bonds (distance) C4'-P energy: -34.282
bonds (distance) P-C4' energy: -38.793
flat angles C4'-P-C4' energy: -24.265
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -1.028
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: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -166.518814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.518814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.518814 (E_RNA)
where:
Base-Base interactions energy: -51.675
where: short stacking energy: -43.669
Base-Backbone interact. energy: -1.163
local terms energy: -113.680386
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -0.614
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: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -675.007637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.007637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.007637 (E_RNA)
where:
Base-Base interactions energy: -466.752
where: short stacking energy: -184.269
Base-Backbone interact. energy: -0.703
local terms energy: -207.552703
where:
bonds (distance) C4'-P energy: -44.744
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -40.659
flat angles P-C4'-P energy: -29.610
tors. eta vs tors. theta energy: -53.979
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: 190
Temperature: 0.950000
Total energy: -667.164792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.164792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.164792 (E_RNA)
where:
Base-Base interactions energy: -470.046
where: short stacking energy: -182.097
Base-Backbone interact. energy: 0.238
local terms energy: -197.356348
where:
bonds (distance) C4'-P energy: -37.792
bonds (distance) P-C4' energy: -42.061
flat angles C4'-P-C4' energy: -40.176
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -57.251
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: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -603.227079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.227079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.227079 (E_RNA)
where:
Base-Base interactions energy: -412.851
where: short stacking energy: -157.281
Base-Backbone interact. energy: -1.711
local terms energy: -188.664757
where:
bonds (distance) C4'-P energy: -36.125
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -43.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -567.437087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.437087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.437087 (E_RNA)
where:
Base-Base interactions energy: -386.476
where: short stacking energy: -179.210
Base-Backbone interact. energy: -0.436
local terms energy: -180.525644
where:
bonds (distance) C4'-P energy: -38.495
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -57.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -536.138238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.138238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.138238 (E_RNA)
where:
Base-Base interactions energy: -350.232
where: short stacking energy: -169.712
Base-Backbone interact. energy: -0.184
local terms energy: -185.722462
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -38.242
flat angles C4'-P-C4' energy: -40.448
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -50.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -398.511624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.511624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.511624 (E_RNA)
where:
Base-Base interactions energy: -244.241
where: short stacking energy: -112.685
Base-Backbone interact. energy: 0.647
local terms energy: -154.917687
where:
bonds (distance) C4'-P energy: -37.409
bonds (distance) P-C4' energy: -40.177
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -23.559
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: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -418.467710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.467710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.467710 (E_RNA)
where:
Base-Base interactions energy: -258.566
where: short stacking energy: -127.079
Base-Backbone interact. energy: -0.715
local terms energy: -159.186876
where:
bonds (distance) C4'-P energy: -27.827
bonds (distance) P-C4' energy: -34.325
flat angles C4'-P-C4' energy: -40.324
flat angles P-C4'-P energy: -22.282
tors. eta vs tors. theta energy: -34.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -314.403010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.403010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.403010 (E_RNA)
where:
Base-Base interactions energy: -158.513
where: short stacking energy: -84.169
Base-Backbone interact. energy: -0.577
local terms energy: -155.312803
where:
bonds (distance) C4'-P energy: -35.568
bonds (distance) P-C4' energy: -44.814
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -28.594
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -185.131643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.131643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.131643 (E_RNA)
where:
Base-Base interactions energy: -69.536
where: short stacking energy: -56.681
Base-Backbone interact. energy: -0.416
local terms energy: -115.179925
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -42.209
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -175.120576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.120576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.120576 (E_RNA)
where:
Base-Base interactions energy: -56.072
where: short stacking energy: -45.262
Base-Backbone interact. energy: -2.854
local terms energy: -116.194334
where:
bonds (distance) C4'-P energy: -26.985
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -32.980
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: 2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -677.535072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.535072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.535072 (E_RNA)
where:
Base-Base interactions energy: -469.040
where: short stacking energy: -191.271
Base-Backbone interact. energy: 0.755
local terms energy: -209.250190
where:
bonds (distance) C4'-P energy: -38.480
bonds (distance) P-C4' energy: -39.172
flat angles C4'-P-C4' energy: -38.602
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -60.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -670.261176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.261176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.261176 (E_RNA)
where:
Base-Base interactions energy: -489.902
where: short stacking energy: -196.218
Base-Backbone interact. energy: -2.137
local terms energy: -178.222724
where:
bonds (distance) C4'-P energy: -36.356
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -39.461
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -55.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -605.538733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.538733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.538733 (E_RNA)
where:
Base-Base interactions energy: -417.944
where: short stacking energy: -176.442
Base-Backbone interact. energy: -0.905
local terms energy: -186.689366
where:
bonds (distance) C4'-P energy: -34.705
bonds (distance) P-C4' energy: -38.966
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -41.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -551.404441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.404441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.404441 (E_RNA)
where:
Base-Base interactions energy: -357.962
where: short stacking energy: -151.107
Base-Backbone interact. energy: -0.399
local terms energy: -193.044011
where:
bonds (distance) C4'-P energy: -45.022
bonds (distance) P-C4' energy: -31.543
flat angles C4'-P-C4' energy: -39.297
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -46.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -499.960994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.960994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.960994 (E_RNA)
where:
Base-Base interactions energy: -318.887
where: short stacking energy: -156.334
Base-Backbone interact. energy: -0.334
local terms energy: -180.739088
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -43.004
flat angles P-C4'-P energy: -27.055
tors. eta vs tors. theta energy: -47.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -410.448988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.448988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.448988 (E_RNA)
where:
Base-Base interactions energy: -244.126
where: short stacking energy: -132.032
Base-Backbone interact. energy: -0.544
local terms energy: -165.778338
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -37.498
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: -26.590
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: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -378.166884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.166884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.166884 (E_RNA)
where:
Base-Base interactions energy: -239.218
where: short stacking energy: -112.426
Base-Backbone interact. energy: -1.497
local terms energy: -137.451465
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -40.799
flat angles C4'-P-C4' energy: -35.683
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -305.521638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.521638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.521638 (E_RNA)
where:
Base-Base interactions energy: -155.796
where: short stacking energy: -65.903
Base-Backbone interact. energy: -1.301
local terms energy: -148.424414
where:
bonds (distance) C4'-P energy: -40.480
bonds (distance) P-C4' energy: -37.425
flat angles C4'-P-C4' energy: -33.098
flat angles P-C4'-P energy: -26.576
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -190.293003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.293003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.293003 (E_RNA)
where:
Base-Base interactions energy: -74.544
where: short stacking energy: -59.248
Base-Backbone interact. energy: -0.730
local terms energy: -115.019715
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -38.465
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -209.612797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.612797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.612797 (E_RNA)
where:
Base-Base interactions energy: -92.960
where: short stacking energy: -57.237
Base-Backbone interact. energy: -0.603
local terms energy: -116.049754
where:
bonds (distance) C4'-P energy: -35.214
bonds (distance) P-C4' energy: -32.572
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -679.028183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.028183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.028183 (E_RNA)
where:
Base-Base interactions energy: -485.559
where: short stacking energy: -186.455
Base-Backbone interact. energy: -1.314
local terms energy: -192.155063
where:
bonds (distance) C4'-P energy: -38.283
bonds (distance) P-C4' energy: -38.928
flat angles C4'-P-C4' energy: -37.853
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -53.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -665.597058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.597058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.597058 (E_RNA)
where:
Base-Base interactions energy: -460.153
where: short stacking energy: -183.082
Base-Backbone interact. energy: -1.016
local terms energy: -204.427980
where:
bonds (distance) C4'-P energy: -38.579
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -25.381
tors. eta vs tors. theta energy: -59.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -634.153083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.153083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.153083 (E_RNA)
where:
Base-Base interactions energy: -431.442
where: short stacking energy: -157.167
Base-Backbone interact. energy: -1.765
local terms energy: -200.945527
where:
bonds (distance) C4'-P energy: -41.617
bonds (distance) P-C4' energy: -45.174
flat angles C4'-P-C4' energy: -40.387
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: -46.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -572.854375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.854375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.854375 (E_RNA)
where:
Base-Base interactions energy: -383.965
where: short stacking energy: -145.600
Base-Backbone interact. energy: -0.287
local terms energy: -188.603017
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -43.363
flat angles C4'-P-C4' energy: -44.160
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -46.574
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: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -518.937856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.937856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.937856 (E_RNA)
where:
Base-Base interactions energy: -327.309
where: short stacking energy: -154.772
Base-Backbone interact. energy: -0.039
local terms energy: -191.590232
where:
bonds (distance) C4'-P energy: -35.874
bonds (distance) P-C4' energy: -40.128
flat angles C4'-P-C4' energy: -38.853
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -51.674
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: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -415.887644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.887644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.887644 (E_RNA)
where:
Base-Base interactions energy: -263.096
where: short stacking energy: -109.650
Base-Backbone interact. energy: 0.018
local terms energy: -152.809582
where:
bonds (distance) C4'-P energy: -33.222
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -38.594
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -351.289208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.289208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.289208 (E_RNA)
where:
Base-Base interactions energy: -202.980
where: short stacking energy: -108.913
Base-Backbone interact. energy: -0.335
local terms energy: -147.973959
where:
bonds (distance) C4'-P energy: -26.331
bonds (distance) P-C4' energy: -42.424
flat angles C4'-P-C4' energy: -32.959
flat angles P-C4'-P energy: -24.363
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -364.569440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.569440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.569440 (E_RNA)
where:
Base-Base interactions energy: -224.973
where: short stacking energy: -105.185
Base-Backbone interact. energy: -2.158
local terms energy: -137.439148
where:
bonds (distance) C4'-P energy: -30.023
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -34.759
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -233.755188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.755188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.755188 (E_RNA)
where:
Base-Base interactions energy: -113.761
where: short stacking energy: -81.373
Base-Backbone interact. energy: -0.624
local terms energy: -119.370022
where:
bonds (distance) C4'-P energy: -27.555
bonds (distance) P-C4' energy: -32.224
flat angles C4'-P-C4' energy: -26.038
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -180.884229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.884229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.884229 (E_RNA)
where:
Base-Base interactions energy: -66.448
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.822
local terms energy: -113.614384
where:
bonds (distance) C4'-P energy: -30.623
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -672.966978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.966978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.966978 (E_RNA)
where:
Base-Base interactions energy: -483.004
where: short stacking energy: -183.852
Base-Backbone interact. energy: -0.621
local terms energy: -189.341392
where:
bonds (distance) C4'-P energy: -40.460
bonds (distance) P-C4' energy: -36.558
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -25.832
tors. eta vs tors. theta energy: -51.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -679.027127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.027127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.027127 (E_RNA)
where:
Base-Base interactions energy: -467.627
where: short stacking energy: -187.006
Base-Backbone interact. energy: -0.460
local terms energy: -210.940421
where:
bonds (distance) C4'-P energy: -39.963
bonds (distance) P-C4' energy: -37.638
flat angles C4'-P-C4' energy: -44.854
flat angles P-C4'-P energy: -28.915
tors. eta vs tors. theta energy: -59.570
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: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -628.547299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.547299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.547299 (E_RNA)
where:
Base-Base interactions energy: -414.992
where: short stacking energy: -164.826
Base-Backbone interact. energy: -0.914
local terms energy: -212.640452
where:
bonds (distance) C4'-P energy: -39.380
bonds (distance) P-C4' energy: -44.574
flat angles C4'-P-C4' energy: -45.753
flat angles P-C4'-P energy: -30.756
tors. eta vs tors. theta energy: -52.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -520.135312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.135312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.135312 (E_RNA)
where:
Base-Base interactions energy: -337.095
where: short stacking energy: -161.464
Base-Backbone interact. energy: -0.964
local terms energy: -182.076164
where:
bonds (distance) C4'-P energy: -39.634
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -35.157
flat angles P-C4'-P energy: -28.004
tors. eta vs tors. theta energy: -47.209
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: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -532.637814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.637814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.637814 (E_RNA)
where:
Base-Base interactions energy: -353.463
where: short stacking energy: -150.891
Base-Backbone interact. energy: -0.473
local terms energy: -178.701149
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -39.620
flat angles P-C4'-P energy: -27.032
tors. eta vs tors. theta energy: -38.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -455.158966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.158966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.158966 (E_RNA)
where:
Base-Base interactions energy: -287.350
where: short stacking energy: -137.364
Base-Backbone interact. energy: 0.019
local terms energy: -167.827545
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -38.034
flat angles C4'-P-C4' energy: -39.264
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: -34.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -369.569709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.569709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.569709 (E_RNA)
where:
Base-Base interactions energy: -212.943
where: short stacking energy: -112.157
Base-Backbone interact. energy: -0.292
local terms energy: -156.334854
where:
bonds (distance) C4'-P energy: -30.611
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -36.281
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -28.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -377.428612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.428612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.428612 (E_RNA)
where:
Base-Base interactions energy: -234.088
where: short stacking energy: -110.565
Base-Backbone interact. energy: -0.479
local terms energy: -142.861013
where:
bonds (distance) C4'-P energy: -31.943
bonds (distance) P-C4' energy: -29.070
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -27.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -193.476026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.476026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.476026 (E_RNA)
where:
Base-Base interactions energy: -64.875
where: short stacking energy: -51.989
Base-Backbone interact. energy: -0.153
local terms energy: -128.447790
where:
bonds (distance) C4'-P energy: -28.924
bonds (distance) P-C4' energy: -36.643
flat angles C4'-P-C4' energy: -32.705
flat angles P-C4'-P energy: -32.650
tors. eta vs tors. theta energy: 2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -187.819119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.819119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.819119 (E_RNA)
where:
Base-Base interactions energy: -69.985
where: short stacking energy: -49.194
Base-Backbone interact. energy: 0.224
local terms energy: -118.058559
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -37.798
flat angles C4'-P-C4' energy: -34.725
flat angles P-C4'-P energy: -10.500
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: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -695.725756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.725756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.725756 (E_RNA)
where:
Base-Base interactions energy: -473.252
where: short stacking energy: -190.021
Base-Backbone interact. energy: -0.108
local terms energy: -222.366028
where:
bonds (distance) C4'-P energy: -41.421
bonds (distance) P-C4' energy: -48.718
flat angles C4'-P-C4' energy: -49.351
flat angles P-C4'-P energy: -29.663
tors. eta vs tors. theta energy: -53.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -666.578467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.578467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.578467 (E_RNA)
where:
Base-Base interactions energy: -467.461
where: short stacking energy: -178.349
Base-Backbone interact. energy: -0.761
local terms energy: -198.355643
where:
bonds (distance) C4'-P energy: -33.696
bonds (distance) P-C4' energy: -43.292
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -28.055
tors. eta vs tors. theta energy: -53.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -635.098841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.098841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.098841 (E_RNA)
where:
Base-Base interactions energy: -424.365
where: short stacking energy: -177.135
Base-Backbone interact. energy: -1.059
local terms energy: -209.674771
where:
bonds (distance) C4'-P energy: -37.729
bonds (distance) P-C4' energy: -40.464
flat angles C4'-P-C4' energy: -40.803
flat angles P-C4'-P energy: -30.772
tors. eta vs tors. theta energy: -59.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -523.235588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.235588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.235588 (E_RNA)
where:
Base-Base interactions energy: -335.260
where: short stacking energy: -151.915
Base-Backbone interact. energy: 1.333
local terms energy: -189.309230
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -43.541
flat angles C4'-P-C4' energy: -34.731
flat angles P-C4'-P energy: -32.447
tors. eta vs tors. theta energy: -43.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -547.322336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.322336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.322336 (E_RNA)
where:
Base-Base interactions energy: -355.998
where: short stacking energy: -143.743
Base-Backbone interact. energy: -2.988
local terms energy: -188.335535
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -44.318
flat angles C4'-P-C4' energy: -38.858
flat angles P-C4'-P energy: -25.642
tors. eta vs tors. theta energy: -41.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -472.981731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.981731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.981731 (E_RNA)
where:
Base-Base interactions energy: -304.004
where: short stacking energy: -130.509
Base-Backbone interact. energy: -0.782
local terms energy: -168.195508
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -37.121
flat angles P-C4'-P energy: -26.576
tors. eta vs tors. theta energy: -33.597
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: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -333.654321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.654321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.654321 (E_RNA)
where:
Base-Base interactions energy: -193.734
where: short stacking energy: -107.238
Base-Backbone interact. energy: -0.132
local terms energy: -139.788271
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -39.753
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -12.983
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: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -339.410550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.410550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.410550 (E_RNA)
where:
Base-Base interactions energy: -209.179
where: short stacking energy: -94.509
Base-Backbone interact. energy: 0.639
local terms energy: -130.870450
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -36.187
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -10.580
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: 194
Temperature: 1.300000
Total energy: -189.750317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.750317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.750317 (E_RNA)
where:
Base-Base interactions energy: -60.589
where: short stacking energy: -56.427
Base-Backbone interact. energy: 2.383
local terms energy: -131.544489
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -43.687
flat angles C4'-P-C4' energy: -33.684
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -189.436585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.436585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.436585 (E_RNA)
where:
Base-Base interactions energy: -67.111
where: short stacking energy: -50.993
Base-Backbone interact. energy: 0.239
local terms energy: -122.563845
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -37.356
flat angles C4'-P-C4' energy: -35.640
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: 1.854
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: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -702.634279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.634279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.634279 (E_RNA)
where:
Base-Base interactions energy: -478.132
where: short stacking energy: -200.773
Base-Backbone interact. energy: -0.581
local terms energy: -223.921394
where:
bonds (distance) C4'-P energy: -44.139
bonds (distance) P-C4' energy: -42.107
flat angles C4'-P-C4' energy: -47.028
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -60.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -655.742110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.742110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.742110 (E_RNA)
where:
Base-Base interactions energy: -458.498
where: short stacking energy: -191.982
Base-Backbone interact. energy: -1.977
local terms energy: -195.267431
where:
bonds (distance) C4'-P energy: -33.308
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -46.389
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: -59.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -631.351526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.351526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.351526 (E_RNA)
where:
Base-Base interactions energy: -440.545
where: short stacking energy: -178.614
Base-Backbone interact. energy: -0.886
local terms energy: -189.921151
where:
bonds (distance) C4'-P energy: -30.815
bonds (distance) P-C4' energy: -41.950
flat angles C4'-P-C4' energy: -44.108
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -56.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -556.376451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.376451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.376451 (E_RNA)
where:
Base-Base interactions energy: -357.073
where: short stacking energy: -154.598
Base-Backbone interact. energy: -0.628
local terms energy: -198.675528
where:
bonds (distance) C4'-P energy: -45.922
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -45.508
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -46.873
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: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -538.117663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.117663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.117663 (E_RNA)
where:
Base-Base interactions energy: -353.137
where: short stacking energy: -163.727
Base-Backbone interact. energy: -0.808
local terms energy: -184.172163
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -42.471
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -51.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -471.090957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.090957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.090957 (E_RNA)
where:
Base-Base interactions energy: -304.502
where: short stacking energy: -141.940
Base-Backbone interact. energy: -0.014
local terms energy: -166.574352
where:
bonds (distance) C4'-P energy: -37.935
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -38.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -364.689231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.689231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.689231 (E_RNA)
where:
Base-Base interactions energy: -205.784
where: short stacking energy: -103.778
Base-Backbone interact. energy: -1.054
local terms energy: -157.851040
where:
bonds (distance) C4'-P energy: -33.291
bonds (distance) P-C4' energy: -36.363
flat angles C4'-P-C4' energy: -36.612
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -27.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -350.642423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.642423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.642423 (E_RNA)
where:
Base-Base interactions energy: -213.791
where: short stacking energy: -98.010
Base-Backbone interact. energy: 1.641
local terms energy: -138.491958
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -30.141
flat angles C4'-P-C4' energy: -36.249
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -181.628379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.628379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.628379 (E_RNA)
where:
Base-Base interactions energy: -53.279
where: short stacking energy: -50.010
Base-Backbone interact. energy: 0.454
local terms energy: -128.802957
where:
bonds (distance) C4'-P energy: -41.878
bonds (distance) P-C4' energy: -39.943
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: 7.336
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: 195
Temperature: 1.350000
Total energy: -175.394173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.394173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.394173 (E_RNA)
where:
Base-Base interactions energy: -59.931
where: short stacking energy: -54.258
Base-Backbone interact. energy: 0.947
local terms energy: -116.410199
where:
bonds (distance) C4'-P energy: -29.110
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: 0.402
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: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -693.404729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.404729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.404729 (E_RNA)
where:
Base-Base interactions energy: -481.137
where: short stacking energy: -187.422
Base-Backbone interact. energy: -0.715
local terms energy: -211.553356
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -39.418
flat angles C4'-P-C4' energy: -40.813
flat angles P-C4'-P energy: -31.800
tors. eta vs tors. theta energy: -55.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -649.910116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.910116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.910116 (E_RNA)
where:
Base-Base interactions energy: -433.809
where: short stacking energy: -180.798
Base-Backbone interact. energy: -1.171
local terms energy: -214.930553
where:
bonds (distance) C4'-P energy: -40.783
bonds (distance) P-C4' energy: -42.543
flat angles C4'-P-C4' energy: -48.416
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -56.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -622.840630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.840630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.840630 (E_RNA)
where:
Base-Base interactions energy: -445.044
where: short stacking energy: -187.907
Base-Backbone interact. energy: -1.009
local terms energy: -176.787752
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -41.360
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: -45.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -595.698670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.698670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.698670 (E_RNA)
where:
Base-Base interactions energy: -405.393
where: short stacking energy: -158.965
Base-Backbone interact. energy: -0.165
local terms energy: -190.141125
where:
bonds (distance) C4'-P energy: -32.914
bonds (distance) P-C4' energy: -37.628
flat angles C4'-P-C4' energy: -44.381
flat angles P-C4'-P energy: -23.451
tors. eta vs tors. theta energy: -51.767
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: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -546.499726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.499726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.499726 (E_RNA)
where:
Base-Base interactions energy: -359.053
where: short stacking energy: -162.638
Base-Backbone interact. energy: -0.986
local terms energy: -186.461257
where:
bonds (distance) C4'-P energy: -31.319
bonds (distance) P-C4' energy: -36.892
flat angles C4'-P-C4' energy: -39.398
flat angles P-C4'-P energy: -24.913
tors. eta vs tors. theta energy: -53.939
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: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -498.623992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.623992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.623992 (E_RNA)
where:
Base-Base interactions energy: -325.501
where: short stacking energy: -148.043
Base-Backbone interact. energy: -0.815
local terms energy: -172.307304
where:
bonds (distance) C4'-P energy: -36.483
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -38.199
flat angles P-C4'-P energy: -28.570
tors. eta vs tors. theta energy: -41.402
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: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -379.711879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.711879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.711879 (E_RNA)
where:
Base-Base interactions energy: -227.136
where: short stacking energy: -110.653
Base-Backbone interact. energy: 2.023
local terms energy: -154.598527
where:
bonds (distance) C4'-P energy: -25.742
bonds (distance) P-C4' energy: -32.522
flat angles C4'-P-C4' energy: -40.121
flat angles P-C4'-P energy: -25.531
tors. eta vs tors. theta energy: -30.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -350.909004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.909004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.909004 (E_RNA)
where:
Base-Base interactions energy: -198.652
where: short stacking energy: -97.888
Base-Backbone interact. energy: 1.039
local terms energy: -153.296850
where:
bonds (distance) C4'-P energy: -33.883
bonds (distance) P-C4' energy: -42.584
flat angles C4'-P-C4' energy: -29.881
flat angles P-C4'-P energy: -25.689
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -174.902698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.902698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.902698 (E_RNA)
where:
Base-Base interactions energy: -51.864
where: short stacking energy: -49.665
Base-Backbone interact. energy: -0.146
local terms energy: -122.893104
where:
bonds (distance) C4'-P energy: -34.959
bonds (distance) P-C4' energy: -37.156
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -201.359246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.359246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.359246 (E_RNA)
where:
Base-Base interactions energy: -92.118
where: short stacking energy: -50.952
Base-Backbone interact. energy: -0.765
local terms energy: -108.475956
where:
bonds (distance) C4'-P energy: -31.141
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -3.982
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: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -703.023387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.023387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.023387 (E_RNA)
where:
Base-Base interactions energy: -479.956
where: short stacking energy: -197.177
Base-Backbone interact. energy: 0.055
local terms energy: -223.122135
where:
bonds (distance) C4'-P energy: -41.057
bonds (distance) P-C4' energy: -42.312
flat angles C4'-P-C4' energy: -50.003
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -62.529
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: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -650.280145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.280145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.280145 (E_RNA)
where:
Base-Base interactions energy: -448.234
where: short stacking energy: -175.067
Base-Backbone interact. energy: -1.195
local terms energy: -200.850634
where:
bonds (distance) C4'-P energy: -30.898
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -60.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -627.944154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.944154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.944154 (E_RNA)
where:
Base-Base interactions energy: -443.586
where: short stacking energy: -167.502
Base-Backbone interact. energy: -1.154
local terms energy: -183.204416
where:
bonds (distance) C4'-P energy: -35.185
bonds (distance) P-C4' energy: -37.934
flat angles C4'-P-C4' energy: -39.770
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -48.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -588.539336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.539336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.539336 (E_RNA)
where:
Base-Base interactions energy: -384.640
where: short stacking energy: -168.152
Base-Backbone interact. energy: -1.629
local terms energy: -202.270476
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -43.657
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -50.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -513.008533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.008533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.008533 (E_RNA)
where:
Base-Base interactions energy: -323.903
where: short stacking energy: -146.831
Base-Backbone interact. energy: -1.510
local terms energy: -187.595569
where:
bonds (distance) C4'-P energy: -39.889
bonds (distance) P-C4' energy: -38.392
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -26.986
tors. eta vs tors. theta energy: -46.963
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: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -488.297204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.297204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.297204 (E_RNA)
where:
Base-Base interactions energy: -313.837
where: short stacking energy: -129.154
Base-Backbone interact. energy: 0.896
local terms energy: -175.355574
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -40.670
flat angles C4'-P-C4' energy: -38.908
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -33.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -372.560005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.560005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.560005 (E_RNA)
where:
Base-Base interactions energy: -213.568
where: short stacking energy: -113.978
Base-Backbone interact. energy: -0.158
local terms energy: -158.833575
where:
bonds (distance) C4'-P energy: -36.045
bonds (distance) P-C4' energy: -29.365
flat angles C4'-P-C4' energy: -42.720
flat angles P-C4'-P energy: -24.097
tors. eta vs tors. theta energy: -26.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -321.981605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.981605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.981605 (E_RNA)
where:
Base-Base interactions energy: -186.360
where: short stacking energy: -91.781
Base-Backbone interact. energy: -1.073
local terms energy: -134.548813
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -39.977
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -204.890128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.890128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.890128 (E_RNA)
where:
Base-Base interactions energy: -74.557
where: short stacking energy: -68.093
Base-Backbone interact. energy: 0.945
local terms energy: -131.278035
where:
bonds (distance) C4'-P energy: -35.599
bonds (distance) P-C4' energy: -34.733
flat angles C4'-P-C4' energy: -37.788
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -177.224929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.224929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.224929 (E_RNA)
where:
Base-Base interactions energy: -53.674
where: short stacking energy: -47.326
Base-Backbone interact. energy: -0.974
local terms energy: -122.577432
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -40.377
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -693.552490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.552490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.552490 (E_RNA)
where:
Base-Base interactions energy: -486.632
where: short stacking energy: -199.429
Base-Backbone interact. energy: -0.988
local terms energy: -205.932481
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -44.243
flat angles C4'-P-C4' energy: -43.668
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -60.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -643.702011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.702011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.702011 (E_RNA)
where:
Base-Base interactions energy: -449.803
where: short stacking energy: -183.338
Base-Backbone interact. energy: -1.146
local terms energy: -192.753083
where:
bonds (distance) C4'-P energy: -34.190
bonds (distance) P-C4' energy: -39.853
flat angles C4'-P-C4' energy: -39.300
flat angles P-C4'-P energy: -26.450
tors. eta vs tors. theta energy: -52.961
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: 198
Temperature: 1.000000
Total energy: -582.663454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.663454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.663454 (E_RNA)
where:
Base-Base interactions energy: -383.145
where: short stacking energy: -171.975
Base-Backbone interact. energy: 1.779
local terms energy: -201.297330
where:
bonds (distance) C4'-P energy: -40.153
bonds (distance) P-C4' energy: -34.096
flat angles C4'-P-C4' energy: -39.833
flat angles P-C4'-P energy: -35.660
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: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -630.273346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.273346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.273346 (E_RNA)
where:
Base-Base interactions energy: -438.227
where: short stacking energy: -174.894
Base-Backbone interact. energy: -2.003
local terms energy: -190.043714
where:
bonds (distance) C4'-P energy: -28.554
bonds (distance) P-C4' energy: -46.038
flat angles C4'-P-C4' energy: -35.796
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: -53.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -543.211158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.211158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.211158 (E_RNA)
where:
Base-Base interactions energy: -352.642
where: short stacking energy: -145.562
Base-Backbone interact. energy: -0.325
local terms energy: -190.243825
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -39.882
flat angles C4'-P-C4' energy: -35.620
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -50.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -495.247166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.247166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.247166 (E_RNA)
where:
Base-Base interactions energy: -319.273
where: short stacking energy: -146.148
Base-Backbone interact. energy: -0.280
local terms energy: -175.694509
where:
bonds (distance) C4'-P energy: -36.939
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: -35.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -370.446655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.446655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.446655 (E_RNA)
where:
Base-Base interactions energy: -215.272
where: short stacking energy: -117.618
Base-Backbone interact. energy: 0.085
local terms energy: -155.258796
where:
bonds (distance) C4'-P energy: -35.658
bonds (distance) P-C4' energy: -37.832
flat angles C4'-P-C4' energy: -35.036
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: -27.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -349.721583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.721583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.721583 (E_RNA)
where:
Base-Base interactions energy: -209.041
where: short stacking energy: -86.434
Base-Backbone interact. energy: -0.596
local terms energy: -140.084144
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -35.845
flat angles C4'-P-C4' energy: -42.313
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -12.929
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: 198
Temperature: 1.300000
Total energy: -171.905695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.905695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.905695 (E_RNA)
where:
Base-Base interactions energy: -48.192
where: short stacking energy: -46.986
Base-Backbone interact. energy: -0.477
local terms energy: -123.236852
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -37.896
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -181.829696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.829696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.829696 (E_RNA)
where:
Base-Base interactions energy: -68.931
where: short stacking energy: -57.228
Base-Backbone interact. energy: 2.864
local terms energy: -115.762096
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -23.468
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: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -695.552430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.552430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.552430 (E_RNA)
where:
Base-Base interactions energy: -486.574
where: short stacking energy: -204.186
Base-Backbone interact. energy: 0.993
local terms energy: -209.971269
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -40.430
flat angles C4'-P-C4' energy: -49.228
flat angles P-C4'-P energy: -29.178
tors. eta vs tors. theta energy: -60.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -662.513327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.513327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.513327 (E_RNA)
where:
Base-Base interactions energy: -454.760
where: short stacking energy: -183.326
Base-Backbone interact. energy: -0.403
local terms energy: -207.351059
where:
bonds (distance) C4'-P energy: -38.496
bonds (distance) P-C4' energy: -36.090
flat angles C4'-P-C4' energy: -45.710
flat angles P-C4'-P energy: -29.000
tors. eta vs tors. theta energy: -58.056
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: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -604.102490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.102490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.102490 (E_RNA)
where:
Base-Base interactions energy: -411.804
where: short stacking energy: -182.130
Base-Backbone interact. energy: -0.199
local terms energy: -192.098727
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -36.953
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -26.422
tors. eta vs tors. theta energy: -53.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -625.881985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.881985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.881985 (E_RNA)
where:
Base-Base interactions energy: -432.267
where: short stacking energy: -170.746
Base-Backbone interact. energy: -2.094
local terms energy: -191.521292
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -38.752
flat angles C4'-P-C4' energy: -38.350
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: -52.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -513.823318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.823318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.823318 (E_RNA)
where:
Base-Base interactions energy: -334.692
where: short stacking energy: -165.632
Base-Backbone interact. energy: 0.139
local terms energy: -179.270339
where:
bonds (distance) C4'-P energy: -24.604
bonds (distance) P-C4' energy: -45.965
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: -49.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -493.984101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.984101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.984101 (E_RNA)
where:
Base-Base interactions energy: -318.846
where: short stacking energy: -152.650
Base-Backbone interact. energy: -0.862
local terms energy: -174.276104
where:
bonds (distance) C4'-P energy: -39.751
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -45.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -348.676688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.676688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.676688 (E_RNA)
where:
Base-Base interactions energy: -206.594
where: short stacking energy: -97.126
Base-Backbone interact. energy: -0.054
local terms energy: -142.028905
where:
bonds (distance) C4'-P energy: -34.879
bonds (distance) P-C4' energy: -37.739
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -355.076093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.076093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.076093 (E_RNA)
where:
Base-Base interactions energy: -194.750
where: short stacking energy: -90.573
Base-Backbone interact. energy: 0.962
local terms energy: -161.288671
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -43.156
flat angles C4'-P-C4' energy: -36.473
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -180.073200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.073200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.073200 (E_RNA)
where:
Base-Base interactions energy: -67.786
where: short stacking energy: -51.900
Base-Backbone interact. energy: 0.350
local terms energy: -112.637320
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -180.296860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.296860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.296860 (E_RNA)
where:
Base-Base interactions energy: -59.629
where: short stacking energy: -53.916
Base-Backbone interact. energy: 0.754
local terms energy: -121.421875
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -38.009
flat angles C4'-P-C4' energy: -28.546
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -684.908855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.908855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.908855 (E_RNA)
where:
Base-Base interactions energy: -458.258
where: short stacking energy: -200.838
Base-Backbone interact. energy: -1.308
local terms energy: -225.342428
where:
bonds (distance) C4'-P energy: -37.854
bonds (distance) P-C4' energy: -38.415
flat angles C4'-P-C4' energy: -50.786
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -63.317
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: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -667.040304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.040304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.040304 (E_RNA)
where:
Base-Base interactions energy: -460.045
where: short stacking energy: -186.861
Base-Backbone interact. energy: -0.758
local terms energy: -206.237661
where:
bonds (distance) C4'-P energy: -36.936
bonds (distance) P-C4' energy: -35.510
flat angles C4'-P-C4' energy: -49.282
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -56.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -656.658373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.658373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.658373 (E_RNA)
where:
Base-Base interactions energy: -457.874
where: short stacking energy: -182.654
Base-Backbone interact. energy: 0.633
local terms energy: -199.417041
where:
bonds (distance) C4'-P energy: -42.480
bonds (distance) P-C4' energy: -38.697
flat angles C4'-P-C4' energy: -41.199
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -53.992
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: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -592.279836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.279836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.279836 (E_RNA)
where:
Base-Base interactions energy: -390.277
where: short stacking energy: -168.911
Base-Backbone interact. energy: -0.179
local terms energy: -201.823132
where:
bonds (distance) C4'-P energy: -42.109
bonds (distance) P-C4' energy: -39.795
flat angles C4'-P-C4' energy: -39.738
flat angles P-C4'-P energy: -27.007
tors. eta vs tors. theta energy: -53.173
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: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -526.159543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.159543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.159543 (E_RNA)
where:
Base-Base interactions energy: -330.032
where: short stacking energy: -150.819
Base-Backbone interact. energy: -0.539
local terms energy: -195.588739
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -42.698
flat angles C4'-P-C4' energy: -44.841
flat angles P-C4'-P energy: -27.714
tors. eta vs tors. theta energy: -46.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -466.970466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.970466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.970466 (E_RNA)
where:
Base-Base interactions energy: -279.224
where: short stacking energy: -132.269
Base-Backbone interact. energy: -0.105
local terms energy: -187.640913
where:
bonds (distance) C4'-P energy: -32.504
bonds (distance) P-C4' energy: -45.388
flat angles C4'-P-C4' energy: -39.873
flat angles P-C4'-P energy: -29.345
tors. eta vs tors. theta energy: -40.530
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: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -366.179848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.179848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.179848 (E_RNA)
where:
Base-Base interactions energy: -215.699
where: short stacking energy: -117.935
Base-Backbone interact. energy: -1.282
local terms energy: -149.199265
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -41.267
flat angles C4'-P-C4' energy: -39.253
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -28.600
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: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -363.847074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.847074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.847074 (E_RNA)
where:
Base-Base interactions energy: -218.669
where: short stacking energy: -104.771
Base-Backbone interact. energy: -0.451
local terms energy: -144.727184
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -39.774
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -24.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -203.698786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.698786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.698786 (E_RNA)
where:
Base-Base interactions energy: -92.400
where: short stacking energy: -78.601
Base-Backbone interact. energy: -1.167
local terms energy: -110.131551
where:
bonds (distance) C4'-P energy: -26.445
bonds (distance) P-C4' energy: -32.191
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -2.918
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: 200
Temperature: 1.350000
Total energy: -178.287103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.287103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.287103 (E_RNA)
where:
Base-Base interactions energy: -63.168
where: short stacking energy: -58.674
Base-Backbone interact. energy: -0.781
local terms energy: -114.337920
where:
bonds (distance) C4'-P energy: -25.495
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -30.519
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -0.111
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: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -677.570468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.570468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.570468 (E_RNA)
where:
Base-Base interactions energy: -466.085
where: short stacking energy: -186.944
Base-Backbone interact. energy: 0.113
local terms energy: -211.598639
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -44.626
flat angles P-C4'-P energy: -29.005
tors. eta vs tors. theta energy: -57.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -665.421163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.421163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.421163 (E_RNA)
where:
Base-Base interactions energy: -466.878
where: short stacking energy: -184.543
Base-Backbone interact. energy: 0.551
local terms energy: -199.094654
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -45.587
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -52.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -628.320199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.320199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.320199 (E_RNA)
where:
Base-Base interactions energy: -424.722
where: short stacking energy: -178.843
Base-Backbone interact. energy: -1.913
local terms energy: -201.685063
where:
bonds (distance) C4'-P energy: -38.202
bonds (distance) P-C4' energy: -38.576
flat angles C4'-P-C4' energy: -45.798
flat angles P-C4'-P energy: -24.861
tors. eta vs tors. theta energy: -54.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -533.678434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.678434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.678434 (E_RNA)
where:
Base-Base interactions energy: -345.730
where: short stacking energy: -150.816
Base-Backbone interact. energy: -0.836
local terms energy: -187.112452
where:
bonds (distance) C4'-P energy: -31.988
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -42.555
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -44.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -565.859547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.859547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.859547 (E_RNA)
where:
Base-Base interactions energy: -377.319
where: short stacking energy: -160.209
Base-Backbone interact. energy: 1.206
local terms energy: -189.746572
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -32.327
flat angles C4'-P-C4' energy: -47.898
flat angles P-C4'-P energy: -31.134
tors. eta vs tors. theta energy: -45.291
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: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -480.863704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.863704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.863704 (E_RNA)
where:
Base-Base interactions energy: -307.195
where: short stacking energy: -139.095
Base-Backbone interact. energy: -0.192
local terms energy: -173.476786
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -35.096
flat angles C4'-P-C4' energy: -40.211
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -41.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -343.303486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.303486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.303486 (E_RNA)
where:
Base-Base interactions energy: -191.140
where: short stacking energy: -89.809
Base-Backbone interact. energy: -0.802
local terms energy: -151.361080
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -35.021
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -26.171
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: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -355.312592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.312592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.312592 (E_RNA)
where:
Base-Base interactions energy: -226.991
where: short stacking energy: -98.592
Base-Backbone interact. energy: 0.189
local terms energy: -128.510870
where:
bonds (distance) C4'-P energy: -32.860
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -37.908
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -14.809
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: 201
Temperature: 1.300000
Total energy: -212.915655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.915655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.915655 (E_RNA)
where:
Base-Base interactions energy: -97.300
where: short stacking energy: -61.939
Base-Backbone interact. energy: -0.581
local terms energy: -115.034376
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -37.322
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -5.166
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: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -167.622373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.622373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.622373 (E_RNA)
where:
Base-Base interactions energy: -55.201
where: short stacking energy: -40.062
Base-Backbone interact. energy: -0.910
local terms energy: -111.511946
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -14.973
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: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -698.697346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.697346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.697346 (E_RNA)
where:
Base-Base interactions energy: -480.226
where: short stacking energy: -195.162
Base-Backbone interact. energy: -0.616
local terms energy: -217.854925
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -42.953
flat angles C4'-P-C4' energy: -47.207
flat angles P-C4'-P energy: -29.752
tors. eta vs tors. theta energy: -60.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -648.219284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.219284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.219284 (E_RNA)
where:
Base-Base interactions energy: -471.935
where: short stacking energy: -168.949
Base-Backbone interact. energy: -1.589
local terms energy: -174.695620
where:
bonds (distance) C4'-P energy: -34.750
bonds (distance) P-C4' energy: -31.350
flat angles C4'-P-C4' energy: -39.037
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -50.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -629.001803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.001803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.001803 (E_RNA)
where:
Base-Base interactions energy: -444.601
where: short stacking energy: -186.771
Base-Backbone interact. energy: -0.931
local terms energy: -183.469101
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -38.584
flat angles C4'-P-C4' energy: -35.693
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -51.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -529.352633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.352633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.352633 (E_RNA)
where:
Base-Base interactions energy: -351.168
where: short stacking energy: -161.671
Base-Backbone interact. energy: -0.148
local terms energy: -178.036959
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -33.969
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -28.487
tors. eta vs tors. theta energy: -47.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -562.927200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.927200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.927200 (E_RNA)
where:
Base-Base interactions energy: -375.484
where: short stacking energy: -164.047
Base-Backbone interact. energy: 0.811
local terms energy: -188.254828
where:
bonds (distance) C4'-P energy: -34.730
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -34.587
flat angles P-C4'-P energy: -31.092
tors. eta vs tors. theta energy: -52.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -480.909071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.909071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.909071 (E_RNA)
where:
Base-Base interactions energy: -317.076
where: short stacking energy: -148.148
Base-Backbone interact. energy: -0.397
local terms energy: -163.435980
where:
bonds (distance) C4'-P energy: -28.969
bonds (distance) P-C4' energy: -38.750
flat angles C4'-P-C4' energy: -38.331
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -36.741
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: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -376.722003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.722003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.722003 (E_RNA)
where:
Base-Base interactions energy: -232.317
where: short stacking energy: -115.121
Base-Backbone interact. energy: -0.344
local terms energy: -144.061021
where:
bonds (distance) C4'-P energy: -34.311
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -35.852
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -317.139659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.139659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.139659 (E_RNA)
where:
Base-Base interactions energy: -168.339
where: short stacking energy: -93.838
Base-Backbone interact. energy: 0.994
local terms energy: -149.794837
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -45.929
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -198.359914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.359914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.359914 (E_RNA)
where:
Base-Base interactions energy: -88.650
where: short stacking energy: -53.855
Base-Backbone interact. energy: -1.197
local terms energy: -108.513429
where:
bonds (distance) C4'-P energy: -27.974
bonds (distance) P-C4' energy: -36.064
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -17.240
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: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -162.778547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.778547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.778547 (E_RNA)
where:
Base-Base interactions energy: -52.064
where: short stacking energy: -44.826
Base-Backbone interact. energy: 0.806
local terms energy: -111.520495
where:
bonds (distance) C4'-P energy: -38.568
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -701.339229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.339229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.339229 (E_RNA)
where:
Base-Base interactions energy: -493.592
where: short stacking energy: -206.635
Base-Backbone interact. energy: -2.094
local terms energy: -205.653248
where:
bonds (distance) C4'-P energy: -30.342
bonds (distance) P-C4' energy: -36.746
flat angles C4'-P-C4' energy: -46.644
flat angles P-C4'-P energy: -28.184
tors. eta vs tors. theta energy: -63.737
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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -670.281113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.281113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.281113 (E_RNA)
where:
Base-Base interactions energy: -476.950
where: short stacking energy: -183.322
Base-Backbone interact. energy: -0.457
local terms energy: -192.873835
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -38.038
flat angles C4'-P-C4' energy: -46.281
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -45.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -614.491190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.491190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.491190 (E_RNA)
where:
Base-Base interactions energy: -415.208
where: short stacking energy: -169.308
Base-Backbone interact. energy: -0.181
local terms energy: -199.102240
where:
bonds (distance) C4'-P energy: -40.360
bonds (distance) P-C4' energy: -42.265
flat angles C4'-P-C4' energy: -38.045
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -52.324
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: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -584.564995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.564995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.564995 (E_RNA)
where:
Base-Base interactions energy: -389.104
where: short stacking energy: -168.628
Base-Backbone interact. energy: 0.781
local terms energy: -196.241794
where:
bonds (distance) C4'-P energy: -31.895
bonds (distance) P-C4' energy: -40.998
flat angles C4'-P-C4' energy: -41.763
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: -56.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -513.031246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.031246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.031246 (E_RNA)
where:
Base-Base interactions energy: -339.951
where: short stacking energy: -154.195
Base-Backbone interact. energy: -0.518
local terms energy: -172.562521
where:
bonds (distance) C4'-P energy: -39.389
bonds (distance) P-C4' energy: -36.641
flat angles C4'-P-C4' energy: -43.545
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -36.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -515.645775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.645775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.645775 (E_RNA)
where:
Base-Base interactions energy: -327.817
where: short stacking energy: -159.756
Base-Backbone interact. energy: -0.508
local terms energy: -187.320936
where:
bonds (distance) C4'-P energy: -29.468
bonds (distance) P-C4' energy: -41.178
flat angles C4'-P-C4' energy: -38.434
flat angles P-C4'-P energy: -34.021
tors. eta vs tors. theta energy: -44.220
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: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -362.334125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.334125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.334125 (E_RNA)
where:
Base-Base interactions energy: -222.235
where: short stacking energy: -123.132
Base-Backbone interact. energy: -0.352
local terms energy: -139.746720
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -35.342
flat angles P-C4'-P energy: -19.904
tors. eta vs tors. theta energy: -28.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -323.054189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.054189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.054189 (E_RNA)
where:
Base-Base interactions energy: -183.769
where: short stacking energy: -81.003
Base-Backbone interact. energy: 0.013
local terms energy: -139.298133
where:
bonds (distance) C4'-P energy: -40.172
bonds (distance) P-C4' energy: -39.989
flat angles C4'-P-C4' energy: -36.681
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -176.925095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.925095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.925095 (E_RNA)
where:
Base-Base interactions energy: -63.460
where: short stacking energy: -54.876
Base-Backbone interact. energy: 0.268
local terms energy: -113.732882
where:
bonds (distance) C4'-P energy: -31.117
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -182.798634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.798634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.798634 (E_RNA)
where:
Base-Base interactions energy: -56.714
where: short stacking energy: -41.044
Base-Backbone interact. energy: 1.409
local terms energy: -127.493651
where:
bonds (distance) C4'-P energy: -34.075
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -28.315
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -2.312
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: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -678.886829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.886829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.886829 (E_RNA)
where:
Base-Base interactions energy: -472.744
where: short stacking energy: -190.441
Base-Backbone interact. energy: 1.046
local terms energy: -207.188624
where:
bonds (distance) C4'-P energy: -35.848
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -42.400
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: -59.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -671.306941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.306941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.306941 (E_RNA)
where:
Base-Base interactions energy: -472.268
where: short stacking energy: -184.735
Base-Backbone interact. energy: -0.408
local terms energy: -198.630925
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -39.773
flat angles C4'-P-C4' energy: -33.866
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -54.809
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: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -637.804281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.804281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.804281 (E_RNA)
where:
Base-Base interactions energy: -445.957
where: short stacking energy: -190.752
Base-Backbone interact. energy: -0.201
local terms energy: -191.646533
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -36.931
flat angles C4'-P-C4' energy: -41.210
flat angles P-C4'-P energy: -27.168
tors. eta vs tors. theta energy: -54.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -566.245324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.245324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.245324 (E_RNA)
where:
Base-Base interactions energy: -381.862
where: short stacking energy: -159.295
Base-Backbone interact. energy: -0.858
local terms energy: -183.525512
where:
bonds (distance) C4'-P energy: -30.902
bonds (distance) P-C4' energy: -40.256
flat angles C4'-P-C4' energy: -34.938
flat angles P-C4'-P energy: -30.583
tors. eta vs tors. theta energy: -46.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -514.800517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.800517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.800517 (E_RNA)
where:
Base-Base interactions energy: -337.006
where: short stacking energy: -157.110
Base-Backbone interact. energy: 0.620
local terms energy: -178.414451
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -36.271
flat angles C4'-P-C4' energy: -38.787
flat angles P-C4'-P energy: -27.213
tors. eta vs tors. theta energy: -46.897
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: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -495.971638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.971638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.971638 (E_RNA)
where:
Base-Base interactions energy: -319.205
where: short stacking energy: -152.381
Base-Backbone interact. energy: -1.482
local terms energy: -175.285149
where:
bonds (distance) C4'-P energy: -30.757
bonds (distance) P-C4' energy: -32.833
flat angles C4'-P-C4' energy: -42.044
flat angles P-C4'-P energy: -25.637
tors. eta vs tors. theta energy: -44.015
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: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -371.242149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.242149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.242149 (E_RNA)
where:
Base-Base interactions energy: -221.876
where: short stacking energy: -100.506
Base-Backbone interact. energy: 0.887
local terms energy: -150.253375
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -35.154
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -24.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -298.236015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.236015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.236015 (E_RNA)
where:
Base-Base interactions energy: -155.916
where: short stacking energy: -82.773
Base-Backbone interact. energy: 0.071
local terms energy: -142.391288
where:
bonds (distance) C4'-P energy: -38.223
bonds (distance) P-C4' energy: -29.134
flat angles C4'-P-C4' energy: -36.863
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -17.970
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: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -190.077942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.077942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.077942 (E_RNA)
where:
Base-Base interactions energy: -58.717
where: short stacking energy: -50.276
Base-Backbone interact. energy: -1.058
local terms energy: -130.303418
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -38.862
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -172.673071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.673071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.673071 (E_RNA)
where:
Base-Base interactions energy: -58.972
where: short stacking energy: -55.273
Base-Backbone interact. energy: -0.544
local terms energy: -113.157432
where:
bonds (distance) C4'-P energy: -33.645
bonds (distance) P-C4' energy: -33.891
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: 0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -690.417173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.417173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.417173 (E_RNA)
where:
Base-Base interactions energy: -466.425
where: short stacking energy: -188.186
Base-Backbone interact. energy: -4.153
local terms energy: -219.838237
where:
bonds (distance) C4'-P energy: -42.018
bonds (distance) P-C4' energy: -41.769
flat angles C4'-P-C4' energy: -45.960
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: -61.744
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: 205
Temperature: 0.950000
Total energy: -660.421162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.421162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.421162 (E_RNA)
where:
Base-Base interactions energy: -469.749
where: short stacking energy: -182.861
Base-Backbone interact. energy: -1.125
local terms energy: -189.547204
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -39.185
flat angles C4'-P-C4' energy: -41.736
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -51.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -648.558272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.558272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.558272 (E_RNA)
where:
Base-Base interactions energy: -443.981
where: short stacking energy: -175.120
Base-Backbone interact. energy: -0.268
local terms energy: -204.308591
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -41.494
flat angles C4'-P-C4' energy: -41.311
flat angles P-C4'-P energy: -27.148
tors. eta vs tors. theta energy: -53.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -579.181673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.181673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.181673 (E_RNA)
where:
Base-Base interactions energy: -383.443
where: short stacking energy: -156.614
Base-Backbone interact. energy: -1.284
local terms energy: -194.454664
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -37.406
flat angles C4'-P-C4' energy: -43.731
flat angles P-C4'-P energy: -25.556
tors. eta vs tors. theta energy: -54.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -512.667300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.667300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.667300 (E_RNA)
where:
Base-Base interactions energy: -329.811
where: short stacking energy: -152.745
Base-Backbone interact. energy: -0.125
local terms energy: -182.730479
where:
bonds (distance) C4'-P energy: -36.395
bonds (distance) P-C4' energy: -38.181
flat angles C4'-P-C4' energy: -36.346
flat angles P-C4'-P energy: -30.032
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: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -511.217134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.217134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.217134 (E_RNA)
where:
Base-Base interactions energy: -328.076
where: short stacking energy: -154.800
Base-Backbone interact. energy: -1.646
local terms energy: -181.494817
where:
bonds (distance) C4'-P energy: -41.064
bonds (distance) P-C4' energy: -39.008
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: -41.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -364.023549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.023549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.023549 (E_RNA)
where:
Base-Base interactions energy: -217.306
where: short stacking energy: -111.045
Base-Backbone interact. energy: -0.591
local terms energy: -146.126366
where:
bonds (distance) C4'-P energy: -34.133
bonds (distance) P-C4' energy: -33.586
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -280.123232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.123232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.123232 (E_RNA)
where:
Base-Base interactions energy: -143.589
where: short stacking energy: -81.909
Base-Backbone interact. energy: -0.223
local terms energy: -136.311503
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -28.725
tors. eta vs tors. theta energy: -9.575
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: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -177.339431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.339431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.339431 (E_RNA)
where:
Base-Base interactions energy: -58.020
where: short stacking energy: -48.825
Base-Backbone interact. energy: -0.581
local terms energy: -118.738464
where:
bonds (distance) C4'-P energy: -38.696
bonds (distance) P-C4' energy: -38.826
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -0.376
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: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -192.580858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.580858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.580858 (E_RNA)
where:
Base-Base interactions energy: -77.286
where: short stacking energy: -52.517
Base-Backbone interact. energy: -0.015
local terms energy: -115.279794
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -15.075
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: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -683.737786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.737786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.737786 (E_RNA)
where:
Base-Base interactions energy: -469.925
where: short stacking energy: -197.847
Base-Backbone interact. energy: 1.548
local terms energy: -215.361467
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -44.054
flat angles C4'-P-C4' energy: -44.752
flat angles P-C4'-P energy: -30.649
tors. eta vs tors. theta energy: -59.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -653.939187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.939187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.939187 (E_RNA)
where:
Base-Base interactions energy: -459.629
where: short stacking energy: -174.257
Base-Backbone interact. energy: -1.424
local terms energy: -192.885801
where:
bonds (distance) C4'-P energy: -32.261
bonds (distance) P-C4' energy: -41.333
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: -53.266
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: 206
Temperature: 1.000000
Total energy: -651.839916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.839916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.839916 (E_RNA)
where:
Base-Base interactions energy: -451.264
where: short stacking energy: -179.923
Base-Backbone interact. energy: -1.017
local terms energy: -199.559303
where:
bonds (distance) C4'-P energy: -29.478
bonds (distance) P-C4' energy: -41.052
flat angles C4'-P-C4' energy: -49.175
flat angles P-C4'-P energy: -26.129
tors. eta vs tors. theta energy: -53.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -585.179999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.179999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.179999 (E_RNA)
where:
Base-Base interactions energy: -399.249
where: short stacking energy: -166.528
Base-Backbone interact. energy: 1.159
local terms energy: -187.090227
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -41.296
flat angles C4'-P-C4' energy: -43.786
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -41.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -503.911140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.911140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.911140 (E_RNA)
where:
Base-Base interactions energy: -318.034
where: short stacking energy: -152.286
Base-Backbone interact. energy: -0.332
local terms energy: -185.544983
where:
bonds (distance) C4'-P energy: -35.027
bonds (distance) P-C4' energy: -37.030
flat angles C4'-P-C4' energy: -34.238
flat angles P-C4'-P energy: -30.655
tors. eta vs tors. theta energy: -48.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -525.964329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.964329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.964329 (E_RNA)
where:
Base-Base interactions energy: -339.644
where: short stacking energy: -151.451
Base-Backbone interact. energy: -0.137
local terms energy: -186.183422
where:
bonds (distance) C4'-P energy: -38.210
bonds (distance) P-C4' energy: -40.139
flat angles C4'-P-C4' energy: -41.799
flat angles P-C4'-P energy: -26.785
tors. eta vs tors. theta energy: -39.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -354.290166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.290166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.290166 (E_RNA)
where:
Base-Base interactions energy: -210.715
where: short stacking energy: -91.396
Base-Backbone interact. energy: 0.926
local terms energy: -144.501628
where:
bonds (distance) C4'-P energy: -33.572
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -32.734
flat angles P-C4'-P energy: -22.557
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -301.150417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.150417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.150417 (E_RNA)
where:
Base-Base interactions energy: -154.139
where: short stacking energy: -78.039
Base-Backbone interact. energy: -0.817
local terms energy: -146.195261
where:
bonds (distance) C4'-P energy: -37.661
bonds (distance) P-C4' energy: -36.752
flat angles C4'-P-C4' energy: -40.580
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -10.958
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: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -202.452148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.452148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.452148 (E_RNA)
where:
Base-Base interactions energy: -93.707
where: short stacking energy: -48.310
Base-Backbone interact. energy: -0.683
local terms energy: -108.061582
where:
bonds (distance) C4'-P energy: -25.652
bonds (distance) P-C4' energy: -36.415
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: 7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -172.128664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.128664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.128664 (E_RNA)
where:
Base-Base interactions energy: -53.930
where: short stacking energy: -34.828
Base-Backbone interact. energy: 1.659
local terms energy: -119.857910
where:
bonds (distance) C4'-P energy: -33.924
bonds (distance) P-C4' energy: -44.180
flat angles C4'-P-C4' energy: -34.893
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: 10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -690.914349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.914349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.914349 (E_RNA)
where:
Base-Base interactions energy: -473.580
where: short stacking energy: -197.795
Base-Backbone interact. energy: -0.967
local terms energy: -216.367848
where:
bonds (distance) C4'-P energy: -38.974
bonds (distance) P-C4' energy: -42.798
flat angles C4'-P-C4' energy: -45.029
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -61.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -656.676990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.676990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.676990 (E_RNA)
where:
Base-Base interactions energy: -449.115
where: short stacking energy: -191.576
Base-Backbone interact. energy: -0.627
local terms energy: -206.935077
where:
bonds (distance) C4'-P energy: -36.333
bonds (distance) P-C4' energy: -41.325
flat angles C4'-P-C4' energy: -39.293
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -62.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -647.313680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.313680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.313680 (E_RNA)
where:
Base-Base interactions energy: -458.764
where: short stacking energy: -172.059
Base-Backbone interact. energy: -0.243
local terms energy: -188.307087
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -36.065
flat angles C4'-P-C4' energy: -44.340
flat angles P-C4'-P energy: -24.463
tors. eta vs tors. theta energy: -43.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -589.296726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.296726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.296726 (E_RNA)
where:
Base-Base interactions energy: -390.362
where: short stacking energy: -169.781
Base-Backbone interact. energy: -0.582
local terms energy: -198.352601
where:
bonds (distance) C4'-P energy: -42.866
bonds (distance) P-C4' energy: -37.636
flat angles C4'-P-C4' energy: -42.534
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -49.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -528.642977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.642977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.642977 (E_RNA)
where:
Base-Base interactions energy: -333.518
where: short stacking energy: -162.904
Base-Backbone interact. energy: -0.836
local terms energy: -194.289011
where:
bonds (distance) C4'-P energy: -35.132
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -37.710
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -55.997
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: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -497.368519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.368519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.368519 (E_RNA)
where:
Base-Base interactions energy: -323.609
where: short stacking energy: -143.740
Base-Backbone interact. energy: -0.192
local terms energy: -173.567108
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -41.240
flat angles C4'-P-C4' energy: -41.424
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -38.998
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: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -368.713006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.713006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.713006 (E_RNA)
where:
Base-Base interactions energy: -211.845
where: short stacking energy: -102.362
Base-Backbone interact. energy: -1.296
local terms energy: -155.572574
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -37.559
flat angles C4'-P-C4' energy: -41.084
flat angles P-C4'-P energy: -26.397
tors. eta vs tors. theta energy: -24.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -303.339194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.339194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.339194 (E_RNA)
where:
Base-Base interactions energy: -160.484
where: short stacking energy: -80.846
Base-Backbone interact. energy: 2.351
local terms energy: -145.206427
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -38.891
flat angles C4'-P-C4' energy: -39.722
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -190.635814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.635814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.635814 (E_RNA)
where:
Base-Base interactions energy: -77.941
where: short stacking energy: -63.990
Base-Backbone interact. energy: -1.283
local terms energy: -111.412211
where:
bonds (distance) C4'-P energy: -37.289
bonds (distance) P-C4' energy: -37.469
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -5.008
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: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -177.711661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.711661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.711661 (E_RNA)
where:
Base-Base interactions energy: -73.308
where: short stacking energy: -56.303
Base-Backbone interact. energy: 1.072
local terms energy: -105.474876
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -38.235
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -677.417648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.417648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.417648 (E_RNA)
where:
Base-Base interactions energy: -458.238
where: short stacking energy: -194.328
Base-Backbone interact. energy: -1.747
local terms energy: -217.432373
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -44.997
flat angles C4'-P-C4' energy: -43.270
flat angles P-C4'-P energy: -29.503
tors. eta vs tors. theta energy: -59.392
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: 208
Temperature: 0.950000
Total energy: -658.919705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.919705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.919705 (E_RNA)
where:
Base-Base interactions energy: -455.949
where: short stacking energy: -191.601
Base-Backbone interact. energy: 0.619
local terms energy: -203.589303
where:
bonds (distance) C4'-P energy: -38.554
bonds (distance) P-C4' energy: -34.028
flat angles C4'-P-C4' energy: -45.125
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -57.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -661.696031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.696031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.696031 (E_RNA)
where:
Base-Base interactions energy: -472.339
where: short stacking energy: -174.394
Base-Backbone interact. energy: -1.127
local terms energy: -188.229993
where:
bonds (distance) C4'-P energy: -38.920
bonds (distance) P-C4' energy: -32.991
flat angles C4'-P-C4' energy: -40.016
flat angles P-C4'-P energy: -29.641
tors. eta vs tors. theta energy: -46.662
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: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -595.526765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.526765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.526765 (E_RNA)
where:
Base-Base interactions energy: -397.580
where: short stacking energy: -160.380
Base-Backbone interact. energy: -0.361
local terms energy: -197.585725
where:
bonds (distance) C4'-P energy: -40.356
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -44.663
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -513.412788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.412788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.412788 (E_RNA)
where:
Base-Base interactions energy: -335.067
where: short stacking energy: -161.938
Base-Backbone interact. energy: -0.295
local terms energy: -178.050132
where:
bonds (distance) C4'-P energy: -31.638
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -39.655
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -47.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -514.360323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.360323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.360323 (E_RNA)
where:
Base-Base interactions energy: -344.985
where: short stacking energy: -150.106
Base-Backbone interact. energy: -0.615
local terms energy: -168.760412
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -42.600
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: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -336.951168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.951168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.951168 (E_RNA)
where:
Base-Base interactions energy: -187.355
where: short stacking energy: -101.180
Base-Backbone interact. energy: -0.768
local terms energy: -148.828357
where:
bonds (distance) C4'-P energy: -32.542
bonds (distance) P-C4' energy: -40.917
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -30.914
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -339.132072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.132072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.132072 (E_RNA)
where:
Base-Base interactions energy: -212.203
where: short stacking energy: -81.761
Base-Backbone interact. energy: -0.720
local terms energy: -126.208598
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -35.883
flat angles C4'-P-C4' energy: -33.388
flat angles P-C4'-P energy: -22.700
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -290.675101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.675101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.675101 (E_RNA)
where:
Base-Base interactions energy: -174.283
where: short stacking energy: -92.603
Base-Backbone interact. energy: -0.348
local terms energy: -116.044238
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -35.437
flat angles C4'-P-C4' energy: -28.365
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -165.117502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.117502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.117502 (E_RNA)
where:
Base-Base interactions energy: -61.928
where: short stacking energy: -61.247
Base-Backbone interact. energy: 0.462
local terms energy: -103.651567
where:
bonds (distance) C4'-P energy: -36.196
bonds (distance) P-C4' energy: -30.794
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: 0.666
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: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -679.772133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.772133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.772133 (E_RNA)
where:
Base-Base interactions energy: -476.966
where: short stacking energy: -192.832
Base-Backbone interact. energy: -0.115
local terms energy: -202.690464
where:
bonds (distance) C4'-P energy: -38.775
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -36.054
flat angles P-C4'-P energy: -29.937
tors. eta vs tors. theta energy: -53.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -667.444279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.444279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.444279 (E_RNA)
where:
Base-Base interactions energy: -467.906
where: short stacking energy: -178.550
Base-Backbone interact. energy: -1.874
local terms energy: -197.664155
where:
bonds (distance) C4'-P energy: -41.666
bonds (distance) P-C4' energy: -38.951
flat angles C4'-P-C4' energy: -43.326
flat angles P-C4'-P energy: -21.937
tors. eta vs tors. theta energy: -51.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -653.306606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.306606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.306606 (E_RNA)
where:
Base-Base interactions energy: -452.437
where: short stacking energy: -180.505
Base-Backbone interact. energy: -1.430
local terms energy: -199.439359
where:
bonds (distance) C4'-P energy: -38.970
bonds (distance) P-C4' energy: -32.184
flat angles C4'-P-C4' energy: -49.223
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -56.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -591.681504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.681504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.681504 (E_RNA)
where:
Base-Base interactions energy: -400.891
where: short stacking energy: -182.092
Base-Backbone interact. energy: 0.338
local terms energy: -191.128171
where:
bonds (distance) C4'-P energy: -37.169
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -39.661
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -49.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -521.169032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.169032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.169032 (E_RNA)
where:
Base-Base interactions energy: -330.059
where: short stacking energy: -162.281
Base-Backbone interact. energy: -2.038
local terms energy: -189.072367
where:
bonds (distance) C4'-P energy: -43.078
bonds (distance) P-C4' energy: -32.311
flat angles C4'-P-C4' energy: -35.382
flat angles P-C4'-P energy: -25.933
tors. eta vs tors. theta energy: -52.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -529.083334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.083334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.083334 (E_RNA)
where:
Base-Base interactions energy: -358.496
where: short stacking energy: -160.841
Base-Backbone interact. energy: 2.896
local terms energy: -173.483497
where:
bonds (distance) C4'-P energy: -35.845
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -40.661
flat angles P-C4'-P energy: -26.989
tors. eta vs tors. theta energy: -41.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -306.514933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.514933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.514933 (E_RNA)
where:
Base-Base interactions energy: -170.527
where: short stacking energy: -89.028
Base-Backbone interact. energy: -1.242
local terms energy: -134.745599
where:
bonds (distance) C4'-P energy: -35.818
bonds (distance) P-C4' energy: -37.470
flat angles C4'-P-C4' energy: -33.296
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -307.713243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.713243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.713243 (E_RNA)
where:
Base-Base interactions energy: -163.626
where: short stacking energy: -86.757
Base-Backbone interact. energy: 0.452
local terms energy: -144.539037
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -37.967
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -320.817289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.817289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.817289 (E_RNA)
where:
Base-Base interactions energy: -189.663
where: short stacking energy: -83.274
Base-Backbone interact. energy: 4.099
local terms energy: -135.253891
where:
bonds (distance) C4'-P energy: -37.513
bonds (distance) P-C4' energy: -29.343
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -180.848584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.848584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.848584 (E_RNA)
where:
Base-Base interactions energy: -65.661
where: short stacking energy: -57.181
Base-Backbone interact. energy: 1.027
local terms energy: -116.214522
where:
bonds (distance) C4'-P energy: -29.308
bonds (distance) P-C4' energy: -33.224
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -683.091459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.091459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.091459 (E_RNA)
where:
Base-Base interactions energy: -461.798
where: short stacking energy: -191.342
Base-Backbone interact. energy: 0.197
local terms energy: -221.489626
where:
bonds (distance) C4'-P energy: -39.917
bonds (distance) P-C4' energy: -43.688
flat angles C4'-P-C4' energy: -45.298
flat angles P-C4'-P energy: -32.277
tors. eta vs tors. theta energy: -60.310
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: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -656.811620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.811620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.811620 (E_RNA)
where:
Base-Base interactions energy: -467.803
where: short stacking energy: -175.780
Base-Backbone interact. energy: 0.212
local terms energy: -189.220206
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -40.458
flat angles C4'-P-C4' energy: -39.299
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -52.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -662.317294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.317294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.317294 (E_RNA)
where:
Base-Base interactions energy: -464.885
where: short stacking energy: -188.166
Base-Backbone interact. energy: 2.611
local terms energy: -200.043559
where:
bonds (distance) C4'-P energy: -33.543
bonds (distance) P-C4' energy: -30.884
flat angles C4'-P-C4' energy: -42.252
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -59.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -567.644858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.644858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.644858 (E_RNA)
where:
Base-Base interactions energy: -378.942
where: short stacking energy: -156.266
Base-Backbone interact. energy: -0.727
local terms energy: -187.975403
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -42.945
flat angles C4'-P-C4' energy: -41.022
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -46.915
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: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -528.574138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.574138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.574138 (E_RNA)
where:
Base-Base interactions energy: -328.676
where: short stacking energy: -174.069
Base-Backbone interact. energy: -0.804
local terms energy: -199.094540
where:
bonds (distance) C4'-P energy: -38.543
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -40.364
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -52.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -538.665392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.665392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.665392 (E_RNA)
where:
Base-Base interactions energy: -365.262
where: short stacking energy: -163.310
Base-Backbone interact. energy: -1.310
local terms energy: -172.093275
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -40.903
flat angles C4'-P-C4' energy: -36.722
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -43.918
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: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -321.715362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.715362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.715362 (E_RNA)
where:
Base-Base interactions energy: -162.159
where: short stacking energy: -88.738
Base-Backbone interact. energy: -0.774
local terms energy: -158.781559
where:
bonds (distance) C4'-P energy: -38.019
bonds (distance) P-C4' energy: -39.958
flat angles C4'-P-C4' energy: -36.096
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -290.385066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.385066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.385066 (E_RNA)
where:
Base-Base interactions energy: -160.178
where: short stacking energy: -95.183
Base-Backbone interact. energy: -0.875
local terms energy: -129.332082
where:
bonds (distance) C4'-P energy: -33.911
bonds (distance) P-C4' energy: -38.119
flat angles C4'-P-C4' energy: -32.659
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -328.262886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.262886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.262886 (E_RNA)
where:
Base-Base interactions energy: -193.708
where: short stacking energy: -91.863
Base-Backbone interact. energy: 0.051
local terms energy: -134.606633
where:
bonds (distance) C4'-P energy: -31.410
bonds (distance) P-C4' energy: -26.764
flat angles C4'-P-C4' energy: -34.573
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -167.402462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.402462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.402462 (E_RNA)
where:
Base-Base interactions energy: -63.499
where: short stacking energy: -39.890
Base-Backbone interact. energy: 1.319
local terms energy: -105.222523
where:
bonds (distance) C4'-P energy: -36.132
bonds (distance) P-C4' energy: -37.038
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: 5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -669.303453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.303453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.303453 (E_RNA)
where:
Base-Base interactions energy: -455.529
where: short stacking energy: -184.494
Base-Backbone interact. energy: -0.442
local terms energy: -213.332193
where:
bonds (distance) C4'-P energy: -38.001
bonds (distance) P-C4' energy: -44.281
flat angles C4'-P-C4' energy: -44.415
flat angles P-C4'-P energy: -30.292
tors. eta vs tors. theta energy: -56.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -664.689671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.689671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.689671 (E_RNA)
where:
Base-Base interactions energy: -473.844
where: short stacking energy: -174.830
Base-Backbone interact. energy: -0.905
local terms energy: -189.941126
where:
bonds (distance) C4'-P energy: -38.794
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -44.697
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -51.425
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: 211
Temperature: 1.000000
Total energy: -649.166227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.166227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.166227 (E_RNA)
where:
Base-Base interactions energy: -434.818
where: short stacking energy: -163.265
Base-Backbone interact. energy: -1.186
local terms energy: -213.161643
where:
bonds (distance) C4'-P energy: -46.444
bonds (distance) P-C4' energy: -39.552
flat angles C4'-P-C4' energy: -44.456
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: -50.214
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: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -554.746045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.746045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.746045 (E_RNA)
where:
Base-Base interactions energy: -344.784
where: short stacking energy: -173.998
Base-Backbone interact. energy: -0.777
local terms energy: -209.184940
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -46.814
flat angles C4'-P-C4' energy: -40.117
flat angles P-C4'-P energy: -24.220
tors. eta vs tors. theta energy: -54.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -564.597908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.597908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.597908 (E_RNA)
where:
Base-Base interactions energy: -374.077
where: short stacking energy: -168.969
Base-Backbone interact. energy: -0.083
local terms energy: -190.437217
where:
bonds (distance) C4'-P energy: -41.759
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -56.384
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: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -553.578282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.578282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.578282 (E_RNA)
where:
Base-Base interactions energy: -348.102
where: short stacking energy: -173.920
Base-Backbone interact. energy: 0.099
local terms energy: -205.575450
where:
bonds (distance) C4'-P energy: -38.944
bonds (distance) P-C4' energy: -38.153
flat angles C4'-P-C4' energy: -39.619
flat angles P-C4'-P energy: -28.979
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: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -342.281386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.281386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.281386 (E_RNA)
where:
Base-Base interactions energy: -194.210
where: short stacking energy: -96.591
Base-Backbone interact. energy: 0.014
local terms energy: -148.085427
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -323.776489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.776489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.776489 (E_RNA)
where:
Base-Base interactions energy: -190.624
where: short stacking energy: -90.591
Base-Backbone interact. energy: 1.207
local terms energy: -134.358941
where:
bonds (distance) C4'-P energy: -31.555
bonds (distance) P-C4' energy: -43.788
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -21.744
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: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -263.194382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.194382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.194382 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -85.363
Base-Backbone interact. energy: 0.184
local terms energy: -117.870777
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -40.271
flat angles C4'-P-C4' energy: -30.140
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -182.291022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.291022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.291022 (E_RNA)
where:
Base-Base interactions energy: -73.662
where: short stacking energy: -56.469
Base-Backbone interact. energy: 0.000
local terms energy: -108.628769
where:
bonds (distance) C4'-P energy: -32.049
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -42.909
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: 4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -690.144563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.144563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.144563 (E_RNA)
where:
Base-Base interactions energy: -477.387
where: short stacking energy: -194.333
Base-Backbone interact. energy: -0.627
local terms energy: -212.130494
where:
bonds (distance) C4'-P energy: -43.782
bonds (distance) P-C4' energy: -38.646
flat angles C4'-P-C4' energy: -42.446
flat angles P-C4'-P energy: -33.375
tors. eta vs tors. theta energy: -53.881
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: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -658.225078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.225078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.225078 (E_RNA)
where:
Base-Base interactions energy: -455.184
where: short stacking energy: -181.969
Base-Backbone interact. energy: -0.079
local terms energy: -202.961906
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -36.705
flat angles C4'-P-C4' energy: -47.642
flat angles P-C4'-P energy: -28.634
tors. eta vs tors. theta energy: -54.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -659.161212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.161212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.161212 (E_RNA)
where:
Base-Base interactions energy: -470.932
where: short stacking energy: -179.927
Base-Backbone interact. energy: -0.739
local terms energy: -187.490118
where:
bonds (distance) C4'-P energy: -40.533
bonds (distance) P-C4' energy: -35.052
flat angles C4'-P-C4' energy: -37.411
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -55.373
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: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -544.101263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.101263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.101263 (E_RNA)
where:
Base-Base interactions energy: -355.472
where: short stacking energy: -172.374
Base-Backbone interact. energy: 0.783
local terms energy: -189.411972
where:
bonds (distance) C4'-P energy: -38.355
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -38.204
flat angles P-C4'-P energy: -26.124
tors. eta vs tors. theta energy: -52.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -532.163407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.163407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.163407 (E_RNA)
where:
Base-Base interactions energy: -347.774
where: short stacking energy: -159.353
Base-Backbone interact. energy: -0.592
local terms energy: -183.797073
where:
bonds (distance) C4'-P energy: -35.931
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -40.277
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -42.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -525.940455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.940455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.940455 (E_RNA)
where:
Base-Base interactions energy: -346.053
where: short stacking energy: -144.396
Base-Backbone interact. energy: -0.279
local terms energy: -179.607808
where:
bonds (distance) C4'-P energy: -34.948
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: -43.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -350.692981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.692981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.692981 (E_RNA)
where:
Base-Base interactions energy: -202.602
where: short stacking energy: -98.586
Base-Backbone interact. energy: -1.056
local terms energy: -147.034760
where:
bonds (distance) C4'-P energy: -32.558
bonds (distance) P-C4' energy: -28.933
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -25.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -337.271192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.271192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.271192 (E_RNA)
where:
Base-Base interactions energy: -195.462
where: short stacking energy: -93.217
Base-Backbone interact. energy: -0.364
local terms energy: -141.445634
where:
bonds (distance) C4'-P energy: -37.536
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -27.185
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -11.391
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: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -271.841497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.841497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.841497 (E_RNA)
where:
Base-Base interactions energy: -150.071
where: short stacking energy: -87.114
Base-Backbone interact. energy: -0.692
local terms energy: -121.078117
where:
bonds (distance) C4'-P energy: -30.545
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -29.600
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -185.871038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.871038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.871038 (E_RNA)
where:
Base-Base interactions energy: -84.879
where: short stacking energy: -71.092
Base-Backbone interact. energy: 1.952
local terms energy: -102.944397
where:
bonds (distance) C4'-P energy: -23.991
bonds (distance) P-C4' energy: -31.758
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -668.032604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.032604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.032604 (E_RNA)
where:
Base-Base interactions energy: -444.710
where: short stacking energy: -187.430
Base-Backbone interact. energy: -1.726
local terms energy: -221.595990
where:
bonds (distance) C4'-P energy: -46.971
bonds (distance) P-C4' energy: -39.749
flat angles C4'-P-C4' energy: -50.972
flat angles P-C4'-P energy: -24.612
tors. eta vs tors. theta energy: -59.291
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: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -669.244061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.244061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.244061 (E_RNA)
where:
Base-Base interactions energy: -469.956
where: short stacking energy: -179.506
Base-Backbone interact. energy: -0.793
local terms energy: -198.495025
where:
bonds (distance) C4'-P energy: -37.194
bonds (distance) P-C4' energy: -38.286
flat angles C4'-P-C4' energy: -39.528
flat angles P-C4'-P energy: -29.210
tors. eta vs tors. theta energy: -54.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -654.885854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.885854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.885854 (E_RNA)
where:
Base-Base interactions energy: -453.407
where: short stacking energy: -184.793
Base-Backbone interact. energy: -0.088
local terms energy: -201.390772
where:
bonds (distance) C4'-P energy: -35.681
bonds (distance) P-C4' energy: -41.226
flat angles C4'-P-C4' energy: -39.634
flat angles P-C4'-P energy: -28.586
tors. eta vs tors. theta energy: -56.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -547.797077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.797077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.797077 (E_RNA)
where:
Base-Base interactions energy: -354.227
where: short stacking energy: -181.524
Base-Backbone interact. energy: 0.007
local terms energy: -193.576815
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -47.285
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -50.531
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: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -557.455872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.455872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.455872 (E_RNA)
where:
Base-Base interactions energy: -367.654
where: short stacking energy: -154.269
Base-Backbone interact. energy: -0.352
local terms energy: -189.449445
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -42.064
flat angles C4'-P-C4' energy: -42.363
flat angles P-C4'-P energy: -28.520
tors. eta vs tors. theta energy: -46.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -510.365063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.365063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.365063 (E_RNA)
where:
Base-Base interactions energy: -344.139
where: short stacking energy: -152.247
Base-Backbone interact. energy: -0.915
local terms energy: -165.310885
where:
bonds (distance) C4'-P energy: -26.559
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -46.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -354.619177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.619177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.619177 (E_RNA)
where:
Base-Base interactions energy: -205.465
where: short stacking energy: -119.465
Base-Backbone interact. energy: 0.020
local terms energy: -149.174765
where:
bonds (distance) C4'-P energy: -33.080
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -332.438365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.438365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.438365 (E_RNA)
where:
Base-Base interactions energy: -181.624
where: short stacking energy: -90.693
Base-Backbone interact. energy: 3.094
local terms energy: -153.907910
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -39.676
flat angles C4'-P-C4' energy: -38.402
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -16.752
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: 213
Temperature: 1.300000
Total energy: -284.000565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.000565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.000565 (E_RNA)
where:
Base-Base interactions energy: -151.535
where: short stacking energy: -78.166
Base-Backbone interact. energy: -0.232
local terms energy: -132.233507
where:
bonds (distance) C4'-P energy: -36.171
bonds (distance) P-C4' energy: -33.912
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -189.011097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011097 (E_RNA)
where:
Base-Base interactions energy: -51.696
where: short stacking energy: -51.696
Base-Backbone interact. energy: 0.904
local terms energy: -138.219576
where:
bonds (distance) C4'-P energy: -41.216
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -28.290
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -672.030354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.030354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.030354 (E_RNA)
where:
Base-Base interactions energy: -464.219
where: short stacking energy: -170.907
Base-Backbone interact. energy: -0.626
local terms energy: -207.185229
where:
bonds (distance) C4'-P energy: -39.343
bonds (distance) P-C4' energy: -43.053
flat angles C4'-P-C4' energy: -42.649
flat angles P-C4'-P energy: -33.063
tors. eta vs tors. theta energy: -49.077
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: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -676.545621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.545621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.545621 (E_RNA)
where:
Base-Base interactions energy: -474.612
where: short stacking energy: -197.186
Base-Backbone interact. energy: 1.584
local terms energy: -203.518032
where:
bonds (distance) C4'-P energy: -36.685
bonds (distance) P-C4' energy: -33.988
flat angles C4'-P-C4' energy: -43.531
flat angles P-C4'-P energy: -31.849
tors. eta vs tors. theta energy: -57.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -647.220079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.220079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.220079 (E_RNA)
where:
Base-Base interactions energy: -448.750
where: short stacking energy: -181.071
Base-Backbone interact. energy: 0.449
local terms energy: -198.919095
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -40.405
flat angles C4'-P-C4' energy: -45.031
flat angles P-C4'-P energy: -32.365
tors. eta vs tors. theta energy: -53.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -557.681747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.681747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.681747 (E_RNA)
where:
Base-Base interactions energy: -376.779
where: short stacking energy: -181.248
Base-Backbone interact. energy: 2.038
local terms energy: -182.941236
where:
bonds (distance) C4'-P energy: -34.080
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -25.766
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: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -563.748542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.748542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.748542 (E_RNA)
where:
Base-Base interactions energy: -372.962
where: short stacking energy: -172.184
Base-Backbone interact. energy: -0.754
local terms energy: -190.032539
where:
bonds (distance) C4'-P energy: -40.518
bonds (distance) P-C4' energy: -33.470
flat angles C4'-P-C4' energy: -38.475
flat angles P-C4'-P energy: -27.868
tors. eta vs tors. theta energy: -49.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -528.177993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.177993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.177993 (E_RNA)
where:
Base-Base interactions energy: -345.324
where: short stacking energy: -152.183
Base-Backbone interact. energy: -1.751
local terms energy: -181.103417
where:
bonds (distance) C4'-P energy: -40.978
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -41.595
flat angles P-C4'-P energy: -21.451
tors. eta vs tors. theta energy: -43.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -363.306449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.306449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.306449 (E_RNA)
where:
Base-Base interactions energy: -218.720
where: short stacking energy: -97.351
Base-Backbone interact. energy: -2.406
local terms energy: -142.180222
where:
bonds (distance) C4'-P energy: -36.446
bonds (distance) P-C4' energy: -33.726
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -326.147920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.147920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.147920 (E_RNA)
where:
Base-Base interactions energy: -189.918
where: short stacking energy: -91.478
Base-Backbone interact. energy: -1.833
local terms energy: -134.396549
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -39.116
flat angles C4'-P-C4' energy: -41.299
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -272.303202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.303202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.303202 (E_RNA)
where:
Base-Base interactions energy: -152.173
where: short stacking energy: -84.881
Base-Backbone interact. energy: -0.150
local terms energy: -119.980222
where:
bonds (distance) C4'-P energy: -33.331
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -171.566533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.566533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.566533 (E_RNA)
where:
Base-Base interactions energy: -53.756
where: short stacking energy: -45.209
Base-Backbone interact. energy: 1.030
local terms energy: -118.840592
where:
bonds (distance) C4'-P energy: -30.387
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -668.535191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.535191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.535191 (E_RNA)
where:
Base-Base interactions energy: -480.525
where: short stacking energy: -172.910
Base-Backbone interact. energy: -2.813
local terms energy: -185.197070
where:
bonds (distance) C4'-P energy: -35.585
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -43.666
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -50.711
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: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -674.284633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.284633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.284633 (E_RNA)
where:
Base-Base interactions energy: -457.657
where: short stacking energy: -185.860
Base-Backbone interact. energy: -0.590
local terms energy: -216.038254
where:
bonds (distance) C4'-P energy: -43.459
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -43.473
flat angles P-C4'-P energy: -28.323
tors. eta vs tors. theta energy: -62.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -650.493999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.493999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.493999 (E_RNA)
where:
Base-Base interactions energy: -452.749
where: short stacking energy: -179.542
Base-Backbone interact. energy: 0.293
local terms energy: -198.037513
where:
bonds (distance) C4'-P energy: -37.311
bonds (distance) P-C4' energy: -33.745
flat angles C4'-P-C4' energy: -42.566
flat angles P-C4'-P energy: -34.305
tors. eta vs tors. theta energy: -50.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -576.663624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.663624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.663624 (E_RNA)
where:
Base-Base interactions energy: -378.174
where: short stacking energy: -181.062
Base-Backbone interact. energy: -0.038
local terms energy: -198.451568
where:
bonds (distance) C4'-P energy: -36.713
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -41.804
flat angles P-C4'-P energy: -27.934
tors. eta vs tors. theta energy: -52.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -522.014145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.014145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.014145 (E_RNA)
where:
Base-Base interactions energy: -348.420
where: short stacking energy: -152.482
Base-Backbone interact. energy: -0.538
local terms energy: -173.056445
where:
bonds (distance) C4'-P energy: -33.532
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -36.777
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -44.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -557.296098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.296098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.296098 (E_RNA)
where:
Base-Base interactions energy: -391.031
where: short stacking energy: -161.004
Base-Backbone interact. energy: -1.326
local terms energy: -164.939043
where:
bonds (distance) C4'-P energy: -31.171
bonds (distance) P-C4' energy: -43.406
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -42.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -442.351588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.351588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.351588 (E_RNA)
where:
Base-Base interactions energy: -269.151
where: short stacking energy: -138.746
Base-Backbone interact. energy: 0.262
local terms energy: -173.462037
where:
bonds (distance) C4'-P energy: -39.175
bonds (distance) P-C4' energy: -38.245
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -24.734
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: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -319.925642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.925642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.925642 (E_RNA)
where:
Base-Base interactions energy: -174.985
where: short stacking energy: -94.420
Base-Backbone interact. energy: -0.016
local terms energy: -144.924884
where:
bonds (distance) C4'-P energy: -35.895
bonds (distance) P-C4' energy: -28.052
flat angles C4'-P-C4' energy: -37.807
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -265.303372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.303372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.303372 (E_RNA)
where:
Base-Base interactions energy: -140.776
where: short stacking energy: -64.645
Base-Backbone interact. energy: -0.685
local terms energy: -123.842299
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -27.810
flat angles C4'-P-C4' energy: -37.779
flat angles P-C4'-P energy: -21.184
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: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -162.343721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.343721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.343721 (E_RNA)
where:
Base-Base interactions energy: -48.435
where: short stacking energy: -31.839
Base-Backbone interact. energy: -1.684
local terms energy: -112.224840
where:
bonds (distance) C4'-P energy: -37.778
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -34.043
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: 10.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -686.043179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.043179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.043179 (E_RNA)
where:
Base-Base interactions energy: -474.636
where: short stacking energy: -187.716
Base-Backbone interact. energy: -0.794
local terms energy: -210.613944
where:
bonds (distance) C4'-P energy: -34.736
bonds (distance) P-C4' energy: -38.969
flat angles C4'-P-C4' energy: -49.741
flat angles P-C4'-P energy: -29.572
tors. eta vs tors. theta energy: -57.597
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: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -667.312152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.312152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.312152 (E_RNA)
where:
Base-Base interactions energy: -473.394
where: short stacking energy: -174.286
Base-Backbone interact. energy: -2.080
local terms energy: -191.837851
where:
bonds (distance) C4'-P energy: -38.966
bonds (distance) P-C4' energy: -34.816
flat angles C4'-P-C4' energy: -42.630
flat angles P-C4'-P energy: -23.742
tors. eta vs tors. theta energy: -51.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -637.575159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.575159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.575159 (E_RNA)
where:
Base-Base interactions energy: -438.211
where: short stacking energy: -178.981
Base-Backbone interact. energy: -1.082
local terms energy: -198.281548
where:
bonds (distance) C4'-P energy: -38.700
bonds (distance) P-C4' energy: -39.803
flat angles C4'-P-C4' energy: -43.445
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -55.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -569.888074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.888074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.888074 (E_RNA)
where:
Base-Base interactions energy: -380.640
where: short stacking energy: -164.847
Base-Backbone interact. energy: -0.754
local terms energy: -188.494214
where:
bonds (distance) C4'-P energy: -36.811
bonds (distance) P-C4' energy: -36.787
flat angles C4'-P-C4' energy: -36.749
flat angles P-C4'-P energy: -31.494
tors. eta vs tors. theta energy: -46.653
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: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -548.116195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.116195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.116195 (E_RNA)
where:
Base-Base interactions energy: -360.199
where: short stacking energy: -150.004
Base-Backbone interact. energy: -0.992
local terms energy: -186.925311
where:
bonds (distance) C4'-P energy: -36.270
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -23.299
tors. eta vs tors. theta energy: -45.266
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: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -518.481451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.481451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.481451 (E_RNA)
where:
Base-Base interactions energy: -332.093
where: short stacking energy: -158.663
Base-Backbone interact. energy: -0.485
local terms energy: -185.902860
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -41.886
flat angles C4'-P-C4' energy: -39.078
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -40.555
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: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -416.323031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.323031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.323031 (E_RNA)
where:
Base-Base interactions energy: -256.512
where: short stacking energy: -124.300
Base-Backbone interact. energy: -0.202
local terms energy: -159.608663
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -40.820
flat angles C4'-P-C4' energy: -34.401
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -30.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -313.588993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.588993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.588993 (E_RNA)
where:
Base-Base interactions energy: -177.986
where: short stacking energy: -85.908
Base-Backbone interact. energy: -0.597
local terms energy: -135.006140
where:
bonds (distance) C4'-P energy: -34.727
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -305.947374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.947374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.947374 (E_RNA)
where:
Base-Base interactions energy: -161.760
where: short stacking energy: -87.275
Base-Backbone interact. energy: 1.152
local terms energy: -145.339019
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -36.481
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -160.859076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.859076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.859076 (E_RNA)
where:
Base-Base interactions energy: -60.031
where: short stacking energy: -35.206
Base-Backbone interact. energy: -1.477
local terms energy: -99.351647
where:
bonds (distance) C4'-P energy: -35.853
bonds (distance) P-C4' energy: -36.654
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: 9.106
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: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -688.004439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.004439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.004439 (E_RNA)
where:
Base-Base interactions energy: -483.105
where: short stacking energy: -191.733
Base-Backbone interact. energy: -1.472
local terms energy: -203.427577
where:
bonds (distance) C4'-P energy: -35.104
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -45.433
flat angles P-C4'-P energy: -29.566
tors. eta vs tors. theta energy: -56.216
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: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -651.228967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.228967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.228967 (E_RNA)
where:
Base-Base interactions energy: -445.207
where: short stacking energy: -173.539
Base-Backbone interact. energy: -0.480
local terms energy: -205.542441
where:
bonds (distance) C4'-P energy: -42.248
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -42.805
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: -53.570
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: 217
Temperature: 1.000000
Total energy: -637.419209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.419209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.419209 (E_RNA)
where:
Base-Base interactions energy: -448.814
where: short stacking energy: -162.396
Base-Backbone interact. energy: -0.598
local terms energy: -188.006728
where:
bonds (distance) C4'-P energy: -41.826
bonds (distance) P-C4' energy: -40.294
flat angles C4'-P-C4' energy: -32.557
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -53.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -557.937907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.937907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.937907 (E_RNA)
where:
Base-Base interactions energy: -362.776
where: short stacking energy: -166.365
Base-Backbone interact. energy: 0.888
local terms energy: -196.050159
where:
bonds (distance) C4'-P energy: -40.358
bonds (distance) P-C4' energy: -38.590
flat angles C4'-P-C4' energy: -41.341
flat angles P-C4'-P energy: -27.155
tors. eta vs tors. theta energy: -48.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -550.196013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.196013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.196013 (E_RNA)
where:
Base-Base interactions energy: -367.242
where: short stacking energy: -160.145
Base-Backbone interact. energy: 1.811
local terms energy: -184.764872
where:
bonds (distance) C4'-P energy: -39.296
bonds (distance) P-C4' energy: -32.997
flat angles C4'-P-C4' energy: -36.842
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -52.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -503.814104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.814104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.814104 (E_RNA)
where:
Base-Base interactions energy: -324.775
where: short stacking energy: -150.389
Base-Backbone interact. energy: 0.268
local terms energy: -179.306920
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -40.745
flat angles C4'-P-C4' energy: -38.778
flat angles P-C4'-P energy: -23.251
tors. eta vs tors. theta energy: -45.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -414.416420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.416420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.416420 (E_RNA)
where:
Base-Base interactions energy: -265.181
where: short stacking energy: -130.550
Base-Backbone interact. energy: -0.597
local terms energy: -148.638190
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -38.903
flat angles C4'-P-C4' energy: -35.334
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -33.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -274.713346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.713346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.713346 (E_RNA)
where:
Base-Base interactions energy: -147.349
where: short stacking energy: -81.319
Base-Backbone interact. energy: -0.661
local terms energy: -126.703775
where:
bonds (distance) C4'-P energy: -35.363
bonds (distance) P-C4' energy: -34.189
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -20.461
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -283.231133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.231133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.231133 (E_RNA)
where:
Base-Base interactions energy: -151.059
where: short stacking energy: -78.821
Base-Backbone interact. energy: 0.824
local terms energy: -132.995500
where:
bonds (distance) C4'-P energy: -40.139
bonds (distance) P-C4' energy: -34.012
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -17.158
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: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -170.853623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.853623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.853623 (E_RNA)
where:
Base-Base interactions energy: -64.553
where: short stacking energy: -55.468
Base-Backbone interact. energy: -0.250
local terms energy: -106.050442
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -31.129
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: 6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -681.975858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.975858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.975858 (E_RNA)
where:
Base-Base interactions energy: -462.865
where: short stacking energy: -187.227
Base-Backbone interact. energy: -0.317
local terms energy: -218.794105
where:
bonds (distance) C4'-P energy: -38.137
bonds (distance) P-C4' energy: -41.677
flat angles C4'-P-C4' energy: -48.984
flat angles P-C4'-P energy: -31.051
tors. eta vs tors. theta energy: -58.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -668.044382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.044382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.044382 (E_RNA)
where:
Base-Base interactions energy: -459.921
where: short stacking energy: -190.689
Base-Backbone interact. energy: -0.524
local terms energy: -207.599566
where:
bonds (distance) C4'-P energy: -40.563
bonds (distance) P-C4' energy: -34.277
flat angles C4'-P-C4' energy: -46.668
flat angles P-C4'-P energy: -27.988
tors. eta vs tors. theta energy: -58.104
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: 218
Temperature: 1.000000
Total energy: -647.823943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.823943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.823943 (E_RNA)
where:
Base-Base interactions energy: -457.075
where: short stacking energy: -183.860
Base-Backbone interact. energy: 0.455
local terms energy: -191.203529
where:
bonds (distance) C4'-P energy: -37.350
bonds (distance) P-C4' energy: -42.757
flat angles C4'-P-C4' energy: -37.462
flat angles P-C4'-P energy: -24.390
tors. eta vs tors. theta energy: -49.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -573.791229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.791229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.791229 (E_RNA)
where:
Base-Base interactions energy: -373.488
where: short stacking energy: -174.891
Base-Backbone interact. energy: -0.398
local terms energy: -199.905244
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -34.482
flat angles C4'-P-C4' energy: -48.012
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -52.868
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: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -551.091870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.091870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.091870 (E_RNA)
where:
Base-Base interactions energy: -360.855
where: short stacking energy: -165.333
Base-Backbone interact. energy: -1.092
local terms energy: -189.145258
where:
bonds (distance) C4'-P energy: -37.328
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -38.228
flat angles P-C4'-P energy: -26.909
tors. eta vs tors. theta energy: -51.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -514.515863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.515863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.515863 (E_RNA)
where:
Base-Base interactions energy: -343.532
where: short stacking energy: -146.845
Base-Backbone interact. energy: -0.339
local terms energy: -170.644849
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -41.519
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -38.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -386.373780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.373780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.373780 (E_RNA)
where:
Base-Base interactions energy: -230.324
where: short stacking energy: -100.997
Base-Backbone interact. energy: -0.735
local terms energy: -155.314676
where:
bonds (distance) C4'-P energy: -38.758
bonds (distance) P-C4' energy: -41.425
flat angles C4'-P-C4' energy: -36.977
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -291.513278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.513278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.513278 (E_RNA)
where:
Base-Base interactions energy: -153.511
where: short stacking energy: -90.046
Base-Backbone interact. energy: -0.471
local terms energy: -137.531519
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -39.295
flat angles C4'-P-C4' energy: -41.628
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -230.401667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.401667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.401667 (E_RNA)
where:
Base-Base interactions energy: -115.440
where: short stacking energy: -69.169
Base-Backbone interact. energy: -0.976
local terms energy: -113.985740
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -31.803
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -171.574777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.574777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.574777 (E_RNA)
where:
Base-Base interactions energy: -51.802
where: short stacking energy: -26.226
Base-Backbone interact. energy: -0.617
local terms energy: -119.155406
where:
bonds (distance) C4'-P energy: -35.003
bonds (distance) P-C4' energy: -44.101
flat angles C4'-P-C4' energy: -36.455
flat angles P-C4'-P energy: -16.555
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: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -688.588281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.588281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.588281 (E_RNA)
where:
Base-Base interactions energy: -480.488
where: short stacking energy: -196.673
Base-Backbone interact. energy: 2.609
local terms energy: -210.708504
where:
bonds (distance) C4'-P energy: -36.576
bonds (distance) P-C4' energy: -34.511
flat angles C4'-P-C4' energy: -49.521
flat angles P-C4'-P energy: -29.996
tors. eta vs tors. theta energy: -60.105
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: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -654.417753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.417753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.417753 (E_RNA)
where:
Base-Base interactions energy: -466.217
where: short stacking energy: -184.350
Base-Backbone interact. energy: -0.901
local terms energy: -187.300293
where:
bonds (distance) C4'-P energy: -37.989
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -41.848
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -54.056
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: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -636.765297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.765297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.765297 (E_RNA)
where:
Base-Base interactions energy: -445.497
where: short stacking energy: -173.435
Base-Backbone interact. energy: -0.541
local terms energy: -190.727462
where:
bonds (distance) C4'-P energy: -42.369
bonds (distance) P-C4' energy: -33.105
flat angles C4'-P-C4' energy: -40.825
flat angles P-C4'-P energy: -26.524
tors. eta vs tors. theta energy: -47.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -559.943890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.943890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.943890 (E_RNA)
where:
Base-Base interactions energy: -362.914
where: short stacking energy: -159.718
Base-Backbone interact. energy: -0.761
local terms energy: -196.269045
where:
bonds (distance) C4'-P energy: -33.520
bonds (distance) P-C4' energy: -40.625
flat angles C4'-P-C4' energy: -38.905
flat angles P-C4'-P energy: -27.900
tors. eta vs tors. theta energy: -55.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -575.685404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.685404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.685404 (E_RNA)
where:
Base-Base interactions energy: -383.837
where: short stacking energy: -167.734
Base-Backbone interact. energy: -0.506
local terms energy: -191.341794
where:
bonds (distance) C4'-P energy: -40.656
bonds (distance) P-C4' energy: -38.763
flat angles C4'-P-C4' energy: -37.537
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -50.802
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: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -499.777171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.777171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.777171 (E_RNA)
where:
Base-Base interactions energy: -314.191
where: short stacking energy: -145.277
Base-Backbone interact. energy: 0.013
local terms energy: -185.599351
where:
bonds (distance) C4'-P energy: -42.991
bonds (distance) P-C4' energy: -39.904
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -35.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -373.100182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.100182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.100182 (E_RNA)
where:
Base-Base interactions energy: -219.142
where: short stacking energy: -112.559
Base-Backbone interact. energy: -0.396
local terms energy: -153.561807
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -28.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -289.773339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.773339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.773339 (E_RNA)
where:
Base-Base interactions energy: -147.306
where: short stacking energy: -74.058
Base-Backbone interact. energy: -1.071
local terms energy: -141.396125
where:
bonds (distance) C4'-P energy: -35.900
bonds (distance) P-C4' energy: -37.280
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -185.689201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.689201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.689201 (E_RNA)
where:
Base-Base interactions energy: -78.198
where: short stacking energy: -50.774
Base-Backbone interact. energy: -0.663
local terms energy: -106.828439
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -37.410
flat angles C4'-P-C4' energy: -33.912
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: 14.111
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: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -172.287355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.287355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.287355 (E_RNA)
where:
Base-Base interactions energy: -61.204
where: short stacking energy: -31.705
Base-Backbone interact. energy: 1.718
local terms energy: -112.800770
where:
bonds (distance) C4'-P energy: -43.397
bonds (distance) P-C4' energy: -32.540
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -23.258
tors. eta vs tors. theta energy: 14.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -674.999578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.999578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.999578 (E_RNA)
where:
Base-Base interactions energy: -467.156
where: short stacking energy: -179.590
Base-Backbone interact. energy: -1.389
local terms energy: -206.454663
where:
bonds (distance) C4'-P energy: -42.186
bonds (distance) P-C4' energy: -39.255
flat angles C4'-P-C4' energy: -44.095
flat angles P-C4'-P energy: -25.669
tors. eta vs tors. theta energy: -55.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -674.734982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.734982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.734982 (E_RNA)
where:
Base-Base interactions energy: -477.018
where: short stacking energy: -186.370
Base-Backbone interact. energy: -0.872
local terms energy: -196.844976
where:
bonds (distance) C4'-P energy: -40.842
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -38.279
flat angles P-C4'-P energy: -28.559
tors. eta vs tors. theta energy: -52.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -625.959788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.959788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.959788 (E_RNA)
where:
Base-Base interactions energy: -438.416
where: short stacking energy: -165.331
Base-Backbone interact. energy: -0.259
local terms energy: -187.284944
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -46.768
flat angles P-C4'-P energy: -27.443
tors. eta vs tors. theta energy: -43.885
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: 220
Temperature: 1.050000
Total energy: -579.154514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.154514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.154514 (E_RNA)
where:
Base-Base interactions energy: -382.403
where: short stacking energy: -154.949
Base-Backbone interact. energy: -0.834
local terms energy: -195.916812
where:
bonds (distance) C4'-P energy: -37.788
bonds (distance) P-C4' energy: -35.633
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -46.351
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: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -537.937175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.937175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.937175 (E_RNA)
where:
Base-Base interactions energy: -349.362
where: short stacking energy: -156.959
Base-Backbone interact. energy: -1.364
local terms energy: -187.210510
where:
bonds (distance) C4'-P energy: -30.532
bonds (distance) P-C4' energy: -45.393
flat angles C4'-P-C4' energy: -39.297
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -51.452
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: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -494.378013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.378013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.378013 (E_RNA)
where:
Base-Base interactions energy: -307.129
where: short stacking energy: -147.986
Base-Backbone interact. energy: -0.662
local terms energy: -186.586318
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -38.673
flat angles C4'-P-C4' energy: -46.733
flat angles P-C4'-P energy: -24.007
tors. eta vs tors. theta energy: -43.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -364.304312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.304312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.304312 (E_RNA)
where:
Base-Base interactions energy: -214.278
where: short stacking energy: -101.876
Base-Backbone interact. energy: 0.828
local terms energy: -150.854423
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -36.630
flat angles C4'-P-C4' energy: -39.198
flat angles P-C4'-P energy: -24.455
tors. eta vs tors. theta energy: -18.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -331.614819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.614819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.614819 (E_RNA)
where:
Base-Base interactions energy: -186.267
where: short stacking energy: -102.228
Base-Backbone interact. energy: -0.822
local terms energy: -144.525734
where:
bonds (distance) C4'-P energy: -32.102
bonds (distance) P-C4' energy: -32.737
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -23.598
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -188.174326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.174326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.174326 (E_RNA)
where:
Base-Base interactions energy: -62.315
where: short stacking energy: -52.420
Base-Backbone interact. energy: -0.377
local terms energy: -125.482509
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -22.881
tors. eta vs tors. theta energy: -5.908
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: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -176.878293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.878293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.878293 (E_RNA)
where:
Base-Base interactions energy: -50.889
where: short stacking energy: -49.016
Base-Backbone interact. energy: 1.325
local terms energy: -127.314417
where:
bonds (distance) C4'-P energy: -40.074
bonds (distance) P-C4' energy: -47.309
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: 5.861
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: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -667.419975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.419975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.419975 (E_RNA)
where:
Base-Base interactions energy: -481.457
where: short stacking energy: -185.735
Base-Backbone interact. energy: -0.111
local terms energy: -185.851780
where:
bonds (distance) C4'-P energy: -38.406
bonds (distance) P-C4' energy: -40.002
flat angles C4'-P-C4' energy: -40.574
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -49.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -673.165694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.165694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.165694 (E_RNA)
where:
Base-Base interactions energy: -461.387
where: short stacking energy: -185.199
Base-Backbone interact. energy: -1.357
local terms energy: -210.422112
where:
bonds (distance) C4'-P energy: -35.684
bonds (distance) P-C4' energy: -40.369
flat angles C4'-P-C4' energy: -45.747
flat angles P-C4'-P energy: -31.009
tors. eta vs tors. theta energy: -57.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -653.579478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.579478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.579478 (E_RNA)
where:
Base-Base interactions energy: -454.885
where: short stacking energy: -194.675
Base-Backbone interact. energy: -0.349
local terms energy: -198.345159
where:
bonds (distance) C4'-P energy: -35.199
bonds (distance) P-C4' energy: -36.585
flat angles C4'-P-C4' energy: -44.424
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: -53.889
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: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -576.005444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.005444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.005444 (E_RNA)
where:
Base-Base interactions energy: -383.593
where: short stacking energy: -164.214
Base-Backbone interact. energy: -0.854
local terms energy: -191.558276
where:
bonds (distance) C4'-P energy: -44.633
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -40.092
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -44.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -562.659480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.659480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.659480 (E_RNA)
where:
Base-Base interactions energy: -373.752
where: short stacking energy: -167.159
Base-Backbone interact. energy: -0.781
local terms energy: -188.126442
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -45.400
flat angles P-C4'-P energy: -32.178
tors. eta vs tors. theta energy: -49.741
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: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -491.671811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.671811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.671811 (E_RNA)
where:
Base-Base interactions energy: -314.980
where: short stacking energy: -142.800
Base-Backbone interact. energy: -0.610
local terms energy: -176.080997
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -43.718
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -41.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -383.591510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.591510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.591510 (E_RNA)
where:
Base-Base interactions energy: -225.427
where: short stacking energy: -112.565
Base-Backbone interact. energy: -1.837
local terms energy: -156.327456
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -39.050
flat angles P-C4'-P energy: -30.020
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -343.760617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.760617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.760617 (E_RNA)
where:
Base-Base interactions energy: -188.538
where: short stacking energy: -107.049
Base-Backbone interact. energy: -0.327
local terms energy: -154.895432
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -37.896
flat angles C4'-P-C4' energy: -36.608
flat angles P-C4'-P energy: -24.980
tors. eta vs tors. theta energy: -30.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -190.719173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.719173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.719173 (E_RNA)
where:
Base-Base interactions energy: -79.654
where: short stacking energy: -63.866
Base-Backbone interact. energy: 1.704
local terms energy: -112.769484
where:
bonds (distance) C4'-P energy: -36.756
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: 2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -172.383441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.383441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.383441 (E_RNA)
where:
Base-Base interactions energy: -54.999
where: short stacking energy: -54.009
Base-Backbone interact. energy: -0.119
local terms energy: -117.266026
where:
bonds (distance) C4'-P energy: -34.409
bonds (distance) P-C4' energy: -41.827
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: 2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -693.162281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.162281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.162281 (E_RNA)
where:
Base-Base interactions energy: -475.650
where: short stacking energy: -197.412
Base-Backbone interact. energy: -0.450
local terms energy: -217.061960
where:
bonds (distance) C4'-P energy: -43.533
bonds (distance) P-C4' energy: -41.056
flat angles C4'-P-C4' energy: -43.256
flat angles P-C4'-P energy: -30.066
tors. eta vs tors. theta energy: -59.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -661.907650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.907650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.907650 (E_RNA)
where:
Base-Base interactions energy: -463.559
where: short stacking energy: -184.901
Base-Backbone interact. energy: -2.107
local terms energy: -196.241641
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -41.401
flat angles C4'-P-C4' energy: -35.490
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -55.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -652.149077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.149077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.149077 (E_RNA)
where:
Base-Base interactions energy: -435.233
where: short stacking energy: -179.137
Base-Backbone interact. energy: -0.261
local terms energy: -216.654437
where:
bonds (distance) C4'-P energy: -41.989
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -34.250
tors. eta vs tors. theta energy: -55.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -595.935467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.935467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.935467 (E_RNA)
where:
Base-Base interactions energy: -397.584
where: short stacking energy: -172.989
Base-Backbone interact. energy: 2.385
local terms energy: -200.736431
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -39.849
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -31.001
tors. eta vs tors. theta energy: -59.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -548.924573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.924573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.924573 (E_RNA)
where:
Base-Base interactions energy: -361.587
where: short stacking energy: -157.849
Base-Backbone interact. energy: -0.525
local terms energy: -186.811854
where:
bonds (distance) C4'-P energy: -34.824
bonds (distance) P-C4' energy: -37.000
flat angles C4'-P-C4' energy: -43.821
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -49.408
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: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -478.721521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.721521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.721521 (E_RNA)
where:
Base-Base interactions energy: -303.923
where: short stacking energy: -146.963
Base-Backbone interact. energy: 0.211
local terms energy: -175.009000
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -39.293
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -45.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -329.904982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.904982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.904982 (E_RNA)
where:
Base-Base interactions energy: -191.411
where: short stacking energy: -97.718
Base-Backbone interact. energy: -1.073
local terms energy: -137.420634
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -36.022
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -353.124546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.124546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.124546 (E_RNA)
where:
Base-Base interactions energy: -212.014
where: short stacking energy: -101.948
Base-Backbone interact. energy: -0.503
local terms energy: -140.608182
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -39.637
flat angles C4'-P-C4' energy: -25.104
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -181.742316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.742316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.742316 (E_RNA)
where:
Base-Base interactions energy: -58.976
where: short stacking energy: -43.829
Base-Backbone interact. energy: -0.979
local terms energy: -121.787855
where:
bonds (distance) C4'-P energy: -36.714
bonds (distance) P-C4' energy: -39.239
flat angles C4'-P-C4' energy: -32.664
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: 6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -172.609170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.609170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.609170 (E_RNA)
where:
Base-Base interactions energy: -63.022
where: short stacking energy: -35.931
Base-Backbone interact. energy: -0.661
local terms energy: -108.925649
where:
bonds (distance) C4'-P energy: -35.650
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: 1.550
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: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -697.582689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.582689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.582689 (E_RNA)
where:
Base-Base interactions energy: -487.406
where: short stacking energy: -190.181
Base-Backbone interact. energy: -0.776
local terms energy: -209.400619
where:
bonds (distance) C4'-P energy: -40.678
bonds (distance) P-C4' energy: -40.035
flat angles C4'-P-C4' energy: -40.973
flat angles P-C4'-P energy: -32.955
tors. eta vs tors. theta energy: -54.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -656.756494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.756494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.756494 (E_RNA)
where:
Base-Base interactions energy: -446.948
where: short stacking energy: -184.845
Base-Backbone interact. energy: -0.134
local terms energy: -209.674655
where:
bonds (distance) C4'-P energy: -38.674
bonds (distance) P-C4' energy: -40.790
flat angles C4'-P-C4' energy: -42.179
flat angles P-C4'-P energy: -30.345
tors. eta vs tors. theta energy: -57.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -659.703019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.703019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.703019 (E_RNA)
where:
Base-Base interactions energy: -455.731
where: short stacking energy: -181.212
Base-Backbone interact. energy: -2.692
local terms energy: -201.279780
where:
bonds (distance) C4'-P energy: -42.480
bonds (distance) P-C4' energy: -30.527
flat angles C4'-P-C4' energy: -42.219
flat angles P-C4'-P energy: -30.998
tors. eta vs tors. theta energy: -55.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -547.821496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.821496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.821496 (E_RNA)
where:
Base-Base interactions energy: -379.605
where: short stacking energy: -136.525
Base-Backbone interact. energy: -0.327
local terms energy: -167.889338
where:
bonds (distance) C4'-P energy: -29.814
bonds (distance) P-C4' energy: -40.785
flat angles C4'-P-C4' energy: -34.629
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: -36.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -581.810373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.810373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.810373 (E_RNA)
where:
Base-Base interactions energy: -385.480
where: short stacking energy: -165.266
Base-Backbone interact. energy: -0.624
local terms energy: -195.706544
where:
bonds (distance) C4'-P energy: -35.050
bonds (distance) P-C4' energy: -29.995
flat angles C4'-P-C4' energy: -41.407
flat angles P-C4'-P energy: -36.744
tors. eta vs tors. theta energy: -52.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -488.239994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.239994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.239994 (E_RNA)
where:
Base-Base interactions energy: -311.064
where: short stacking energy: -156.492
Base-Backbone interact. energy: -0.616
local terms energy: -176.560028
where:
bonds (distance) C4'-P energy: -29.174
bonds (distance) P-C4' energy: -42.735
flat angles C4'-P-C4' energy: -41.197
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -43.143
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: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -353.339510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.339510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.339510 (E_RNA)
where:
Base-Base interactions energy: -191.694
where: short stacking energy: -113.157
Base-Backbone interact. energy: -0.505
local terms energy: -161.139818
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -41.188
flat angles C4'-P-C4' energy: -38.486
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -35.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -371.898780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.898780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.898780 (E_RNA)
where:
Base-Base interactions energy: -207.799
where: short stacking energy: -116.817
Base-Backbone interact. energy: -0.587
local terms energy: -163.512491
where:
bonds (distance) C4'-P energy: -29.563
bonds (distance) P-C4' energy: -41.282
flat angles C4'-P-C4' energy: -37.247
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -28.685
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: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -173.904852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.904852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.904852 (E_RNA)
where:
Base-Base interactions energy: -67.847
where: short stacking energy: -52.114
Base-Backbone interact. energy: -0.655
local terms energy: -105.402423
where:
bonds (distance) C4'-P energy: -37.446
bonds (distance) P-C4' energy: -34.699
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: 3.927
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: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -175.707347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.707347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.707347 (E_RNA)
where:
Base-Base interactions energy: -56.634
where: short stacking energy: -57.475
Base-Backbone interact. energy: -0.133
local terms energy: -118.939837
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -10.401
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: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -701.812345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.812345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.812345 (E_RNA)
where:
Base-Base interactions energy: -482.670
where: short stacking energy: -187.265
Base-Backbone interact. energy: -0.947
local terms energy: -218.195011
where:
bonds (distance) C4'-P energy: -41.856
bonds (distance) P-C4' energy: -45.584
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -59.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -661.700369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.700369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.700369 (E_RNA)
where:
Base-Base interactions energy: -459.955
where: short stacking energy: -187.678
Base-Backbone interact. energy: -0.339
local terms energy: -201.406086
where:
bonds (distance) C4'-P energy: -37.632
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -42.588
flat angles P-C4'-P energy: -27.885
tors. eta vs tors. theta energy: -57.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -657.289483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.289483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.289483 (E_RNA)
where:
Base-Base interactions energy: -454.825
where: short stacking energy: -197.981
Base-Backbone interact. energy: -0.331
local terms energy: -202.133555
where:
bonds (distance) C4'-P energy: -31.936
bonds (distance) P-C4' energy: -44.143
flat angles C4'-P-C4' energy: -46.895
flat angles P-C4'-P energy: -22.391
tors. eta vs tors. theta energy: -56.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -565.988992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.988992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.988992 (E_RNA)
where:
Base-Base interactions energy: -380.215
where: short stacking energy: -154.422
Base-Backbone interact. energy: -1.184
local terms energy: -184.590451
where:
bonds (distance) C4'-P energy: -32.686
bonds (distance) P-C4' energy: -43.009
flat angles C4'-P-C4' energy: -40.639
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -40.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -492.724852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.724852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.724852 (E_RNA)
where:
Base-Base interactions energy: -326.801
where: short stacking energy: -149.822
Base-Backbone interact. energy: 0.436
local terms energy: -166.359382
where:
bonds (distance) C4'-P energy: -36.946
bonds (distance) P-C4' energy: -32.773
flat angles C4'-P-C4' energy: -38.831
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -35.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -550.343518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.343518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.343518 (E_RNA)
where:
Base-Base interactions energy: -368.049
where: short stacking energy: -153.960
Base-Backbone interact. energy: 0.076
local terms energy: -182.370975
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -31.509
flat angles C4'-P-C4' energy: -37.396
flat angles P-C4'-P energy: -28.522
tors. eta vs tors. theta energy: -45.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -340.918368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.918368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.918368 (E_RNA)
where:
Base-Base interactions energy: -184.791
where: short stacking energy: -84.023
Base-Backbone interact. energy: 0.723
local terms energy: -156.850984
where:
bonds (distance) C4'-P energy: -39.362
bonds (distance) P-C4' energy: -38.820
flat angles C4'-P-C4' energy: -33.026
flat angles P-C4'-P energy: -29.344
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -280.104741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.104741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.104741 (E_RNA)
where:
Base-Base interactions energy: -156.640
where: short stacking energy: -87.732
Base-Backbone interact. energy: -1.091
local terms energy: -122.374005
where:
bonds (distance) C4'-P energy: -34.671
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -15.927
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: 224
Temperature: 1.300000
Total energy: -185.813469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.813469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.813469 (E_RNA)
where:
Base-Base interactions energy: -69.403
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.930
local terms energy: -115.480739
where:
bonds (distance) C4'-P energy: -38.160
bonds (distance) P-C4' energy: -32.649
flat angles C4'-P-C4' energy: -29.232
flat angles P-C4'-P energy: -17.513
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: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -174.839968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.839968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.839968 (E_RNA)
where:
Base-Base interactions energy: -54.968
where: short stacking energy: -34.477
Base-Backbone interact. energy: -1.385
local terms energy: -118.487493
where:
bonds (distance) C4'-P energy: -35.981
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: 4.063
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: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -674.920321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.920321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.920321 (E_RNA)
where:
Base-Base interactions energy: -474.355
where: short stacking energy: -185.968
Base-Backbone interact. energy: -0.749
local terms energy: -199.816650
where:
bonds (distance) C4'-P energy: -37.279
bonds (distance) P-C4' energy: -37.916
flat angles C4'-P-C4' energy: -44.042
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -57.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -675.472966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.472966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.472966 (E_RNA)
where:
Base-Base interactions energy: -480.912
where: short stacking energy: -189.777
Base-Backbone interact. energy: 1.092
local terms energy: -195.652943
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -35.588
flat angles C4'-P-C4' energy: -42.798
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -55.117
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: 225
Temperature: 1.000000
Total energy: -646.255339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.255339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.255339 (E_RNA)
where:
Base-Base interactions energy: -449.493
where: short stacking energy: -182.977
Base-Backbone interact. energy: 0.604
local terms energy: -197.367182
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -41.180
flat angles C4'-P-C4' energy: -45.563
flat angles P-C4'-P energy: -23.327
tors. eta vs tors. theta energy: -56.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -554.931282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.931282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.931282 (E_RNA)
where:
Base-Base interactions energy: -375.273
where: short stacking energy: -162.016
Base-Backbone interact. energy: -0.887
local terms energy: -178.770882
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -29.149
tors. eta vs tors. theta energy: -42.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -493.500687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.500687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.500687 (E_RNA)
where:
Base-Base interactions energy: -320.304
where: short stacking energy: -141.620
Base-Backbone interact. energy: -0.725
local terms energy: -172.471655
where:
bonds (distance) C4'-P energy: -27.607
bonds (distance) P-C4' energy: -37.023
flat angles C4'-P-C4' energy: -41.444
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: -39.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -552.831138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.831138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.831138 (E_RNA)
where:
Base-Base interactions energy: -373.216
where: short stacking energy: -164.338
Base-Backbone interact. energy: -0.750
local terms energy: -178.865109
where:
bonds (distance) C4'-P energy: -38.097
bonds (distance) P-C4' energy: -35.486
flat angles C4'-P-C4' energy: -41.197
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -43.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -316.901212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.901212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.901212 (E_RNA)
where:
Base-Base interactions energy: -188.587
where: short stacking energy: -107.051
Base-Backbone interact. energy: -0.474
local terms energy: -127.841056
where:
bonds (distance) C4'-P energy: -33.862
bonds (distance) P-C4' energy: -33.658
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -213.334494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.334494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.334494 (E_RNA)
where:
Base-Base interactions energy: -113.215
where: short stacking energy: -48.489
Base-Backbone interact. energy: 1.683
local terms energy: -101.803408
where:
bonds (distance) C4'-P energy: -33.897
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: 3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -195.248140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.248140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.248140 (E_RNA)
where:
Base-Base interactions energy: -68.801
where: short stacking energy: -61.506
Base-Backbone interact. energy: -0.173
local terms energy: -126.274688
where:
bonds (distance) C4'-P energy: -38.221
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -17.532
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: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -168.595926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.595926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.595926 (E_RNA)
where:
Base-Base interactions energy: -41.670
where: short stacking energy: -38.752
Base-Backbone interact. energy: -1.095
local terms energy: -125.831083
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -43.287
flat angles C4'-P-C4' energy: -34.923
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: 7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -688.601278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.601278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.601278 (E_RNA)
where:
Base-Base interactions energy: -476.562
where: short stacking energy: -189.182
Base-Backbone interact. energy: -0.762
local terms energy: -211.277362
where:
bonds (distance) C4'-P energy: -37.670
bonds (distance) P-C4' energy: -45.474
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -33.635
tors. eta vs tors. theta energy: -51.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -686.132914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.132914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.132914 (E_RNA)
where:
Base-Base interactions energy: -469.292
where: short stacking energy: -189.521
Base-Backbone interact. energy: -1.081
local terms energy: -215.759624
where:
bonds (distance) C4'-P energy: -41.266
bonds (distance) P-C4' energy: -38.863
flat angles C4'-P-C4' energy: -42.843
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: -59.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -655.428303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.428303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.428303 (E_RNA)
where:
Base-Base interactions energy: -457.796
where: short stacking energy: -186.623
Base-Backbone interact. energy: -0.024
local terms energy: -197.607823
where:
bonds (distance) C4'-P energy: -39.270
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -44.263
flat angles P-C4'-P energy: -24.850
tors. eta vs tors. theta energy: -52.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -591.570608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.570608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.570608 (E_RNA)
where:
Base-Base interactions energy: -391.869
where: short stacking energy: -168.188
Base-Backbone interact. energy: -1.222
local terms energy: -198.479203
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -40.547
flat angles C4'-P-C4' energy: -41.454
flat angles P-C4'-P energy: -34.135
tors. eta vs tors. theta energy: -47.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -546.295150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.295150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.295150 (E_RNA)
where:
Base-Base interactions energy: -352.987
where: short stacking energy: -149.192
Base-Backbone interact. energy: 3.944
local terms energy: -197.251745
where:
bonds (distance) C4'-P energy: -40.337
bonds (distance) P-C4' energy: -41.600
flat angles C4'-P-C4' energy: -38.701
flat angles P-C4'-P energy: -30.665
tors. eta vs tors. theta energy: -45.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -476.781237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.781237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.781237 (E_RNA)
where:
Base-Base interactions energy: -297.656
where: short stacking energy: -145.029
Base-Backbone interact. energy: -0.717
local terms energy: -178.408632
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -44.025
flat angles C4'-P-C4' energy: -39.955
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -37.824
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: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -347.590295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.590295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.590295 (E_RNA)
where:
Base-Base interactions energy: -199.179
where: short stacking energy: -121.032
Base-Backbone interact. energy: 0.669
local terms energy: -149.079852
where:
bonds (distance) C4'-P energy: -32.274
bonds (distance) P-C4' energy: -31.670
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -31.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -194.789764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.789764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.789764 (E_RNA)
where:
Base-Base interactions energy: -84.377
where: short stacking energy: -58.968
Base-Backbone interact. energy: -0.620
local terms energy: -109.792492
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -35.567
flat angles C4'-P-C4' energy: -35.459
flat angles P-C4'-P energy: -15.521
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: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -199.708807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.708807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.708807 (E_RNA)
where:
Base-Base interactions energy: -59.987
where: short stacking energy: -52.800
Base-Backbone interact. energy: 1.725
local terms energy: -141.446083
where:
bonds (distance) C4'-P energy: -40.892
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -20.623
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -162.513366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.513366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.513366 (E_RNA)
where:
Base-Base interactions energy: -49.672
where: short stacking energy: -46.461
Base-Backbone interact. energy: 0.488
local terms energy: -113.329128
where:
bonds (distance) C4'-P energy: -31.447
bonds (distance) P-C4' energy: -38.184
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: 3.210
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: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -685.627371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.627371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.627371 (E_RNA)
where:
Base-Base interactions energy: -485.685
where: short stacking energy: -189.188
Base-Backbone interact. energy: -1.798
local terms energy: -198.144271
where:
bonds (distance) C4'-P energy: -38.241
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -41.372
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: -58.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -684.066082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.066082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.066082 (E_RNA)
where:
Base-Base interactions energy: -477.794
where: short stacking energy: -195.265
Base-Backbone interact. energy: -2.171
local terms energy: -204.100629
where:
bonds (distance) C4'-P energy: -41.647
bonds (distance) P-C4' energy: -36.288
flat angles C4'-P-C4' energy: -43.699
flat angles P-C4'-P energy: -24.244
tors. eta vs tors. theta energy: -58.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -653.876863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.876863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.876863 (E_RNA)
where:
Base-Base interactions energy: -446.406
where: short stacking energy: -185.596
Base-Backbone interact. energy: -0.147
local terms energy: -207.323424
where:
bonds (distance) C4'-P energy: -41.200
bonds (distance) P-C4' energy: -40.693
flat angles C4'-P-C4' energy: -45.129
flat angles P-C4'-P energy: -30.223
tors. eta vs tors. theta energy: -50.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -575.972809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.972809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.972809 (E_RNA)
where:
Base-Base interactions energy: -376.951
where: short stacking energy: -153.259
Base-Backbone interact. energy: -1.482
local terms energy: -197.540086
where:
bonds (distance) C4'-P energy: -36.100
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -36.771
flat angles P-C4'-P energy: -32.379
tors. eta vs tors. theta energy: -51.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -554.709353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.709353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.709353 (E_RNA)
where:
Base-Base interactions energy: -361.649
where: short stacking energy: -143.547
Base-Backbone interact. energy: -0.247
local terms energy: -192.813646
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -32.234
flat angles C4'-P-C4' energy: -45.914
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: -43.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -502.236659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.236659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.236659 (E_RNA)
where:
Base-Base interactions energy: -320.336
where: short stacking energy: -141.943
Base-Backbone interact. energy: -0.866
local terms energy: -181.035116
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -38.774
flat angles C4'-P-C4' energy: -43.314
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -41.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -371.766298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.766298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.766298 (E_RNA)
where:
Base-Base interactions energy: -232.271
where: short stacking energy: -107.386
Base-Backbone interact. energy: 2.740
local terms energy: -142.236216
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -34.744
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -20.099
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: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -213.296154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.296154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.296154 (E_RNA)
where:
Base-Base interactions energy: -91.230
where: short stacking energy: -66.075
Base-Backbone interact. energy: 1.381
local terms energy: -123.446811
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -42.104
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: 5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -198.444319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.444319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.444319 (E_RNA)
where:
Base-Base interactions energy: -69.412
where: short stacking energy: -55.206
Base-Backbone interact. energy: -0.663
local terms energy: -128.369022
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -38.397
flat angles C4'-P-C4' energy: -32.837
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -168.819329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.819329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.819329 (E_RNA)
where:
Base-Base interactions energy: -66.590
where: short stacking energy: -50.496
Base-Backbone interact. energy: 0.326
local terms energy: -102.555635
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: 3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -680.610607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.610607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.610607 (E_RNA)
where:
Base-Base interactions energy: -475.466
where: short stacking energy: -180.373
Base-Backbone interact. energy: -1.367
local terms energy: -203.777012
where:
bonds (distance) C4'-P energy: -43.488
bonds (distance) P-C4' energy: -37.995
flat angles C4'-P-C4' energy: -38.176
flat angles P-C4'-P energy: -28.539
tors. eta vs tors. theta energy: -55.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -675.645840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.645840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.645840 (E_RNA)
where:
Base-Base interactions energy: -459.336
where: short stacking energy: -198.875
Base-Backbone interact. energy: -1.617
local terms energy: -214.692734
where:
bonds (distance) C4'-P energy: -34.677
bonds (distance) P-C4' energy: -44.787
flat angles C4'-P-C4' energy: -45.543
flat angles P-C4'-P energy: -30.947
tors. eta vs tors. theta energy: -58.739
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: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -653.158196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.158196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.158196 (E_RNA)
where:
Base-Base interactions energy: -446.405
where: short stacking energy: -186.010
Base-Backbone interact. energy: -0.815
local terms energy: -205.938403
where:
bonds (distance) C4'-P energy: -39.770
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -43.207
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -58.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -555.428881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.428881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.428881 (E_RNA)
where:
Base-Base interactions energy: -366.537
where: short stacking energy: -162.739
Base-Backbone interact. energy: -0.717
local terms energy: -188.174979
where:
bonds (distance) C4'-P energy: -40.450
bonds (distance) P-C4' energy: -33.669
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -51.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -547.631159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.631159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.631159 (E_RNA)
where:
Base-Base interactions energy: -386.015
where: short stacking energy: -145.411
Base-Backbone interact. energy: -0.267
local terms energy: -161.349402
where:
bonds (distance) C4'-P energy: -30.639
bonds (distance) P-C4' energy: -37.040
flat angles C4'-P-C4' energy: -34.490
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -40.545
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: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -512.329728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.329728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.329728 (E_RNA)
where:
Base-Base interactions energy: -332.314
where: short stacking energy: -159.338
Base-Backbone interact. energy: -0.819
local terms energy: -179.196103
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -38.702
flat angles C4'-P-C4' energy: -31.605
flat angles P-C4'-P energy: -28.486
tors. eta vs tors. theta energy: -44.615
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: 228
Temperature: 1.200000
Total energy: -346.294831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.294831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.294831 (E_RNA)
where:
Base-Base interactions energy: -199.179
where: short stacking energy: -98.316
Base-Backbone interact. energy: -0.466
local terms energy: -146.649642
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -19.579
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: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -219.950590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.950590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.950590 (E_RNA)
where:
Base-Base interactions energy: -85.354
where: short stacking energy: -65.180
Base-Backbone interact. energy: -0.609
local terms energy: -133.987913
where:
bonds (distance) C4'-P energy: -39.777
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -174.542164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.542164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.542164 (E_RNA)
where:
Base-Base interactions energy: -57.929
where: short stacking energy: -50.425
Base-Backbone interact. energy: 0.812
local terms energy: -117.425118
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -33.498
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -188.905059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.905059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.905059 (E_RNA)
where:
Base-Base interactions energy: -79.542
where: short stacking energy: -38.068
Base-Backbone interact. energy: 1.195
local terms energy: -110.557832
where:
bonds (distance) C4'-P energy: -34.461
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -21.104
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: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -678.702742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.702742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.702742 (E_RNA)
where:
Base-Base interactions energy: -478.719
where: short stacking energy: -193.618
Base-Backbone interact. energy: -1.093
local terms energy: -198.891062
where:
bonds (distance) C4'-P energy: -44.562
bonds (distance) P-C4' energy: -40.758
flat angles C4'-P-C4' energy: -37.303
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -52.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -647.705621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.705621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.705621 (E_RNA)
where:
Base-Base interactions energy: -440.907
where: short stacking energy: -187.078
Base-Backbone interact. energy: -0.015
local terms energy: -206.783745
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -37.760
flat angles C4'-P-C4' energy: -46.527
flat angles P-C4'-P energy: -30.732
tors. eta vs tors. theta energy: -56.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -674.943953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.943953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.943953 (E_RNA)
where:
Base-Base interactions energy: -462.444
where: short stacking energy: -191.864
Base-Backbone interact. energy: -0.917
local terms energy: -211.582822
where:
bonds (distance) C4'-P energy: -40.380
bonds (distance) P-C4' energy: -36.156
flat angles C4'-P-C4' energy: -48.045
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -62.301
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: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -569.756124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.756124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.756124 (E_RNA)
where:
Base-Base interactions energy: -378.426
where: short stacking energy: -176.887
Base-Backbone interact. energy: -0.867
local terms energy: -190.462933
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -43.068
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -54.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -548.493339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.493339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.493339 (E_RNA)
where:
Base-Base interactions energy: -358.883
where: short stacking energy: -149.011
Base-Backbone interact. energy: -0.550
local terms energy: -189.060767
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -39.008
flat angles P-C4'-P energy: -32.955
tors. eta vs tors. theta energy: -44.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -495.884020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.884020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.884020 (E_RNA)
where:
Base-Base interactions energy: -315.707
where: short stacking energy: -152.018
Base-Backbone interact. energy: -0.685
local terms energy: -179.492230
where:
bonds (distance) C4'-P energy: -41.264
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -43.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -363.534961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.534961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.534961 (E_RNA)
where:
Base-Base interactions energy: -209.053
where: short stacking energy: -106.628
Base-Backbone interact. energy: -1.539
local terms energy: -152.942825
where:
bonds (distance) C4'-P energy: -31.734
bonds (distance) P-C4' energy: -32.158
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -21.311
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: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -189.652049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.652049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.652049 (E_RNA)
where:
Base-Base interactions energy: -75.315
where: short stacking energy: -65.384
Base-Backbone interact. energy: -0.007
local terms energy: -114.329493
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -167.382378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.382378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.382378 (E_RNA)
where:
Base-Base interactions energy: -49.687
where: short stacking energy: -43.515
Base-Backbone interact. energy: -1.785
local terms energy: -115.909469
where:
bonds (distance) C4'-P energy: -35.079
bonds (distance) P-C4' energy: -30.642
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -187.609819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.609819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.609819 (E_RNA)
where:
Base-Base interactions energy: -76.794
where: short stacking energy: -44.766
Base-Backbone interact. energy: -0.485
local terms energy: -110.330962
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -32.576
flat angles C4'-P-C4' energy: -35.548
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: 2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -678.165335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.165335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.165335 (E_RNA)
where:
Base-Base interactions energy: -483.260
where: short stacking energy: -189.365
Base-Backbone interact. energy: -0.117
local terms energy: -194.788194
where:
bonds (distance) C4'-P energy: -28.656
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -41.185
flat angles P-C4'-P energy: -30.694
tors. eta vs tors. theta energy: -56.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -652.160812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.160812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.160812 (E_RNA)
where:
Base-Base interactions energy: -443.006
where: short stacking energy: -177.198
Base-Backbone interact. energy: -1.643
local terms energy: -207.512379
where:
bonds (distance) C4'-P energy: -41.177
bonds (distance) P-C4' energy: -38.673
flat angles C4'-P-C4' energy: -44.045
flat angles P-C4'-P energy: -28.581
tors. eta vs tors. theta energy: -55.036
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: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -652.141019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.141019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.141019 (E_RNA)
where:
Base-Base interactions energy: -451.216
where: short stacking energy: -181.286
Base-Backbone interact. energy: -1.395
local terms energy: -199.530592
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -43.375
flat angles P-C4'-P energy: -29.029
tors. eta vs tors. theta energy: -58.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -582.897206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.897206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.897206 (E_RNA)
where:
Base-Base interactions energy: -392.314
where: short stacking energy: -172.407
Base-Backbone interact. energy: -1.254
local terms energy: -189.329743
where:
bonds (distance) C4'-P energy: -34.816
bonds (distance) P-C4' energy: -36.107
flat angles C4'-P-C4' energy: -40.111
flat angles P-C4'-P energy: -28.539
tors. eta vs tors. theta energy: -49.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -541.918719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.918719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.918719 (E_RNA)
where:
Base-Base interactions energy: -362.622
where: short stacking energy: -150.966
Base-Backbone interact. energy: 0.004
local terms energy: -179.301022
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -42.012
flat angles C4'-P-C4' energy: -42.471
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -44.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -489.708015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.708015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.708015 (E_RNA)
where:
Base-Base interactions energy: -312.418
where: short stacking energy: -144.972
Base-Backbone interact. energy: 0.160
local terms energy: -177.449781
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -33.733
flat angles C4'-P-C4' energy: -35.550
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -43.006
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: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -309.835937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.835937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.835937 (E_RNA)
where:
Base-Base interactions energy: -145.297
where: short stacking energy: -86.456
Base-Backbone interact. energy: -0.435
local terms energy: -164.103459
where:
bonds (distance) C4'-P energy: -36.559
bonds (distance) P-C4' energy: -40.502
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -32.919
tors. eta vs tors. theta energy: -15.819
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: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -211.248300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.248300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248300 (E_RNA)
where:
Base-Base interactions energy: -80.225
where: short stacking energy: -72.071
Base-Backbone interact. energy: -1.021
local terms energy: -130.002543
where:
bonds (distance) C4'-P energy: -35.224
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -36.274
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -185.357768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.357768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.357768 (E_RNA)
where:
Base-Base interactions energy: -60.231
where: short stacking energy: -45.886
Base-Backbone interact. energy: -0.857
local terms energy: -124.270232
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -36.510
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -188.273307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.273307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.273307 (E_RNA)
where:
Base-Base interactions energy: -73.679
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.320
local terms energy: -114.274718
where:
bonds (distance) C4'-P energy: -35.090
bonds (distance) P-C4' energy: -35.356
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -682.526073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.526073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.526073 (E_RNA)
where:
Base-Base interactions energy: -469.735
where: short stacking energy: -191.636
Base-Backbone interact. energy: -1.873
local terms energy: -210.918447
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -44.546
flat angles C4'-P-C4' energy: -48.927
flat angles P-C4'-P energy: -25.284
tors. eta vs tors. theta energy: -53.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -668.874666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.874666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.874666 (E_RNA)
where:
Base-Base interactions energy: -464.761
where: short stacking energy: -200.348
Base-Backbone interact. energy: -0.381
local terms energy: -203.732184
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -35.584
flat angles C4'-P-C4' energy: -47.760
flat angles P-C4'-P energy: -27.497
tors. eta vs tors. theta energy: -60.972
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: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -651.436270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.436270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.436270 (E_RNA)
where:
Base-Base interactions energy: -456.955
where: short stacking energy: -184.832
Base-Backbone interact. energy: -0.543
local terms energy: -193.937608
where:
bonds (distance) C4'-P energy: -36.614
bonds (distance) P-C4' energy: -32.270
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: -62.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -578.221036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.221036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.221036 (E_RNA)
where:
Base-Base interactions energy: -378.612
where: short stacking energy: -161.121
Base-Backbone interact. energy: -1.110
local terms energy: -198.499008
where:
bonds (distance) C4'-P energy: -44.877
bonds (distance) P-C4' energy: -35.001
flat angles C4'-P-C4' energy: -40.139
flat angles P-C4'-P energy: -28.690
tors. eta vs tors. theta energy: -49.793
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: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -563.508241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.508241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.508241 (E_RNA)
where:
Base-Base interactions energy: -377.577
where: short stacking energy: -153.741
Base-Backbone interact. energy: 0.443
local terms energy: -186.373793
where:
bonds (distance) C4'-P energy: -34.072
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -45.401
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -44.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -512.990060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.990060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.990060 (E_RNA)
where:
Base-Base interactions energy: -333.613
where: short stacking energy: -146.253
Base-Backbone interact. energy: -0.720
local terms energy: -178.656988
where:
bonds (distance) C4'-P energy: -38.829
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -28.522
tors. eta vs tors. theta energy: -47.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -309.540017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.540017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.540017 (E_RNA)
where:
Base-Base interactions energy: -173.021
where: short stacking energy: -97.233
Base-Backbone interact. energy: -0.676
local terms energy: -135.842750
where:
bonds (distance) C4'-P energy: -41.277
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -212.816680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.816680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.816680 (E_RNA)
where:
Base-Base interactions energy: -84.047
where: short stacking energy: -62.345
Base-Backbone interact. energy: -1.916
local terms energy: -126.854234
where:
bonds (distance) C4'-P energy: -28.278
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -30.970
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -181.800723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.800723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.800723 (E_RNA)
where:
Base-Base interactions energy: -61.200
where: short stacking energy: -55.928
Base-Backbone interact. energy: 1.329
local terms energy: -121.929879
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -42.156
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -19.456
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: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -170.247944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.247944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.247944 (E_RNA)
where:
Base-Base interactions energy: -43.134
where: short stacking energy: -39.993
Base-Backbone interact. energy: 0.221
local terms energy: -127.334765
where:
bonds (distance) C4'-P energy: -37.798
bonds (distance) P-C4' energy: -37.138
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -682.588266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.588266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.588266 (E_RNA)
where:
Base-Base interactions energy: -471.194
where: short stacking energy: -182.649
Base-Backbone interact. energy: -2.294
local terms energy: -209.099901
where:
bonds (distance) C4'-P energy: -42.638
bonds (distance) P-C4' energy: -40.469
flat angles C4'-P-C4' energy: -44.427
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -58.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -648.899765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.899765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.899765 (E_RNA)
where:
Base-Base interactions energy: -445.304
where: short stacking energy: -185.598
Base-Backbone interact. energy: -0.790
local terms energy: -202.806173
where:
bonds (distance) C4'-P energy: -37.331
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -40.534
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -60.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -677.713423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.713423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.713423 (E_RNA)
where:
Base-Base interactions energy: -467.263
where: short stacking energy: -188.617
Base-Backbone interact. energy: -1.166
local terms energy: -209.284507
where:
bonds (distance) C4'-P energy: -38.189
bonds (distance) P-C4' energy: -40.983
flat angles C4'-P-C4' energy: -41.449
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -60.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -595.326303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.326303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.326303 (E_RNA)
where:
Base-Base interactions energy: -401.920
where: short stacking energy: -176.718
Base-Backbone interact. energy: -0.400
local terms energy: -193.006599
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -37.755
flat angles C4'-P-C4' energy: -40.892
flat angles P-C4'-P energy: -29.678
tors. eta vs tors. theta energy: -54.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -560.981179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.981179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.981179 (E_RNA)
where:
Base-Base interactions energy: -371.446
where: short stacking energy: -165.730
Base-Backbone interact. energy: -0.361
local terms energy: -189.174786
where:
bonds (distance) C4'-P energy: -34.910
bonds (distance) P-C4' energy: -37.320
flat angles C4'-P-C4' energy: -42.620
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -48.769
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: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -522.437975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.437975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.437975 (E_RNA)
where:
Base-Base interactions energy: -328.320
where: short stacking energy: -166.376
Base-Backbone interact. energy: -0.144
local terms energy: -193.974694
where:
bonds (distance) C4'-P energy: -36.055
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -38.934
flat angles P-C4'-P energy: -24.375
tors. eta vs tors. theta energy: -57.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -298.801808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.801808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.801808 (E_RNA)
where:
Base-Base interactions energy: -155.670
where: short stacking energy: -82.162
Base-Backbone interact. energy: 2.684
local terms energy: -145.815490
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -40.825
flat angles C4'-P-C4' energy: -41.542
flat angles P-C4'-P energy: -21.910
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -201.890793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.890793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.890793 (E_RNA)
where:
Base-Base interactions energy: -76.087
where: short stacking energy: -65.138
Base-Backbone interact. energy: -0.636
local terms energy: -125.168521
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -25.724
flat angles C4'-P-C4' energy: -33.093
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: -7.487
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: 232
Temperature: 1.300000
Total energy: -194.007030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.007030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.007030 (E_RNA)
where:
Base-Base interactions energy: -60.419
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.550
local terms energy: -133.037182
where:
bonds (distance) C4'-P energy: -42.638
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -36.523
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: 2.297
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: 232
Temperature: 1.350000
Total energy: -167.149930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.149930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.149930 (E_RNA)
where:
Base-Base interactions energy: -48.159
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.210
local terms energy: -118.781448
where:
bonds (distance) C4'-P energy: -30.537
bonds (distance) P-C4' energy: -41.270
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: 0.932
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: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -690.854019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.854019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.854019 (E_RNA)
where:
Base-Base interactions energy: -479.281
where: short stacking energy: -191.815
Base-Backbone interact. energy: -2.611
local terms energy: -208.962346
where:
bonds (distance) C4'-P energy: -38.568
bonds (distance) P-C4' energy: -45.157
flat angles C4'-P-C4' energy: -42.656
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -59.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -677.898968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.898968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.898968 (E_RNA)
where:
Base-Base interactions energy: -456.679
where: short stacking energy: -194.151
Base-Backbone interact. energy: -1.103
local terms energy: -220.117298
where:
bonds (distance) C4'-P energy: -42.390
bonds (distance) P-C4' energy: -46.249
flat angles C4'-P-C4' energy: -40.908
flat angles P-C4'-P energy: -34.082
tors. eta vs tors. theta energy: -56.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -664.851022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.851022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.851022 (E_RNA)
where:
Base-Base interactions energy: -455.261
where: short stacking energy: -183.993
Base-Backbone interact. energy: -0.684
local terms energy: -208.905635
where:
bonds (distance) C4'-P energy: -31.711
bonds (distance) P-C4' energy: -46.515
flat angles C4'-P-C4' energy: -45.934
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -61.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -579.566684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.566684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.566684 (E_RNA)
where:
Base-Base interactions energy: -389.243
where: short stacking energy: -173.381
Base-Backbone interact. energy: -1.141
local terms energy: -189.182952
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -35.307
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -53.866
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: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -555.308317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.308317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.308317 (E_RNA)
where:
Base-Base interactions energy: -378.886
where: short stacking energy: -150.652
Base-Backbone interact. energy: -0.792
local terms energy: -175.630988
where:
bonds (distance) C4'-P energy: -39.988
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -38.137
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -44.802
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: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -491.211059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.211059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.211059 (E_RNA)
where:
Base-Base interactions energy: -309.802
where: short stacking energy: -159.036
Base-Backbone interact. energy: -1.378
local terms energy: -180.030924
where:
bonds (distance) C4'-P energy: -38.297
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -29.491
tors. eta vs tors. theta energy: -48.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -298.840409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.840409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.840409 (E_RNA)
where:
Base-Base interactions energy: -152.788
where: short stacking energy: -78.618
Base-Backbone interact. energy: -0.373
local terms energy: -145.679135
where:
bonds (distance) C4'-P energy: -39.386
bonds (distance) P-C4' energy: -40.395
flat angles C4'-P-C4' energy: -33.357
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -211.550139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.550139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.550139 (E_RNA)
where:
Base-Base interactions energy: -80.778
where: short stacking energy: -63.403
Base-Backbone interact. energy: -0.868
local terms energy: -129.903978
where:
bonds (distance) C4'-P energy: -36.039
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -192.381054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.381054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.381054 (E_RNA)
where:
Base-Base interactions energy: -66.164
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.254
local terms energy: -125.963188
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -172.028827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.028827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.028827 (E_RNA)
where:
Base-Base interactions energy: -69.547
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.059
local terms energy: -102.422779
where:
bonds (distance) C4'-P energy: -35.968
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -3.718
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: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -697.404573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.404573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.404573 (E_RNA)
where:
Base-Base interactions energy: -490.410
where: short stacking energy: -195.622
Base-Backbone interact. energy: -1.563
local terms energy: -205.431916
where:
bonds (distance) C4'-P energy: -42.634
bonds (distance) P-C4' energy: -45.903
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -53.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -659.186524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.186524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.186524 (E_RNA)
where:
Base-Base interactions energy: -453.108
where: short stacking energy: -179.194
Base-Backbone interact. energy: -1.769
local terms energy: -204.309807
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -43.052
flat angles C4'-P-C4' energy: -41.942
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -55.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -662.220088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.220088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.220088 (E_RNA)
where:
Base-Base interactions energy: -459.965
where: short stacking energy: -177.196
Base-Backbone interact. energy: -4.031
local terms energy: -198.224550
where:
bonds (distance) C4'-P energy: -40.808
bonds (distance) P-C4' energy: -40.538
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -30.491
tors. eta vs tors. theta energy: -49.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -599.680200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.680200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.680200 (E_RNA)
where:
Base-Base interactions energy: -398.307
where: short stacking energy: -176.173
Base-Backbone interact. energy: 0.470
local terms energy: -201.842534
where:
bonds (distance) C4'-P energy: -41.987
bonds (distance) P-C4' energy: -42.441
flat angles C4'-P-C4' energy: -46.158
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -48.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -484.394941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.394941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.394941 (E_RNA)
where:
Base-Base interactions energy: -313.956
where: short stacking energy: -141.307
Base-Backbone interact. energy: -1.553
local terms energy: -168.886665
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -38.154
flat angles C4'-P-C4' energy: -40.415
flat angles P-C4'-P energy: -19.243
tors. eta vs tors. theta energy: -37.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -524.732451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.732451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.732451 (E_RNA)
where:
Base-Base interactions energy: -353.060
where: short stacking energy: -137.531
Base-Backbone interact. energy: -0.370
local terms energy: -171.303042
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -32.289
flat angles C4'-P-C4' energy: -37.069
flat angles P-C4'-P energy: -28.173
tors. eta vs tors. theta energy: -43.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -294.539371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.539371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.539371 (E_RNA)
where:
Base-Base interactions energy: -156.521
where: short stacking energy: -79.687
Base-Backbone interact. energy: 2.236
local terms energy: -140.254449
where:
bonds (distance) C4'-P energy: -44.392
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -35.815
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -209.913660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.913660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.913660 (E_RNA)
where:
Base-Base interactions energy: -94.552
where: short stacking energy: -75.035
Base-Backbone interact. energy: -0.325
local terms energy: -115.036558
where:
bonds (distance) C4'-P energy: -39.259
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -6.726
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: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -243.701016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.701016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.701016 (E_RNA)
where:
Base-Base interactions energy: -126.617
where: short stacking energy: -73.563
Base-Backbone interact. energy: -1.210
local terms energy: -115.874498
where:
bonds (distance) C4'-P energy: -35.902
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: 5.190
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: 234
Temperature: 1.350000
Total energy: -172.832694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.832694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.832694 (E_RNA)
where:
Base-Base interactions energy: -64.198
where: short stacking energy: -51.445
Base-Backbone interact. energy: 0.031
local terms energy: -108.664942
where:
bonds (distance) C4'-P energy: -41.148
bonds (distance) P-C4' energy: -33.257
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: 2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -692.566986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.566986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.566986 (E_RNA)
where:
Base-Base interactions energy: -484.222
where: short stacking energy: -192.909
Base-Backbone interact. energy: 0.059
local terms energy: -208.404186
where:
bonds (distance) C4'-P energy: -47.198
bonds (distance) P-C4' energy: -41.917
flat angles C4'-P-C4' energy: -39.608
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -54.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -672.453523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.453523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.453523 (E_RNA)
where:
Base-Base interactions energy: -460.867
where: short stacking energy: -189.632
Base-Backbone interact. energy: -0.749
local terms energy: -210.837984
where:
bonds (distance) C4'-P energy: -38.280
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -43.151
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: -65.212
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: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -647.352341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.352341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.352341 (E_RNA)
where:
Base-Base interactions energy: -436.137
where: short stacking energy: -187.150
Base-Backbone interact. energy: -1.393
local terms energy: -209.822729
where:
bonds (distance) C4'-P energy: -37.177
bonds (distance) P-C4' energy: -35.534
flat angles C4'-P-C4' energy: -47.156
flat angles P-C4'-P energy: -31.965
tors. eta vs tors. theta energy: -57.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -610.323041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.323041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.323041 (E_RNA)
where:
Base-Base interactions energy: -416.292
where: short stacking energy: -185.655
Base-Backbone interact. energy: -0.865
local terms energy: -193.165089
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -38.785
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -53.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -522.319968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.319968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.319968 (E_RNA)
where:
Base-Base interactions energy: -330.086
where: short stacking energy: -154.822
Base-Backbone interact. energy: -0.975
local terms energy: -191.259623
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -38.943
flat angles C4'-P-C4' energy: -43.831
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -53.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -528.432892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.432892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.432892 (E_RNA)
where:
Base-Base interactions energy: -356.643
where: short stacking energy: -137.241
Base-Backbone interact. energy: -1.155
local terms energy: -170.635084
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -33.532
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -41.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -290.616978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.616978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.616978 (E_RNA)
where:
Base-Base interactions energy: -162.445
where: short stacking energy: -92.242
Base-Backbone interact. energy: -2.656
local terms energy: -125.515296
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -10.143
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: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -251.697157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.697157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.697157 (E_RNA)
where:
Base-Base interactions energy: -113.935
where: short stacking energy: -64.764
Base-Backbone interact. energy: -0.396
local terms energy: -137.365656
where:
bonds (distance) C4'-P energy: -43.887
bonds (distance) P-C4' energy: -37.890
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -7.625
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: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -220.224785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.224785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.224785 (E_RNA)
where:
Base-Base interactions energy: -100.164
where: short stacking energy: -58.957
Base-Backbone interact. energy: -1.629
local terms energy: -118.432505
where:
bonds (distance) C4'-P energy: -35.832
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -186.256633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.256633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.256633 (E_RNA)
where:
Base-Base interactions energy: -56.259
where: short stacking energy: -48.591
Base-Backbone interact. energy: 0.343
local terms energy: -130.340538
where:
bonds (distance) C4'-P energy: -36.993
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -684.784499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.784499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.784499 (E_RNA)
where:
Base-Base interactions energy: -468.335
where: short stacking energy: -188.777
Base-Backbone interact. energy: -1.333
local terms energy: -215.116425
where:
bonds (distance) C4'-P energy: -43.690
bonds (distance) P-C4' energy: -41.438
flat angles C4'-P-C4' energy: -48.287
flat angles P-C4'-P energy: -22.557
tors. eta vs tors. theta energy: -59.144
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: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -673.985674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.985674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.985674 (E_RNA)
where:
Base-Base interactions energy: -470.625
where: short stacking energy: -205.755
Base-Backbone interact. energy: -0.158
local terms energy: -203.202739
where:
bonds (distance) C4'-P energy: -40.867
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -41.697
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -62.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -619.560222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.560222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.560222 (E_RNA)
where:
Base-Base interactions energy: -405.178
where: short stacking energy: -180.452
Base-Backbone interact. energy: -0.735
local terms energy: -213.646441
where:
bonds (distance) C4'-P energy: -43.494
bonds (distance) P-C4' energy: -38.597
flat angles C4'-P-C4' energy: -43.801
flat angles P-C4'-P energy: -27.611
tors. eta vs tors. theta energy: -60.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -627.621786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.621786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.621786 (E_RNA)
where:
Base-Base interactions energy: -430.022
where: short stacking energy: -174.689
Base-Backbone interact. energy: -2.427
local terms energy: -195.172718
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -37.645
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -31.047
tors. eta vs tors. theta energy: -54.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -525.928837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.928837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.928837 (E_RNA)
where:
Base-Base interactions energy: -348.908
where: short stacking energy: -144.846
Base-Backbone interact. energy: 1.057
local terms energy: -178.078138
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -38.273
flat angles C4'-P-C4' energy: -45.838
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -38.474
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: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -504.936996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.936996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.936996 (E_RNA)
where:
Base-Base interactions energy: -318.723
where: short stacking energy: -149.673
Base-Backbone interact. energy: 0.843
local terms energy: -187.056335
where:
bonds (distance) C4'-P energy: -34.314
bonds (distance) P-C4' energy: -35.176
flat angles C4'-P-C4' energy: -49.089
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -45.994
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: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -293.343979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.343979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.343979 (E_RNA)
where:
Base-Base interactions energy: -158.676
where: short stacking energy: -97.234
Base-Backbone interact. energy: 0.902
local terms energy: -135.570364
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -42.338
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -291.118588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.118588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.118588 (E_RNA)
where:
Base-Base interactions energy: -167.714
where: short stacking energy: -82.210
Base-Backbone interact. energy: -0.176
local terms energy: -123.227848
where:
bonds (distance) C4'-P energy: -40.222
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -6.405
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: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -229.598146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.598146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.598146 (E_RNA)
where:
Base-Base interactions energy: -109.484
where: short stacking energy: -64.776
Base-Backbone interact. energy: 1.110
local terms energy: -121.224571
where:
bonds (distance) C4'-P energy: -34.830
bonds (distance) P-C4' energy: -41.428
flat angles C4'-P-C4' energy: -23.794
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -2.134
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: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -167.377626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.377626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.377626 (E_RNA)
where:
Base-Base interactions energy: -64.468
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.111
local terms energy: -102.797966
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -10.947
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: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -686.649212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.649212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.649212 (E_RNA)
where:
Base-Base interactions energy: -481.324
where: short stacking energy: -195.655
Base-Backbone interact. energy: -1.673
local terms energy: -203.652430
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -35.301
flat angles P-C4'-P energy: -25.852
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: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -682.999342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.999342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.999342 (E_RNA)
where:
Base-Base interactions energy: -475.854
where: short stacking energy: -192.403
Base-Backbone interact. energy: -0.790
local terms energy: -206.354767
where:
bonds (distance) C4'-P energy: -41.337
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -45.034
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -60.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -602.139346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.139346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.139346 (E_RNA)
where:
Base-Base interactions energy: -407.009
where: short stacking energy: -189.082
Base-Backbone interact. energy: -0.713
local terms energy: -194.418167
where:
bonds (distance) C4'-P energy: -36.710
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -38.355
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -56.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -642.936545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.936545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.936545 (E_RNA)
where:
Base-Base interactions energy: -450.461
where: short stacking energy: -185.600
Base-Backbone interact. energy: -1.635
local terms energy: -190.839970
where:
bonds (distance) C4'-P energy: -35.649
bonds (distance) P-C4' energy: -39.735
flat angles C4'-P-C4' energy: -38.478
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -56.675
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: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -580.512270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.512270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.512270 (E_RNA)
where:
Base-Base interactions energy: -387.964
where: short stacking energy: -171.545
Base-Backbone interact. energy: 0.275
local terms energy: -192.823195
where:
bonds (distance) C4'-P energy: -36.762
bonds (distance) P-C4' energy: -38.110
flat angles C4'-P-C4' energy: -42.492
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -51.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -496.981160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.981160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.981160 (E_RNA)
where:
Base-Base interactions energy: -317.890
where: short stacking energy: -147.540
Base-Backbone interact. energy: -1.486
local terms energy: -177.605777
where:
bonds (distance) C4'-P energy: -40.113
bonds (distance) P-C4' energy: -34.372
flat angles C4'-P-C4' energy: -30.186
flat angles P-C4'-P energy: -29.761
tors. eta vs tors. theta energy: -43.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -277.268998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.268998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.268998 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -85.853
Base-Backbone interact. energy: -0.489
local terms energy: -139.412816
where:
bonds (distance) C4'-P energy: -36.231
bonds (distance) P-C4' energy: -34.821
flat angles C4'-P-C4' energy: -38.723
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -285.316962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.316962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.316962 (E_RNA)
where:
Base-Base interactions energy: -137.900
where: short stacking energy: -81.191
Base-Backbone interact. energy: -0.513
local terms energy: -146.904413
where:
bonds (distance) C4'-P energy: -40.348
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -229.736403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.736403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.736403 (E_RNA)
where:
Base-Base interactions energy: -100.285
where: short stacking energy: -60.484
Base-Backbone interact. energy: -1.566
local terms energy: -127.885085
where:
bonds (distance) C4'-P energy: -35.457
bonds (distance) P-C4' energy: -43.399
flat angles C4'-P-C4' energy: -33.113
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -0.566
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: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -159.187818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.187818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.187818 (E_RNA)
where:
Base-Base interactions energy: -49.095
where: short stacking energy: -39.764
Base-Backbone interact. energy: 3.007
local terms energy: -113.099874
where:
bonds (distance) C4'-P energy: -35.468
bonds (distance) P-C4' energy: -27.782
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: 3.217
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: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -679.992140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.992140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.992140 (E_RNA)
where:
Base-Base interactions energy: -478.797
where: short stacking energy: -195.195
Base-Backbone interact. energy: -1.059
local terms energy: -200.136659
where:
bonds (distance) C4'-P energy: -44.767
bonds (distance) P-C4' energy: -35.045
flat angles C4'-P-C4' energy: -40.755
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -57.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -669.783048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.783048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.783048 (E_RNA)
where:
Base-Base interactions energy: -474.648
where: short stacking energy: -176.749
Base-Backbone interact. energy: -1.181
local terms energy: -193.953993
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -43.006
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -51.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -652.492967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.492967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.492967 (E_RNA)
where:
Base-Base interactions energy: -438.592
where: short stacking energy: -175.582
Base-Backbone interact. energy: -0.416
local terms energy: -213.484955
where:
bonds (distance) C4'-P energy: -45.751
bonds (distance) P-C4' energy: -46.337
flat angles C4'-P-C4' energy: -42.763
flat angles P-C4'-P energy: -23.183
tors. eta vs tors. theta energy: -55.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -597.005648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.005648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.005648 (E_RNA)
where:
Base-Base interactions energy: -397.145
where: short stacking energy: -196.172
Base-Backbone interact. energy: 0.540
local terms energy: -200.400912
where:
bonds (distance) C4'-P energy: -35.616
bonds (distance) P-C4' energy: -37.594
flat angles C4'-P-C4' energy: -37.831
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: -57.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -572.381359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.381359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.381359 (E_RNA)
where:
Base-Base interactions energy: -396.077
where: short stacking energy: -161.681
Base-Backbone interact. energy: -1.080
local terms energy: -175.224857
where:
bonds (distance) C4'-P energy: -37.866
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -39.590
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -44.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -501.767051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.767051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.767051 (E_RNA)
where:
Base-Base interactions energy: -321.765
where: short stacking energy: -159.010
Base-Backbone interact. energy: -0.658
local terms energy: -179.344696
where:
bonds (distance) C4'-P energy: -36.290
bonds (distance) P-C4' energy: -36.461
flat angles C4'-P-C4' energy: -41.475
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -45.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -314.221187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.221187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.221187 (E_RNA)
where:
Base-Base interactions energy: -179.066
where: short stacking energy: -100.793
Base-Backbone interact. energy: -0.298
local terms energy: -134.857077
where:
bonds (distance) C4'-P energy: -34.847
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -22.807
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -277.492406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.492406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.492406 (E_RNA)
where:
Base-Base interactions energy: -126.018
where: short stacking energy: -62.003
Base-Backbone interact. energy: 0.611
local terms energy: -152.085504
where:
bonds (distance) C4'-P energy: -39.328
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -39.870
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -171.130769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.130769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.130769 (E_RNA)
where:
Base-Base interactions energy: -57.899
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.480
local terms energy: -112.751194
where:
bonds (distance) C4'-P energy: -34.880
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -29.146
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: 7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -185.819599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.819599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.819599 (E_RNA)
where:
Base-Base interactions energy: -83.342
where: short stacking energy: -53.290
Base-Backbone interact. energy: -0.551
local terms energy: -101.926772
where:
bonds (distance) C4'-P energy: -30.580
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -20.255
tors. eta vs tors. theta energy: 2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -694.479534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.479534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.479534 (E_RNA)
where:
Base-Base interactions energy: -480.758
where: short stacking energy: -193.299
Base-Backbone interact. energy: -2.480
local terms energy: -211.241801
where:
bonds (distance) C4'-P energy: -36.262
bonds (distance) P-C4' energy: -35.454
flat angles C4'-P-C4' energy: -45.178
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -64.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -668.848283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.848283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.848283 (E_RNA)
where:
Base-Base interactions energy: -458.427
where: short stacking energy: -188.905
Base-Backbone interact. energy: 0.233
local terms energy: -210.653857
where:
bonds (distance) C4'-P energy: -37.986
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -51.550
flat angles P-C4'-P energy: -27.290
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -650.469132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.469132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.469132 (E_RNA)
where:
Base-Base interactions energy: -458.365
where: short stacking energy: -166.390
Base-Backbone interact. energy: 0.833
local terms energy: -192.937398
where:
bonds (distance) C4'-P energy: -44.753
bonds (distance) P-C4' energy: -36.246
flat angles C4'-P-C4' energy: -39.857
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -51.526
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: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -605.170761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.170761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.170761 (E_RNA)
where:
Base-Base interactions energy: -401.690
where: short stacking energy: -177.481
Base-Backbone interact. energy: -0.767
local terms energy: -202.713660
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -41.523
flat angles C4'-P-C4' energy: -39.034
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -59.656
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: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -582.944772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.944772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.944772 (E_RNA)
where:
Base-Base interactions energy: -400.531
where: short stacking energy: -171.312
Base-Backbone interact. energy: -0.822
local terms energy: -181.591342
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -40.106
flat angles C4'-P-C4' energy: -37.664
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -48.767
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: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -486.645558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.645558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.645558 (E_RNA)
where:
Base-Base interactions energy: -305.718
where: short stacking energy: -151.654
Base-Backbone interact. energy: 1.962
local terms energy: -182.888925
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -44.064
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -43.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -334.353526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.353526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.353526 (E_RNA)
where:
Base-Base interactions energy: -204.722
where: short stacking energy: -92.526
Base-Backbone interact. energy: -2.196
local terms energy: -127.435394
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -31.681
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -12.492
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: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -334.346271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.346271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.346271 (E_RNA)
where:
Base-Base interactions energy: -194.873
where: short stacking energy: -84.632
Base-Backbone interact. energy: 0.535
local terms energy: -140.008785
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -41.436
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -28.850
tors. eta vs tors. theta energy: -13.167
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: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -182.616060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.616060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.616060 (E_RNA)
where:
Base-Base interactions energy: -54.483
where: short stacking energy: -54.013
Base-Backbone interact. energy: 1.657
local terms energy: -129.790180
where:
bonds (distance) C4'-P energy: -40.325
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -29.471
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -192.660751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.660751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.660751 (E_RNA)
where:
Base-Base interactions energy: -92.996
where: short stacking energy: -56.607
Base-Backbone interact. energy: -2.379
local terms energy: -97.285721
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -10.707
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: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -690.628163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.628163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.628163 (E_RNA)
where:
Base-Base interactions energy: -478.719
where: short stacking energy: -199.182
Base-Backbone interact. energy: -0.343
local terms energy: -211.565939
where:
bonds (distance) C4'-P energy: -36.929
bonds (distance) P-C4' energy: -39.554
flat angles C4'-P-C4' energy: -45.695
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -61.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -655.903743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.903743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.903743 (E_RNA)
where:
Base-Base interactions energy: -448.669
where: short stacking energy: -184.889
Base-Backbone interact. energy: -0.575
local terms energy: -206.660422
where:
bonds (distance) C4'-P energy: -35.843
bonds (distance) P-C4' energy: -47.213
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -53.364
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: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -667.026431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.026431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.026431 (E_RNA)
where:
Base-Base interactions energy: -476.733
where: short stacking energy: -183.565
Base-Backbone interact. energy: -1.874
local terms energy: -188.419058
where:
bonds (distance) C4'-P energy: -38.906
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -37.042
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -52.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -585.606844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.606844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.606844 (E_RNA)
where:
Base-Base interactions energy: -401.071
where: short stacking energy: -177.796
Base-Backbone interact. energy: -0.364
local terms energy: -184.170894
where:
bonds (distance) C4'-P energy: -28.036
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -41.636
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -55.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -569.301392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.301392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.301392 (E_RNA)
where:
Base-Base interactions energy: -386.490
where: short stacking energy: -152.667
Base-Backbone interact. energy: 1.547
local terms energy: -184.358344
where:
bonds (distance) C4'-P energy: -37.000
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -35.818
flat angles P-C4'-P energy: -29.743
tors. eta vs tors. theta energy: -42.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -495.059347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.059347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.059347 (E_RNA)
where:
Base-Base interactions energy: -315.471
where: short stacking energy: -138.699
Base-Backbone interact. energy: -0.692
local terms energy: -178.896261
where:
bonds (distance) C4'-P energy: -36.547
bonds (distance) P-C4' energy: -28.976
flat angles C4'-P-C4' energy: -43.081
flat angles P-C4'-P energy: -31.899
tors. eta vs tors. theta energy: -38.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -376.146359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.146359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.146359 (E_RNA)
where:
Base-Base interactions energy: -218.659
where: short stacking energy: -92.700
Base-Backbone interact. energy: 0.630
local terms energy: -158.118238
where:
bonds (distance) C4'-P energy: -42.134
bonds (distance) P-C4' energy: -33.465
flat angles C4'-P-C4' energy: -37.007
flat angles P-C4'-P energy: -26.003
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: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -306.209378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.209378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.209378 (E_RNA)
where:
Base-Base interactions energy: -197.272
where: short stacking energy: -78.097
Base-Backbone interact. energy: 0.884
local terms energy: -109.821370
where:
bonds (distance) C4'-P energy: -36.301
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -9.833
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: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -173.684196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.684196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.684196 (E_RNA)
where:
Base-Base interactions energy: -59.402
where: short stacking energy: -56.392
Base-Backbone interact. energy: 0.719
local terms energy: -115.001086
where:
bonds (distance) C4'-P energy: -35.812
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: 0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -166.420820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.420820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.420820 (E_RNA)
where:
Base-Base interactions energy: -63.519
where: short stacking energy: -54.787
Base-Backbone interact. energy: -0.916
local terms energy: -101.985431
where:
bonds (distance) C4'-P energy: -27.291
bonds (distance) P-C4' energy: -31.855
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: 4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -688.393852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.393852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.393852 (E_RNA)
where:
Base-Base interactions energy: -469.848
where: short stacking energy: -193.299
Base-Backbone interact. energy: -1.508
local terms energy: -217.038061
where:
bonds (distance) C4'-P energy: -40.328
bonds (distance) P-C4' energy: -43.802
flat angles C4'-P-C4' energy: -39.185
flat angles P-C4'-P energy: -32.095
tors. eta vs tors. theta energy: -61.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -680.818152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.818152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.818152 (E_RNA)
where:
Base-Base interactions energy: -477.844
where: short stacking energy: -188.229
Base-Backbone interact. energy: -1.739
local terms energy: -201.234774
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -37.374
flat angles C4'-P-C4' energy: -40.441
flat angles P-C4'-P energy: -28.322
tors. eta vs tors. theta energy: -58.732
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: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -658.075525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.075525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.075525 (E_RNA)
where:
Base-Base interactions energy: -451.243
where: short stacking energy: -183.422
Base-Backbone interact. energy: -1.185
local terms energy: -205.647756
where:
bonds (distance) C4'-P energy: -40.762
bonds (distance) P-C4' energy: -41.221
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -25.012
tors. eta vs tors. theta energy: -62.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -609.580822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.580822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.580822 (E_RNA)
where:
Base-Base interactions energy: -416.250
where: short stacking energy: -198.191
Base-Backbone interact. energy: -0.404
local terms energy: -192.926388
where:
bonds (distance) C4'-P energy: -25.542
bonds (distance) P-C4' energy: -27.419
flat angles C4'-P-C4' energy: -47.987
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -63.338
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: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -560.789835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.789835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.789835 (E_RNA)
where:
Base-Base interactions energy: -375.030
where: short stacking energy: -139.488
Base-Backbone interact. energy: -1.223
local terms energy: -184.536708
where:
bonds (distance) C4'-P energy: -43.043
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -36.477
flat angles P-C4'-P energy: -31.174
tors. eta vs tors. theta energy: -42.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -525.471760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.471760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.471760 (E_RNA)
where:
Base-Base interactions energy: -329.766
where: short stacking energy: -155.776
Base-Backbone interact. energy: 0.631
local terms energy: -196.336611
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -37.486
flat angles C4'-P-C4' energy: -37.368
flat angles P-C4'-P energy: -29.894
tors. eta vs tors. theta energy: -48.178
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: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -378.511187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.511187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.511187 (E_RNA)
where:
Base-Base interactions energy: -218.669
where: short stacking energy: -87.037
Base-Backbone interact. energy: -0.816
local terms energy: -159.026758
where:
bonds (distance) C4'-P energy: -31.864
bonds (distance) P-C4' energy: -41.484
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -29.492
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -306.040855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.040855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.040855 (E_RNA)
where:
Base-Base interactions energy: -164.659
where: short stacking energy: -92.290
Base-Backbone interact. energy: -0.190
local terms energy: -141.191738
where:
bonds (distance) C4'-P energy: -32.823
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -177.744045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.744045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.744045 (E_RNA)
where:
Base-Base interactions energy: -62.772
where: short stacking energy: -51.375
Base-Backbone interact. energy: 0.535
local terms energy: -115.507463
where:
bonds (distance) C4'-P energy: -35.270
bonds (distance) P-C4' energy: -39.306
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: 1.789
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: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -176.611462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.611462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.611462 (E_RNA)
where:
Base-Base interactions energy: -60.613
where: short stacking energy: -56.227
Base-Backbone interact. energy: -0.277
local terms energy: -115.720875
where:
bonds (distance) C4'-P energy: -38.781
bonds (distance) P-C4' energy: -36.044
flat angles C4'-P-C4' energy: -35.785
flat angles P-C4'-P energy: -4.124
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: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -697.858995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.858995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.858995 (E_RNA)
where:
Base-Base interactions energy: -475.361
where: short stacking energy: -188.816
Base-Backbone interact. energy: -0.694
local terms energy: -221.804236
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -42.613
flat angles C4'-P-C4' energy: -44.168
flat angles P-C4'-P energy: -30.219
tors. eta vs tors. theta energy: -61.997
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: 242
Temperature: 0.950000
Total energy: -671.294219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.294219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.294219 (E_RNA)
where:
Base-Base interactions energy: -463.170
where: short stacking energy: -182.505
Base-Backbone interact. energy: -1.551
local terms energy: -206.573781
where:
bonds (distance) C4'-P energy: -37.248
bonds (distance) P-C4' energy: -42.511
flat angles C4'-P-C4' energy: -43.217
flat angles P-C4'-P energy: -30.452
tors. eta vs tors. theta energy: -53.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -652.034891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.034891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.034891 (E_RNA)
where:
Base-Base interactions energy: -443.658
where: short stacking energy: -180.099
Base-Backbone interact. energy: -1.248
local terms energy: -207.128956
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -40.956
flat angles C4'-P-C4' energy: -38.697
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: -63.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -591.223930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.223930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.223930 (E_RNA)
where:
Base-Base interactions energy: -395.770
where: short stacking energy: -172.684
Base-Backbone interact. energy: -0.741
local terms energy: -194.713319
where:
bonds (distance) C4'-P energy: -31.363
bonds (distance) P-C4' energy: -39.043
flat angles C4'-P-C4' energy: -43.136
flat angles P-C4'-P energy: -27.935
tors. eta vs tors. theta energy: -53.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -542.570402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.570402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.570402 (E_RNA)
where:
Base-Base interactions energy: -343.818
where: short stacking energy: -157.580
Base-Backbone interact. energy: -1.235
local terms energy: -197.517824
where:
bonds (distance) C4'-P energy: -34.132
bonds (distance) P-C4' energy: -42.270
flat angles C4'-P-C4' energy: -42.597
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: -48.323
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: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -531.730608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.730608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.730608 (E_RNA)
where:
Base-Base interactions energy: -371.501
where: short stacking energy: -160.083
Base-Backbone interact. energy: -0.780
local terms energy: -159.449881
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -31.457
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -41.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -342.979695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.979695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.979695 (E_RNA)
where:
Base-Base interactions energy: -210.965
where: short stacking energy: -100.773
Base-Backbone interact. energy: 2.080
local terms energy: -134.094386
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -285.682871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.682871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.682871 (E_RNA)
where:
Base-Base interactions energy: -159.320
where: short stacking energy: -93.347
Base-Backbone interact. energy: 0.549
local terms energy: -126.911257
where:
bonds (distance) C4'-P energy: -26.962
bonds (distance) P-C4' energy: -40.998
flat angles C4'-P-C4' energy: -30.494
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -185.113072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.113072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.113072 (E_RNA)
where:
Base-Base interactions energy: -68.184
where: short stacking energy: -55.020
Base-Backbone interact. energy: -1.548
local terms energy: -115.381299
where:
bonds (distance) C4'-P energy: -36.006
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -33.818
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: 1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -187.593299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.593299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.593299 (E_RNA)
where:
Base-Base interactions energy: -68.880
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.837
local terms energy: -117.876549
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -27.520
flat angles C4'-P-C4' energy: -32.236
flat angles P-C4'-P energy: -13.583
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: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -699.383878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.383878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.383878 (E_RNA)
where:
Base-Base interactions energy: -478.357
where: short stacking energy: -207.377
Base-Backbone interact. energy: -0.240
local terms energy: -220.786415
where:
bonds (distance) C4'-P energy: -39.645
bonds (distance) P-C4' energy: -38.983
flat angles C4'-P-C4' energy: -46.429
flat angles P-C4'-P energy: -32.711
tors. eta vs tors. theta energy: -63.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -675.553669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.553669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.553669 (E_RNA)
where:
Base-Base interactions energy: -465.431
where: short stacking energy: -173.979
Base-Backbone interact. energy: -1.814
local terms energy: -208.308794
where:
bonds (distance) C4'-P energy: -40.480
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -44.437
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -53.396
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: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -663.410111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.410111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.410111 (E_RNA)
where:
Base-Base interactions energy: -462.574
where: short stacking energy: -201.572
Base-Backbone interact. energy: -1.773
local terms energy: -199.063260
where:
bonds (distance) C4'-P energy: -38.994
bonds (distance) P-C4' energy: -41.440
flat angles C4'-P-C4' energy: -34.077
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -60.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -592.544283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.544283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.544283 (E_RNA)
where:
Base-Base interactions energy: -386.035
where: short stacking energy: -173.146
Base-Backbone interact. energy: -0.284
local terms energy: -206.225375
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -44.123
flat angles P-C4'-P energy: -31.699
tors. eta vs tors. theta energy: -53.838
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: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -521.117886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.117886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.117886 (E_RNA)
where:
Base-Base interactions energy: -335.717
where: short stacking energy: -159.090
Base-Backbone interact. energy: -0.396
local terms energy: -185.005044
where:
bonds (distance) C4'-P energy: -30.288
bonds (distance) P-C4' energy: -39.332
flat angles C4'-P-C4' energy: -44.485
flat angles P-C4'-P energy: -24.450
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -552.171652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.171652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.171652 (E_RNA)
where:
Base-Base interactions energy: -377.183
where: short stacking energy: -158.848
Base-Backbone interact. energy: -0.485
local terms energy: -174.503553
where:
bonds (distance) C4'-P energy: -38.192
bonds (distance) P-C4' energy: -31.575
flat angles C4'-P-C4' energy: -42.327
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -41.531
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: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -373.989616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.989616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.989616 (E_RNA)
where:
Base-Base interactions energy: -213.411
where: short stacking energy: -106.438
Base-Backbone interact. energy: -0.380
local terms energy: -160.199066
where:
bonds (distance) C4'-P energy: -32.064
bonds (distance) P-C4' energy: -45.349
flat angles C4'-P-C4' energy: -39.409
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -19.653
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: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -289.314685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.314685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.314685 (E_RNA)
where:
Base-Base interactions energy: -148.002
where: short stacking energy: -73.378
Base-Backbone interact. energy: -0.624
local terms energy: -140.689080
where:
bonds (distance) C4'-P energy: -38.170
bonds (distance) P-C4' energy: -37.209
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -7.705
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: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -214.361259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.361259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.361259 (E_RNA)
where:
Base-Base interactions energy: -89.753
where: short stacking energy: -58.842
Base-Backbone interact. energy: -1.004
local terms energy: -123.603771
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -38.857
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -180.968731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.968731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.968731 (E_RNA)
where:
Base-Base interactions energy: -76.544
where: short stacking energy: -38.941
Base-Backbone interact. energy: -0.477
local terms energy: -103.947730
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: 3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -695.138401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.138401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.138401 (E_RNA)
where:
Base-Base interactions energy: -475.070
where: short stacking energy: -191.616
Base-Backbone interact. energy: -0.228
local terms energy: -219.840828
where:
bonds (distance) C4'-P energy: -38.110
bonds (distance) P-C4' energy: -41.033
flat angles C4'-P-C4' energy: -46.820
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: -62.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -668.129648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.129648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.129648 (E_RNA)
where:
Base-Base interactions energy: -475.910
where: short stacking energy: -180.232
Base-Backbone interact. energy: -1.810
local terms energy: -190.410137
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -33.394
flat angles C4'-P-C4' energy: -43.776
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -50.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -675.378544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.378544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.378544 (E_RNA)
where:
Base-Base interactions energy: -460.909
where: short stacking energy: -192.555
Base-Backbone interact. energy: -1.151
local terms energy: -213.318911
where:
bonds (distance) C4'-P energy: -40.204
bonds (distance) P-C4' energy: -44.748
flat angles C4'-P-C4' energy: -42.844
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -63.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -593.136404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.136404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.136404 (E_RNA)
where:
Base-Base interactions energy: -402.454
where: short stacking energy: -176.119
Base-Backbone interact. energy: 0.435
local terms energy: -191.117934
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -40.665
flat angles C4'-P-C4' energy: -39.782
flat angles P-C4'-P energy: -27.428
tors. eta vs tors. theta energy: -50.339
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: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -560.169559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.169559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.169559 (E_RNA)
where:
Base-Base interactions energy: -381.654
where: short stacking energy: -152.443
Base-Backbone interact. energy: 2.004
local terms energy: -180.518712
where:
bonds (distance) C4'-P energy: -33.848
bonds (distance) P-C4' energy: -41.376
flat angles C4'-P-C4' energy: -39.668
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -46.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -481.261823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.261823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.261823 (E_RNA)
where:
Base-Base interactions energy: -310.872
where: short stacking energy: -145.171
Base-Backbone interact. energy: -1.142
local terms energy: -169.248313
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -36.413
flat angles C4'-P-C4' energy: -33.208
flat angles P-C4'-P energy: -29.595
tors. eta vs tors. theta energy: -36.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -353.907001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.907001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.907001 (E_RNA)
where:
Base-Base interactions energy: -199.419
where: short stacking energy: -93.876
Base-Backbone interact. energy: 3.337
local terms energy: -157.825204
where:
bonds (distance) C4'-P energy: -29.411
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -37.398
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -33.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -296.059679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.059679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.059679 (E_RNA)
where:
Base-Base interactions energy: -159.015
where: short stacking energy: -66.888
Base-Backbone interact. energy: -1.650
local terms energy: -135.394063
where:
bonds (distance) C4'-P energy: -35.405
bonds (distance) P-C4' energy: -32.850
flat angles C4'-P-C4' energy: -41.553
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -187.309721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.309721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.309721 (E_RNA)
where:
Base-Base interactions energy: -57.257
where: short stacking energy: -46.879
Base-Backbone interact. energy: 0.250
local terms energy: -130.302700
where:
bonds (distance) C4'-P energy: -38.054
bonds (distance) P-C4' energy: -36.320
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -26.862
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -174.641776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.641776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.641776 (E_RNA)
where:
Base-Base interactions energy: -60.695
where: short stacking energy: -55.885
Base-Backbone interact. energy: 0.558
local terms energy: -114.505066
where:
bonds (distance) C4'-P energy: -39.990
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -35.737
flat angles P-C4'-P energy: -17.459
tors. eta vs tors. theta energy: 7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -688.163530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.163530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.163530 (E_RNA)
where:
Base-Base interactions energy: -465.036
where: short stacking energy: -187.344
Base-Backbone interact. energy: 1.640
local terms energy: -224.766583
where:
bonds (distance) C4'-P energy: -42.228
bonds (distance) P-C4' energy: -44.621
flat angles C4'-P-C4' energy: -49.387
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -62.561
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: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -678.284529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.284529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.284529 (E_RNA)
where:
Base-Base interactions energy: -470.607
where: short stacking energy: -195.831
Base-Backbone interact. energy: -2.400
local terms energy: -205.278375
where:
bonds (distance) C4'-P energy: -37.189
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -43.473
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -61.110
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: 245
Temperature: 1.000000
Total energy: -655.329215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.329215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.329215 (E_RNA)
where:
Base-Base interactions energy: -453.758
where: short stacking energy: -173.412
Base-Backbone interact. energy: -1.414
local terms energy: -200.156924
where:
bonds (distance) C4'-P energy: -44.621
bonds (distance) P-C4' energy: -36.385
flat angles C4'-P-C4' energy: -40.089
flat angles P-C4'-P energy: -22.527
tors. eta vs tors. theta energy: -56.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -587.254341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.254341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.254341 (E_RNA)
where:
Base-Base interactions energy: -386.797
where: short stacking energy: -177.612
Base-Backbone interact. energy: -0.020
local terms energy: -200.438255
where:
bonds (distance) C4'-P energy: -38.837
bonds (distance) P-C4' energy: -37.043
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -30.976
tors. eta vs tors. theta energy: -58.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -544.060734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.060734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.060734 (E_RNA)
where:
Base-Base interactions energy: -350.010
where: short stacking energy: -147.227
Base-Backbone interact. energy: 0.267
local terms energy: -194.317925
where:
bonds (distance) C4'-P energy: -40.112
bonds (distance) P-C4' energy: -38.346
flat angles C4'-P-C4' energy: -39.742
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -43.874
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: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -474.451724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.451724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.451724 (E_RNA)
where:
Base-Base interactions energy: -309.410
where: short stacking energy: -138.394
Base-Backbone interact. energy: -0.322
local terms energy: -164.720253
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -37.730
flat angles C4'-P-C4' energy: -35.775
flat angles P-C4'-P energy: -22.540
tors. eta vs tors. theta energy: -46.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -314.028737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.028737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.028737 (E_RNA)
where:
Base-Base interactions energy: -163.699
where: short stacking energy: -84.372
Base-Backbone interact. energy: -0.605
local terms energy: -149.724921
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -39.863
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -307.953165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.953165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.953165 (E_RNA)
where:
Base-Base interactions energy: -159.149
where: short stacking energy: -88.219
Base-Backbone interact. energy: -0.304
local terms energy: -148.500325
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -20.014
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -184.879552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.879552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.879552 (E_RNA)
where:
Base-Base interactions energy: -69.019
where: short stacking energy: -42.706
Base-Backbone interact. energy: -1.859
local terms energy: -114.002299
where:
bonds (distance) C4'-P energy: -31.675
bonds (distance) P-C4' energy: -38.709
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: 3.962
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: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -160.519639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.519639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.519639 (E_RNA)
where:
Base-Base interactions energy: -55.754
where: short stacking energy: -31.983
Base-Backbone interact. energy: 0.187
local terms energy: -104.952164
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: 15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -689.357273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.357273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.357273 (E_RNA)
where:
Base-Base interactions energy: -470.575
where: short stacking energy: -188.258
Base-Backbone interact. energy: -1.184
local terms energy: -217.598543
where:
bonds (distance) C4'-P energy: -44.820
bonds (distance) P-C4' energy: -38.027
flat angles C4'-P-C4' energy: -47.318
flat angles P-C4'-P energy: -26.032
tors. eta vs tors. theta energy: -61.402
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: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -678.825774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.825774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.825774 (E_RNA)
where:
Base-Base interactions energy: -467.798
where: short stacking energy: -190.720
Base-Backbone interact. energy: -0.833
local terms energy: -210.194782
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -44.684
flat angles P-C4'-P energy: -27.070
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: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -662.147619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.147619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.147619 (E_RNA)
where:
Base-Base interactions energy: -458.730
where: short stacking energy: -178.150
Base-Backbone interact. energy: -1.677
local terms energy: -201.741228
where:
bonds (distance) C4'-P energy: -42.406
bonds (distance) P-C4' energy: -44.227
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -28.334
tors. eta vs tors. theta energy: -53.586
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: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -590.527983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.527983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.527983 (E_RNA)
where:
Base-Base interactions energy: -397.076
where: short stacking energy: -174.955
Base-Backbone interact. energy: -0.169
local terms energy: -193.282679
where:
bonds (distance) C4'-P energy: -36.670
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -43.533
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -49.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -527.772281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.772281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.772281 (E_RNA)
where:
Base-Base interactions energy: -337.537
where: short stacking energy: -152.188
Base-Backbone interact. energy: -0.125
local terms energy: -190.109384
where:
bonds (distance) C4'-P energy: -35.778
bonds (distance) P-C4' energy: -38.452
flat angles C4'-P-C4' energy: -36.631
flat angles P-C4'-P energy: -26.906
tors. eta vs tors. theta energy: -52.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -504.530838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.530838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.530838 (E_RNA)
where:
Base-Base interactions energy: -316.344
where: short stacking energy: -160.598
Base-Backbone interact. energy: -2.220
local terms energy: -185.966476
where:
bonds (distance) C4'-P energy: -39.091
bonds (distance) P-C4' energy: -32.435
flat angles C4'-P-C4' energy: -39.724
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: -50.066
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: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -293.646377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.646377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.646377 (E_RNA)
where:
Base-Base interactions energy: -160.799
where: short stacking energy: -84.813
Base-Backbone interact. energy: -0.415
local terms energy: -132.432246
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -33.434
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -28.461
tors. eta vs tors. theta energy: -9.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -318.778484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.778484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.778484 (E_RNA)
where:
Base-Base interactions energy: -178.056
where: short stacking energy: -86.450
Base-Backbone interact. energy: -0.871
local terms energy: -139.851390
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -29.204
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -215.582498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.582498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.582498 (E_RNA)
where:
Base-Base interactions energy: -98.040
where: short stacking energy: -65.130
Base-Backbone interact. energy: 0.666
local terms energy: -118.209204
where:
bonds (distance) C4'-P energy: -25.867
bonds (distance) P-C4' energy: -33.610
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -4.720
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: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -174.613207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.613207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.613207 (E_RNA)
where:
Base-Base interactions energy: -59.078
where: short stacking energy: -42.932
Base-Backbone interact. energy: -0.525
local terms energy: -115.010649
where:
bonds (distance) C4'-P energy: -35.927
bonds (distance) P-C4' energy: -36.400
flat angles C4'-P-C4' energy: -32.085
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: 6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -708.172793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.172793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.172793 (E_RNA)
where:
Base-Base interactions energy: -487.712
where: short stacking energy: -204.999
Base-Backbone interact. energy: -1.178
local terms energy: -219.283441
where:
bonds (distance) C4'-P energy: -39.337
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -50.529
flat angles P-C4'-P energy: -31.650
tors. eta vs tors. theta energy: -62.826
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: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -670.870548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.870548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.870548 (E_RNA)
where:
Base-Base interactions energy: -450.824
where: short stacking energy: -180.827
Base-Backbone interact. energy: -0.360
local terms energy: -219.686465
where:
bonds (distance) C4'-P energy: -44.677
bonds (distance) P-C4' energy: -39.557
flat angles C4'-P-C4' energy: -43.585
flat angles P-C4'-P energy: -36.649
tors. eta vs tors. theta energy: -55.219
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: 247
Temperature: 1.000000
Total energy: -640.449099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.449099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.449099 (E_RNA)
where:
Base-Base interactions energy: -444.386
where: short stacking energy: -179.692
Base-Backbone interact. energy: -1.397
local terms energy: -194.665433
where:
bonds (distance) C4'-P energy: -40.345
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -43.161
flat angles P-C4'-P energy: -30.351
tors. eta vs tors. theta energy: -52.027
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: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -572.772102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.772102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.772102 (E_RNA)
where:
Base-Base interactions energy: -386.998
where: short stacking energy: -185.487
Base-Backbone interact. energy: -0.075
local terms energy: -185.698717
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -40.789
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -53.188
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: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -567.314021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.314021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.314021 (E_RNA)
where:
Base-Base interactions energy: -376.052
where: short stacking energy: -180.218
Base-Backbone interact. energy: -0.865
local terms energy: -190.396259
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -31.707
flat angles C4'-P-C4' energy: -44.667
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -46.656
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: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -490.174710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.174710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.174710 (E_RNA)
where:
Base-Base interactions energy: -307.031
where: short stacking energy: -145.531
Base-Backbone interact. energy: -0.429
local terms energy: -182.714050
where:
bonds (distance) C4'-P energy: -34.252
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -37.928
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -44.587
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: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -294.333491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.333491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.333491 (E_RNA)
where:
Base-Base interactions energy: -157.517
where: short stacking energy: -78.727
Base-Backbone interact. energy: 0.241
local terms energy: -137.057661
where:
bonds (distance) C4'-P energy: -37.518
bonds (distance) P-C4' energy: -39.774
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -219.289426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.289426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.289426 (E_RNA)
where:
Base-Base interactions energy: -78.359
where: short stacking energy: -54.063
Base-Backbone interact. energy: -0.153
local terms energy: -140.776766
where:
bonds (distance) C4'-P energy: -35.822
bonds (distance) P-C4' energy: -35.007
flat angles C4'-P-C4' energy: -35.723
flat angles P-C4'-P energy: -32.196
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -253.489107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.489107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.489107 (E_RNA)
where:
Base-Base interactions energy: -130.674
where: short stacking energy: -75.702
Base-Backbone interact. energy: -0.596
local terms energy: -122.219837
where:
bonds (distance) C4'-P energy: -29.639
bonds (distance) P-C4' energy: -39.612
flat angles C4'-P-C4' energy: -25.917
flat angles P-C4'-P energy: -20.505
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: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -175.553874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.553874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.553874 (E_RNA)
where:
Base-Base interactions energy: -73.344
where: short stacking energy: -72.259
Base-Backbone interact. energy: -1.138
local terms energy: -101.071898
where:
bonds (distance) C4'-P energy: -23.685
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -2.918
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: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -690.125716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.125716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.125716 (E_RNA)
where:
Base-Base interactions energy: -484.095
where: short stacking energy: -206.916
Base-Backbone interact. energy: -0.154
local terms energy: -205.876884
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -42.430
flat angles P-C4'-P energy: -31.338
tors. eta vs tors. theta energy: -58.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -675.940458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.940458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.940458 (E_RNA)
where:
Base-Base interactions energy: -469.426
where: short stacking energy: -191.922
Base-Backbone interact. energy: -0.179
local terms energy: -206.335702
where:
bonds (distance) C4'-P energy: -42.525
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -41.680
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -62.910
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: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -652.469324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.469324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.469324 (E_RNA)
where:
Base-Base interactions energy: -469.290
where: short stacking energy: -177.903
Base-Backbone interact. energy: -2.158
local terms energy: -181.021287
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: -48.721
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: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -565.217818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.217818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.217818 (E_RNA)
where:
Base-Base interactions energy: -385.793
where: short stacking energy: -171.184
Base-Backbone interact. energy: -0.898
local terms energy: -178.527036
where:
bonds (distance) C4'-P energy: -39.580
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -41.414
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -46.678
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: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -578.809809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.809809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.809809 (E_RNA)
where:
Base-Base interactions energy: -369.632
where: short stacking energy: -164.376
Base-Backbone interact. energy: 0.167
local terms energy: -209.344699
where:
bonds (distance) C4'-P energy: -44.054
bonds (distance) P-C4' energy: -39.931
flat angles C4'-P-C4' energy: -41.474
flat angles P-C4'-P energy: -32.850
tors. eta vs tors. theta energy: -51.036
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: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -501.342214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.342214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.342214 (E_RNA)
where:
Base-Base interactions energy: -310.935
where: short stacking energy: -157.975
Base-Backbone interact. energy: -1.003
local terms energy: -189.403999
where:
bonds (distance) C4'-P energy: -36.945
bonds (distance) P-C4' energy: -37.001
flat angles C4'-P-C4' energy: -41.476
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -50.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -286.014790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.014790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.014790 (E_RNA)
where:
Base-Base interactions energy: -160.070
where: short stacking energy: -92.637
Base-Backbone interact. energy: -1.541
local terms energy: -124.403434
where:
bonds (distance) C4'-P energy: -28.155
bonds (distance) P-C4' energy: -37.222
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -21.066
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: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -209.176193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.176193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.176193 (E_RNA)
where:
Base-Base interactions energy: -87.858
where: short stacking energy: -68.511
Base-Backbone interact. energy: -1.172
local terms energy: -120.145731
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -34.768
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -271.304500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.304500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.304500 (E_RNA)
where:
Base-Base interactions energy: -144.469
where: short stacking energy: -74.007
Base-Backbone interact. energy: 0.269
local terms energy: -127.104321
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -43.006
flat angles C4'-P-C4' energy: -26.092
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -167.190976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.190976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.190976 (E_RNA)
where:
Base-Base interactions energy: -55.868
where: short stacking energy: -40.006
Base-Backbone interact. energy: 0.226
local terms energy: -111.548718
where:
bonds (distance) C4'-P energy: -32.297
bonds (distance) P-C4' energy: -38.995
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -5.207
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: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -693.613285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.613285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.613285 (E_RNA)
where:
Base-Base interactions energy: -479.350
where: short stacking energy: -205.675
Base-Backbone interact. energy: -1.416
local terms energy: -212.846880
where:
bonds (distance) C4'-P energy: -41.460
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -43.154
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -60.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -680.350963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.350963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.350963 (E_RNA)
where:
Base-Base interactions energy: -465.590
where: short stacking energy: -188.225
Base-Backbone interact. energy: -0.548
local terms energy: -214.213407
where:
bonds (distance) C4'-P energy: -40.836
bonds (distance) P-C4' energy: -34.042
flat angles C4'-P-C4' energy: -42.775
flat angles P-C4'-P energy: -33.280
tors. eta vs tors. theta energy: -63.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -647.494765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.494765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.494765 (E_RNA)
where:
Base-Base interactions energy: -450.225
where: short stacking energy: -184.724
Base-Backbone interact. energy: -1.488
local terms energy: -195.782321
where:
bonds (distance) C4'-P energy: -37.194
bonds (distance) P-C4' energy: -43.357
flat angles C4'-P-C4' energy: -33.786
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: -51.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -558.154279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.154279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.154279 (E_RNA)
where:
Base-Base interactions energy: -373.470
where: short stacking energy: -167.414
Base-Backbone interact. energy: 0.873
local terms energy: -185.557097
where:
bonds (distance) C4'-P energy: -38.191
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -43.426
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: -46.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -543.893364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.893364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.893364 (E_RNA)
where:
Base-Base interactions energy: -360.181
where: short stacking energy: -148.518
Base-Backbone interact. energy: -0.202
local terms energy: -183.510562
where:
bonds (distance) C4'-P energy: -43.341
bonds (distance) P-C4' energy: -31.217
flat angles C4'-P-C4' energy: -41.979
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -38.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -477.039791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.039791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.039791 (E_RNA)
where:
Base-Base interactions energy: -305.464
where: short stacking energy: -139.040
Base-Backbone interact. energy: -0.317
local terms energy: -171.258781
where:
bonds (distance) C4'-P energy: -29.893
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -35.466
flat angles P-C4'-P energy: -29.966
tors. eta vs tors. theta energy: -44.088
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: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -304.179883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.179883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.179883 (E_RNA)
where:
Base-Base interactions energy: -143.117
where: short stacking energy: -82.342
Base-Backbone interact. energy: -0.100
local terms energy: -160.963076
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -39.061
flat angles P-C4'-P energy: -32.045
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: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -267.554596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.554596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.554596 (E_RNA)
where:
Base-Base interactions energy: -123.314
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.744
local terms energy: -143.496463
where:
bonds (distance) C4'-P energy: -40.898
bonds (distance) P-C4' energy: -39.260
flat angles C4'-P-C4' energy: -45.986
flat angles P-C4'-P energy: -13.800
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: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -182.922423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.922423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.922423 (E_RNA)
where:
Base-Base interactions energy: -59.895
where: short stacking energy: -50.111
Base-Backbone interact. energy: 0.299
local terms energy: -123.325562
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -40.313
flat angles C4'-P-C4' energy: -32.820
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: 3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -165.655769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.655769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.655769 (E_RNA)
where:
Base-Base interactions energy: -49.694
where: short stacking energy: -40.989
Base-Backbone interact. energy: -0.480
local terms energy: -115.482346
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -39.455
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: 3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -687.746712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.746712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.746712 (E_RNA)
where:
Base-Base interactions energy: -465.279
where: short stacking energy: -189.514
Base-Backbone interact. energy: -0.446
local terms energy: -222.021869
where:
bonds (distance) C4'-P energy: -38.715
bonds (distance) P-C4' energy: -45.624
flat angles C4'-P-C4' energy: -46.635
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -57.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -672.645192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.645192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.645192 (E_RNA)
where:
Base-Base interactions energy: -454.854
where: short stacking energy: -188.086
Base-Backbone interact. energy: -0.064
local terms energy: -217.727743
where:
bonds (distance) C4'-P energy: -41.332
bonds (distance) P-C4' energy: -43.280
flat angles C4'-P-C4' energy: -41.673
flat angles P-C4'-P energy: -29.578
tors. eta vs tors. theta energy: -61.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -659.008053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.008053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.008053 (E_RNA)
where:
Base-Base interactions energy: -453.306
where: short stacking energy: -173.595
Base-Backbone interact. energy: 2.261
local terms energy: -207.962972
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -45.001
flat angles C4'-P-C4' energy: -45.546
flat angles P-C4'-P energy: -28.455
tors. eta vs tors. theta energy: -50.596
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: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -585.659790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.659790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.659790 (E_RNA)
where:
Base-Base interactions energy: -375.794
where: short stacking energy: -170.971
Base-Backbone interact. energy: -0.879
local terms energy: -208.986407
where:
bonds (distance) C4'-P energy: -33.350
bonds (distance) P-C4' energy: -44.020
flat angles C4'-P-C4' energy: -45.642
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -50.521
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: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -520.473960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.473960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.473960 (E_RNA)
where:
Base-Base interactions energy: -329.976
where: short stacking energy: -158.500
Base-Backbone interact. energy: -0.302
local terms energy: -190.196081
where:
bonds (distance) C4'-P energy: -36.712
bonds (distance) P-C4' energy: -44.757
flat angles C4'-P-C4' energy: -36.079
flat angles P-C4'-P energy: -25.675
tors. eta vs tors. theta energy: -46.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -540.124588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.124588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.124588 (E_RNA)
where:
Base-Base interactions energy: -353.442
where: short stacking energy: -145.343
Base-Backbone interact. energy: -0.355
local terms energy: -186.327967
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -41.473
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -29.224
tors. eta vs tors. theta energy: -42.458
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: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -335.574968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.574968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.574968 (E_RNA)
where:
Base-Base interactions energy: -186.986
where: short stacking energy: -101.046
Base-Backbone interact. energy: -0.626
local terms energy: -147.962182
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -35.898
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -283.133263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.133263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.133263 (E_RNA)
where:
Base-Base interactions energy: -147.167
where: short stacking energy: -80.272
Base-Backbone interact. energy: -0.806
local terms energy: -135.159903
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -36.693
flat angles C4'-P-C4' energy: -34.889
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -180.169869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.169869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.169869 (E_RNA)
where:
Base-Base interactions energy: -58.115
where: short stacking energy: -48.653
Base-Backbone interact. energy: 0.110
local terms energy: -122.165024
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -44.052
flat angles C4'-P-C4' energy: -35.506
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: 7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -170.418189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.418189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.418189 (E_RNA)
where:
Base-Base interactions energy: -61.183
where: short stacking energy: -45.057
Base-Backbone interact. energy: 0.213
local terms energy: -109.447672
where:
bonds (distance) C4'-P energy: -30.975
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -29.567
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -677.999190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.999190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.999190 (E_RNA)
where:
Base-Base interactions energy: -468.295
where: short stacking energy: -190.645
Base-Backbone interact. energy: -0.533
local terms energy: -209.170954
where:
bonds (distance) C4'-P energy: -40.377
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -44.635
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -57.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -675.254104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.254104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.254104 (E_RNA)
where:
Base-Base interactions energy: -458.233
where: short stacking energy: -188.025
Base-Backbone interact. energy: -0.571
local terms energy: -216.450409
where:
bonds (distance) C4'-P energy: -39.778
bonds (distance) P-C4' energy: -39.858
flat angles C4'-P-C4' energy: -42.848
flat angles P-C4'-P energy: -32.124
tors. eta vs tors. theta energy: -61.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -651.345376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.345376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.345376 (E_RNA)
where:
Base-Base interactions energy: -471.561
where: short stacking energy: -173.080
Base-Backbone interact. energy: 0.836
local terms energy: -180.620477
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -37.337
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -30.357
tors. eta vs tors. theta energy: -46.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -584.715541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.715541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.715541 (E_RNA)
where:
Base-Base interactions energy: -393.537
where: short stacking energy: -162.815
Base-Backbone interact. energy: -1.046
local terms energy: -190.133304
where:
bonds (distance) C4'-P energy: -32.291
bonds (distance) P-C4' energy: -41.836
flat angles C4'-P-C4' energy: -37.603
flat angles P-C4'-P energy: -30.251
tors. eta vs tors. theta energy: -48.151
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: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -531.230955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.230955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.230955 (E_RNA)
where:
Base-Base interactions energy: -335.633
where: short stacking energy: -167.461
Base-Backbone interact. energy: -1.095
local terms energy: -194.503315
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -35.413
flat angles C4'-P-C4' energy: -41.654
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: -52.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -524.329775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.329775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.329775 (E_RNA)
where:
Base-Base interactions energy: -362.556
where: short stacking energy: -143.868
Base-Backbone interact. energy: -1.026
local terms energy: -160.747699
where:
bonds (distance) C4'-P energy: -31.603
bonds (distance) P-C4' energy: -32.633
flat angles C4'-P-C4' energy: -36.865
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -43.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -322.824006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.824006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.824006 (E_RNA)
where:
Base-Base interactions energy: -159.860
where: short stacking energy: -91.787
Base-Backbone interact. energy: -0.290
local terms energy: -162.673613
where:
bonds (distance) C4'-P energy: -38.858
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -39.187
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -291.346583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.346583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.346583 (E_RNA)
where:
Base-Base interactions energy: -164.750
where: short stacking energy: -88.562
Base-Backbone interact. energy: -0.684
local terms energy: -125.912415
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -38.301
flat angles C4'-P-C4' energy: -32.304
flat angles P-C4'-P energy: -13.603
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: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -207.250497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.250497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.250497 (E_RNA)
where:
Base-Base interactions energy: -93.341
where: short stacking energy: -65.551
Base-Backbone interact. energy: 1.982
local terms energy: -115.891728
where:
bonds (distance) C4'-P energy: -30.616
bonds (distance) P-C4' energy: -31.188
flat angles C4'-P-C4' energy: -30.070
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -14.945
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: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -174.321218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.321218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.321218 (E_RNA)
where:
Base-Base interactions energy: -50.625
where: short stacking energy: -43.027
Base-Backbone interact. energy: -1.550
local terms energy: -122.146147
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -40.603
flat angles C4'-P-C4' energy: -25.700
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -679.183730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.183730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.183730 (E_RNA)
where:
Base-Base interactions energy: -469.275
where: short stacking energy: -178.133
Base-Backbone interact. energy: -0.911
local terms energy: -208.997826
where:
bonds (distance) C4'-P energy: -37.724
bonds (distance) P-C4' energy: -40.749
flat angles C4'-P-C4' energy: -46.791
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: -52.330
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: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -665.699081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.699081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.699081 (E_RNA)
where:
Base-Base interactions energy: -466.380
where: short stacking energy: -186.813
Base-Backbone interact. energy: -1.788
local terms energy: -197.531513
where:
bonds (distance) C4'-P energy: -30.110
bonds (distance) P-C4' energy: -40.586
flat angles C4'-P-C4' energy: -43.589
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -64.477
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: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -658.233731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.233731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.233731 (E_RNA)
where:
Base-Base interactions energy: -464.675
where: short stacking energy: -164.974
Base-Backbone interact. energy: -1.063
local terms energy: -192.495836
where:
bonds (distance) C4'-P energy: -38.751
bonds (distance) P-C4' energy: -41.119
flat angles C4'-P-C4' energy: -37.776
flat angles P-C4'-P energy: -25.634
tors. eta vs tors. theta energy: -49.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -588.741296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.741296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.741296 (E_RNA)
where:
Base-Base interactions energy: -390.283
where: short stacking energy: -171.554
Base-Backbone interact. energy: -0.725
local terms energy: -197.733425
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -42.731
flat angles P-C4'-P energy: -31.100
tors. eta vs tors. theta energy: -53.976
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: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -518.136304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.136304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.136304 (E_RNA)
where:
Base-Base interactions energy: -343.894
where: short stacking energy: -149.530
Base-Backbone interact. energy: 0.069
local terms energy: -174.311636
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -38.926
flat angles C4'-P-C4' energy: -44.358
flat angles P-C4'-P energy: -23.442
tors. eta vs tors. theta energy: -42.210
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: 252
Temperature: 1.150000
Total energy: -546.937523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.937523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.937523 (E_RNA)
where:
Base-Base interactions energy: -368.527
where: short stacking energy: -156.360
Base-Backbone interact. energy: -0.427
local terms energy: -177.983448
where:
bonds (distance) C4'-P energy: -32.075
bonds (distance) P-C4' energy: -30.512
flat angles C4'-P-C4' energy: -41.528
flat angles P-C4'-P energy: -24.390
tors. eta vs tors. theta energy: -49.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -307.266436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.266436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.266436 (E_RNA)
where:
Base-Base interactions energy: -160.264
where: short stacking energy: -105.358
Base-Backbone interact. energy: -0.313
local terms energy: -146.690099
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -37.190
flat angles C4'-P-C4' energy: -36.290
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -20.410
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: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -305.770713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.770713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.770713 (E_RNA)
where:
Base-Base interactions energy: -172.433
where: short stacking energy: -81.348
Base-Backbone interact. energy: -1.467
local terms energy: -131.870566
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -33.041
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -13.095
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: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -186.640070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.640070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.640070 (E_RNA)
where:
Base-Base interactions energy: -70.853
where: short stacking energy: -48.531
Base-Backbone interact. energy: 1.056
local terms energy: -116.842881
where:
bonds (distance) C4'-P energy: -33.187
bonds (distance) P-C4' energy: -31.479
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -1.249
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: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -176.907136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.907136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.907136 (E_RNA)
where:
Base-Base interactions energy: -63.504
where: short stacking energy: -57.630
Base-Backbone interact. energy: -0.622
local terms energy: -112.780470
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -33.440
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: 2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -674.474987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.474987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.474987 (E_RNA)
where:
Base-Base interactions energy: -466.346
where: short stacking energy: -194.362
Base-Backbone interact. energy: 1.096
local terms energy: -209.224415
where:
bonds (distance) C4'-P energy: -32.489
bonds (distance) P-C4' energy: -37.770
flat angles C4'-P-C4' energy: -46.555
flat angles P-C4'-P energy: -31.250
tors. eta vs tors. theta energy: -61.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -673.432470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.432470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.432470 (E_RNA)
where:
Base-Base interactions energy: -463.865
where: short stacking energy: -199.834
Base-Backbone interact. energy: -0.714
local terms energy: -208.853174
where:
bonds (distance) C4'-P energy: -37.280
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -43.253
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -63.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -654.149955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.149955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.149955 (E_RNA)
where:
Base-Base interactions energy: -464.255
where: short stacking energy: -175.956
Base-Backbone interact. energy: 0.077
local terms energy: -189.972530
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -32.500
flat angles C4'-P-C4' energy: -44.023
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -52.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -601.467032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.467032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.467032 (E_RNA)
where:
Base-Base interactions energy: -412.126
where: short stacking energy: -189.115
Base-Backbone interact. energy: -0.255
local terms energy: -189.085950
where:
bonds (distance) C4'-P energy: -36.744
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -41.798
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -56.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -533.154907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.154907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.154907 (E_RNA)
where:
Base-Base interactions energy: -359.130
where: short stacking energy: -160.197
Base-Backbone interact. energy: -0.494
local terms energy: -173.530572
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -37.279
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -48.963
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: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -575.920167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.920167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.920167 (E_RNA)
where:
Base-Base interactions energy: -390.928
where: short stacking energy: -176.083
Base-Backbone interact. energy: -0.395
local terms energy: -184.597546
where:
bonds (distance) C4'-P energy: -34.453
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -39.523
flat angles P-C4'-P energy: -28.401
tors. eta vs tors. theta energy: -54.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -289.031504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.031504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.031504 (E_RNA)
where:
Base-Base interactions energy: -158.005
where: short stacking energy: -98.761
Base-Backbone interact. energy: 1.621
local terms energy: -132.647246
where:
bonds (distance) C4'-P energy: -36.537
bonds (distance) P-C4' energy: -32.390
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -17.746
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: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -315.088319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.088319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.088319 (E_RNA)
where:
Base-Base interactions energy: -175.711
where: short stacking energy: -89.181
Base-Backbone interact. energy: -0.428
local terms energy: -138.949213
where:
bonds (distance) C4'-P energy: -37.680
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -35.698
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -11.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -200.808584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.808584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.808584 (E_RNA)
where:
Base-Base interactions energy: -70.279
where: short stacking energy: -38.164
Base-Backbone interact. energy: -1.154
local terms energy: -129.375558
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -41.130
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -182.804795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.804795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.804795 (E_RNA)
where:
Base-Base interactions energy: -54.309
where: short stacking energy: -44.775
Base-Backbone interact. energy: -0.617
local terms energy: -127.878210
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -38.206
flat angles C4'-P-C4' energy: -32.568
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -0.221
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: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -672.072492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.072492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.072492 (E_RNA)
where:
Base-Base interactions energy: -459.958
where: short stacking energy: -185.192
Base-Backbone interact. energy: -0.271
local terms energy: -211.842781
where:
bonds (distance) C4'-P energy: -45.565
bonds (distance) P-C4' energy: -34.734
flat angles C4'-P-C4' energy: -50.170
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -56.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -669.670665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.670665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.670665 (E_RNA)
where:
Base-Base interactions energy: -444.225
where: short stacking energy: -186.079
Base-Backbone interact. energy: -0.674
local terms energy: -224.771799
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -42.296
flat angles C4'-P-C4' energy: -45.123
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: -60.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -662.424406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.424406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.424406 (E_RNA)
where:
Base-Base interactions energy: -480.670
where: short stacking energy: -183.835
Base-Backbone interact. energy: 1.698
local terms energy: -183.452721
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -39.830
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -55.319
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: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -587.947736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.947736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.947736 (E_RNA)
where:
Base-Base interactions energy: -380.737
where: short stacking energy: -166.306
Base-Backbone interact. energy: -0.508
local terms energy: -206.702908
where:
bonds (distance) C4'-P energy: -41.869
bonds (distance) P-C4' energy: -41.923
flat angles C4'-P-C4' energy: -36.256
flat angles P-C4'-P energy: -26.627
tors. eta vs tors. theta energy: -60.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -550.286938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.286938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.286938 (E_RNA)
where:
Base-Base interactions energy: -355.983
where: short stacking energy: -179.396
Base-Backbone interact. energy: 2.214
local terms energy: -196.518190
where:
bonds (distance) C4'-P energy: -37.333
bonds (distance) P-C4' energy: -33.892
flat angles C4'-P-C4' energy: -41.519
flat angles P-C4'-P energy: -26.148
tors. eta vs tors. theta energy: -57.626
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: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -531.992290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.992290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.992290 (E_RNA)
where:
Base-Base interactions energy: -345.321
where: short stacking energy: -143.098
Base-Backbone interact. energy: -0.575
local terms energy: -186.095850
where:
bonds (distance) C4'-P energy: -35.845
bonds (distance) P-C4' energy: -40.033
flat angles C4'-P-C4' energy: -37.004
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: -47.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -323.048502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.048502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.048502 (E_RNA)
where:
Base-Base interactions energy: -179.058
where: short stacking energy: -92.275
Base-Backbone interact. energy: -0.321
local terms energy: -143.669015
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -21.969
tors. eta vs tors. theta energy: -15.466
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: 254
Temperature: 1.250000
Total energy: -281.350984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.350984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.350984 (E_RNA)
where:
Base-Base interactions energy: -149.684
where: short stacking energy: -82.808
Base-Backbone interact. energy: -0.413
local terms energy: -131.253205
where:
bonds (distance) C4'-P energy: -38.664
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -27.470
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -188.504871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.504871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.504871 (E_RNA)
where:
Base-Base interactions energy: -76.460
where: short stacking energy: -52.367
Base-Backbone interact. energy: -1.787
local terms energy: -110.257313
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -28.041
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -192.868995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.868995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.868995 (E_RNA)
where:
Base-Base interactions energy: -69.361
where: short stacking energy: -63.064
Base-Backbone interact. energy: -1.755
local terms energy: -121.752998
where:
bonds (distance) C4'-P energy: -32.934
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -35.828
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: 1.125
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: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -671.221418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.221418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.221418 (E_RNA)
where:
Base-Base interactions energy: -467.366
where: short stacking energy: -198.754
Base-Backbone interact. energy: 0.333
local terms energy: -204.188373
where:
bonds (distance) C4'-P energy: -32.110
bonds (distance) P-C4' energy: -39.770
flat angles C4'-P-C4' energy: -42.506
flat angles P-C4'-P energy: -30.223
tors. eta vs tors. theta energy: -59.579
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: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -665.827005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.827005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.827005 (E_RNA)
where:
Base-Base interactions energy: -443.689
where: short stacking energy: -180.858
Base-Backbone interact. energy: -1.507
local terms energy: -220.630771
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -44.164
flat angles C4'-P-C4' energy: -43.785
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: -59.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -658.575326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.575326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.575326 (E_RNA)
where:
Base-Base interactions energy: -456.706
where: short stacking energy: -174.082
Base-Backbone interact. energy: -1.497
local terms energy: -200.372327
where:
bonds (distance) C4'-P energy: -38.010
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -46.120
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -54.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -580.914985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.914985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.914985 (E_RNA)
where:
Base-Base interactions energy: -384.880
where: short stacking energy: -170.210
Base-Backbone interact. energy: -0.231
local terms energy: -195.804569
where:
bonds (distance) C4'-P energy: -32.992
bonds (distance) P-C4' energy: -42.543
flat angles C4'-P-C4' energy: -40.796
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -52.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -545.242723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.242723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.242723 (E_RNA)
where:
Base-Base interactions energy: -362.231
where: short stacking energy: -164.201
Base-Backbone interact. energy: -0.073
local terms energy: -182.939431
where:
bonds (distance) C4'-P energy: -40.587
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -33.084
flat angles P-C4'-P energy: -26.714
tors. eta vs tors. theta energy: -45.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -534.085182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.085182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.085182 (E_RNA)
where:
Base-Base interactions energy: -360.929
where: short stacking energy: -141.763
Base-Backbone interact. energy: -0.584
local terms energy: -172.572834
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -36.655
flat angles C4'-P-C4' energy: -36.575
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -42.723
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: 255
Temperature: 1.200000
Total energy: -350.941355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.941355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.941355 (E_RNA)
where:
Base-Base interactions energy: -228.898
where: short stacking energy: -119.550
Base-Backbone interact. energy: 0.807
local terms energy: -122.850002
where:
bonds (distance) C4'-P energy: -28.516
bonds (distance) P-C4' energy: -28.821
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -199.684403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.684403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.684403 (E_RNA)
where:
Base-Base interactions energy: -68.299
where: short stacking energy: -51.486
Base-Backbone interact. energy: -0.883
local terms energy: -130.502542
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -42.782
flat angles C4'-P-C4' energy: -39.309
flat angles P-C4'-P energy: -17.518
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: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -179.968900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.968900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.968900 (E_RNA)
where:
Base-Base interactions energy: -75.512
where: short stacking energy: -63.856
Base-Backbone interact. energy: -0.386
local terms energy: -104.071563
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -21.212
tors. eta vs tors. theta energy: 0.005
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: 255
Temperature: 1.350000
Total energy: -166.125421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.125421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.125421 (E_RNA)
where:
Base-Base interactions energy: -69.723
where: short stacking energy: -50.313
Base-Backbone interact. energy: 1.338
local terms energy: -97.741113
where:
bonds (distance) C4'-P energy: -34.926
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: 2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -685.193360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.193360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.193360 (E_RNA)
where:
Base-Base interactions energy: -463.609
where: short stacking energy: -188.604
Base-Backbone interact. energy: -0.991
local terms energy: -220.593519
where:
bonds (distance) C4'-P energy: -41.819
bonds (distance) P-C4' energy: -43.636
flat angles C4'-P-C4' energy: -43.625
flat angles P-C4'-P energy: -30.856
tors. eta vs tors. theta energy: -60.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -678.146209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.146209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.146209 (E_RNA)
where:
Base-Base interactions energy: -460.479
where: short stacking energy: -178.651
Base-Backbone interact. energy: 0.661
local terms energy: -218.327747
where:
bonds (distance) C4'-P energy: -42.882
bonds (distance) P-C4' energy: -42.201
flat angles C4'-P-C4' energy: -44.457
flat angles P-C4'-P energy: -29.510
tors. eta vs tors. theta energy: -59.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -662.497093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.497093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.497093 (E_RNA)
where:
Base-Base interactions energy: -475.353
where: short stacking energy: -180.700
Base-Backbone interact. energy: -2.923
local terms energy: -184.220867
where:
bonds (distance) C4'-P energy: -37.072
bonds (distance) P-C4' energy: -31.430
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: -52.937
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -591.730744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.730744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.730744 (E_RNA)
where:
Base-Base interactions energy: -392.639
where: short stacking energy: -173.083
Base-Backbone interact. energy: -0.624
local terms energy: -198.468298
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -44.679
flat angles C4'-P-C4' energy: -42.707
flat angles P-C4'-P energy: -27.642
tors. eta vs tors. theta energy: -51.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -539.536659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.536659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.536659 (E_RNA)
where:
Base-Base interactions energy: -365.700
where: short stacking energy: -156.324
Base-Backbone interact. energy: 0.297
local terms energy: -174.133409
where:
bonds (distance) C4'-P energy: -35.398
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -40.233
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -48.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -538.883443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.883443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.883443 (E_RNA)
where:
Base-Base interactions energy: -353.564
where: short stacking energy: -148.738
Base-Backbone interact. energy: -0.220
local terms energy: -185.099189
where:
bonds (distance) C4'-P energy: -35.532
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -32.876
tors. eta vs tors. theta energy: -42.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -346.147963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.147963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.147963 (E_RNA)
where:
Base-Base interactions energy: -213.629
where: short stacking energy: -102.347
Base-Backbone interact. energy: -0.353
local terms energy: -132.166200
where:
bonds (distance) C4'-P energy: -30.926
bonds (distance) P-C4' energy: -37.932
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -20.428
tors. eta vs tors. theta energy: -11.803
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: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -212.034675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.034675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.034675 (E_RNA)
where:
Base-Base interactions energy: -88.029
where: short stacking energy: -56.419
Base-Backbone interact. energy: 0.321
local terms energy: -124.327241
where:
bonds (distance) C4'-P energy: -32.175
bonds (distance) P-C4' energy: -42.829
flat angles C4'-P-C4' energy: -35.304
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: 3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -185.756489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.756489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.756489 (E_RNA)
where:
Base-Base interactions energy: -79.037
where: short stacking energy: -41.685
Base-Backbone interact. energy: 0.469
local terms energy: -107.187894
where:
bonds (distance) C4'-P energy: -36.318
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -165.235592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.235592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.235592 (E_RNA)
where:
Base-Base interactions energy: -51.701
where: short stacking energy: -34.497
Base-Backbone interact. energy: 3.365
local terms energy: -116.899563
where:
bonds (distance) C4'-P energy: -36.620
bonds (distance) P-C4' energy: -32.257
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -29.283
tors. eta vs tors. theta energy: 9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -684.863963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.863963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.863963 (E_RNA)
where:
Base-Base interactions energy: -472.598
where: short stacking energy: -200.100
Base-Backbone interact. energy: -1.123
local terms energy: -211.142986
where:
bonds (distance) C4'-P energy: -33.044
bonds (distance) P-C4' energy: -43.372
flat angles C4'-P-C4' energy: -42.783
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -65.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -671.063277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.063277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.063277 (E_RNA)
where:
Base-Base interactions energy: -464.010
where: short stacking energy: -195.280
Base-Backbone interact. energy: -0.261
local terms energy: -206.791654
where:
bonds (distance) C4'-P energy: -40.096
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -47.653
flat angles P-C4'-P energy: -28.637
tors. eta vs tors. theta energy: -56.392
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: 257
Temperature: 1.000000
Total energy: -664.525632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.525632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.525632 (E_RNA)
where:
Base-Base interactions energy: -474.625
where: short stacking energy: -184.748
Base-Backbone interact. energy: -1.399
local terms energy: -188.501039
where:
bonds (distance) C4'-P energy: -42.808
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -41.670
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -48.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -594.970171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.970171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.970171 (E_RNA)
where:
Base-Base interactions energy: -403.812
where: short stacking energy: -174.592
Base-Backbone interact. energy: -0.670
local terms energy: -190.487881
where:
bonds (distance) C4'-P energy: -34.715
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -40.847
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: -53.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -524.530512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.530512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.530512 (E_RNA)
where:
Base-Base interactions energy: -356.432
where: short stacking energy: -175.423
Base-Backbone interact. energy: 6.302
local terms energy: -174.400525
where:
bonds (distance) C4'-P energy: -34.585
bonds (distance) P-C4' energy: -34.366
flat angles C4'-P-C4' energy: -34.575
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -55.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -527.850790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.850790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.850790 (E_RNA)
where:
Base-Base interactions energy: -349.506
where: short stacking energy: -156.384
Base-Backbone interact. energy: -0.453
local terms energy: -177.891634
where:
bonds (distance) C4'-P energy: -35.801
bonds (distance) P-C4' energy: -42.673
flat angles C4'-P-C4' energy: -36.438
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -37.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -332.019852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.019852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.019852 (E_RNA)
where:
Base-Base interactions energy: -188.657
where: short stacking energy: -102.251
Base-Backbone interact. energy: -0.539
local terms energy: -142.823835
where:
bonds (distance) C4'-P energy: -37.346
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -34.476
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -20.995
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: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -191.578497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.578497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.578497 (E_RNA)
where:
Base-Base interactions energy: -67.990
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.471
local terms energy: -123.116915
where:
bonds (distance) C4'-P energy: -41.043
bonds (distance) P-C4' energy: -34.575
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: 2.134
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: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -197.694854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.694854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.694854 (E_RNA)
where:
Base-Base interactions energy: -78.721
where: short stacking energy: -77.405
Base-Backbone interact. energy: 0.330
local terms energy: -119.303607
where:
bonds (distance) C4'-P energy: -31.827
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -171.029427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.029427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.029427 (E_RNA)
where:
Base-Base interactions energy: -59.603
where: short stacking energy: -51.446
Base-Backbone interact. energy: -1.817
local terms energy: -109.608910
where:
bonds (distance) C4'-P energy: -40.352
bonds (distance) P-C4' energy: -30.024
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: 10.628
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: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -681.253022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.253022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.253022 (E_RNA)
where:
Base-Base interactions energy: -468.237
where: short stacking energy: -191.243
Base-Backbone interact. energy: -0.818
local terms energy: -212.197863
where:
bonds (distance) C4'-P energy: -40.037
bonds (distance) P-C4' energy: -43.407
flat angles C4'-P-C4' energy: -43.053
flat angles P-C4'-P energy: -32.720
tors. eta vs tors. theta energy: -52.980
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: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -671.157467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.157467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.157467 (E_RNA)
where:
Base-Base interactions energy: -474.020
where: short stacking energy: -200.104
Base-Backbone interact. energy: 0.399
local terms energy: -197.537025
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -41.602
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -59.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -659.432021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.432021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.432021 (E_RNA)
where:
Base-Base interactions energy: -470.152
where: short stacking energy: -183.133
Base-Backbone interact. energy: -0.719
local terms energy: -188.561264
where:
bonds (distance) C4'-P energy: -24.419
bonds (distance) P-C4' energy: -37.752
flat angles C4'-P-C4' energy: -44.121
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -55.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -585.493200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.493200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.493200 (E_RNA)
where:
Base-Base interactions energy: -396.542
where: short stacking energy: -163.859
Base-Backbone interact. energy: -0.269
local terms energy: -188.682341
where:
bonds (distance) C4'-P energy: -40.216
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -32.590
tors. eta vs tors. theta energy: -53.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -543.276593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.276593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.276593 (E_RNA)
where:
Base-Base interactions energy: -369.686
where: short stacking energy: -149.198
Base-Backbone interact. energy: -0.586
local terms energy: -173.004868
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -36.814
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -37.218
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: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -492.818249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.818249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.818249 (E_RNA)
where:
Base-Base interactions energy: -325.308
where: short stacking energy: -147.962
Base-Backbone interact. energy: -0.647
local terms energy: -166.863611
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -35.251
flat angles C4'-P-C4' energy: -37.663
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -45.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -319.863842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.863842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.863842 (E_RNA)
where:
Base-Base interactions energy: -176.728
where: short stacking energy: -107.468
Base-Backbone interact. energy: -0.731
local terms energy: -142.405192
where:
bonds (distance) C4'-P energy: -30.464
bonds (distance) P-C4' energy: -38.899
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -17.394
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: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -196.326794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.326794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.326794 (E_RNA)
where:
Base-Base interactions energy: -85.440
where: short stacking energy: -71.225
Base-Backbone interact. energy: 4.823
local terms energy: -115.709463
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -41.904
flat angles C4'-P-C4' energy: -33.638
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -1.343
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: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -176.172333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.172333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.172333 (E_RNA)
where:
Base-Base interactions energy: -68.566
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.174
local terms energy: -107.432031
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -40.173
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: 6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -165.918023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.918023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.918023 (E_RNA)
where:
Base-Base interactions energy: -64.798
where: short stacking energy: -41.118
Base-Backbone interact. energy: -0.203
local terms energy: -100.916841
where:
bonds (distance) C4'-P energy: -37.472
bonds (distance) P-C4' energy: -38.269
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: 13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -684.806070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.806070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.806070 (E_RNA)
where:
Base-Base interactions energy: -464.151
where: short stacking energy: -194.107
Base-Backbone interact. energy: -2.037
local terms energy: -218.618161
where:
bonds (distance) C4'-P energy: -40.539
bonds (distance) P-C4' energy: -40.036
flat angles C4'-P-C4' energy: -46.937
flat angles P-C4'-P energy: -32.744
tors. eta vs tors. theta energy: -58.361
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: 259
Temperature: 0.950000
Total energy: -686.147517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.147517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.147517 (E_RNA)
where:
Base-Base interactions energy: -484.703
where: short stacking energy: -185.774
Base-Backbone interact. energy: -0.633
local terms energy: -200.812032
where:
bonds (distance) C4'-P energy: -33.935
bonds (distance) P-C4' energy: -38.043
flat angles C4'-P-C4' energy: -42.072
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: -55.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -655.102481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.102481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.102481 (E_RNA)
where:
Base-Base interactions energy: -460.362
where: short stacking energy: -177.038
Base-Backbone interact. energy: 3.363
local terms energy: -198.103469
where:
bonds (distance) C4'-P energy: -41.740
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -39.814
flat angles P-C4'-P energy: -28.326
tors. eta vs tors. theta energy: -51.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -540.172539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.172539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.172539 (E_RNA)
where:
Base-Base interactions energy: -360.570
where: short stacking energy: -147.728
Base-Backbone interact. energy: -0.094
local terms energy: -179.508556
where:
bonds (distance) C4'-P energy: -31.636
bonds (distance) P-C4' energy: -42.539
flat angles C4'-P-C4' energy: -43.435
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -43.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -551.436430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.436430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.436430 (E_RNA)
where:
Base-Base interactions energy: -368.757
where: short stacking energy: -175.000
Base-Backbone interact. energy: -0.405
local terms energy: -182.274155
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -33.698
flat angles C4'-P-C4' energy: -41.733
flat angles P-C4'-P energy: -25.097
tors. eta vs tors. theta energy: -53.517
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: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -508.844155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.844155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.844155 (E_RNA)
where:
Base-Base interactions energy: -332.251
where: short stacking energy: -166.713
Base-Backbone interact. energy: -0.326
local terms energy: -176.266664
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -31.605
flat angles C4'-P-C4' energy: -43.187
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -44.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -316.978884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.978884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.978884 (E_RNA)
where:
Base-Base interactions energy: -172.950
where: short stacking energy: -91.650
Base-Backbone interact. energy: -0.298
local terms energy: -143.730858
where:
bonds (distance) C4'-P energy: -32.576
bonds (distance) P-C4' energy: -41.615
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -187.183183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.183183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.183183 (E_RNA)
where:
Base-Base interactions energy: -69.111
where: short stacking energy: -45.446
Base-Backbone interact. energy: 2.319
local terms energy: -120.391330
where:
bonds (distance) C4'-P energy: -33.348
bonds (distance) P-C4' energy: -36.087
flat angles C4'-P-C4' energy: -36.704
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: 13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -181.864178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.864178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.864178 (E_RNA)
where:
Base-Base interactions energy: -70.379
where: short stacking energy: -54.371
Base-Backbone interact. energy: 0.848
local terms energy: -112.333501
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -36.942
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -162.965938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.965938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.965938 (E_RNA)
where:
Base-Base interactions energy: -53.066
where: short stacking energy: -46.061
Base-Backbone interact. energy: 0.218
local terms energy: -110.117591
where:
bonds (distance) C4'-P energy: -30.371
bonds (distance) P-C4' energy: -41.253
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -15.193
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: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -692.811585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.811585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.811585 (E_RNA)
where:
Base-Base interactions energy: -468.839
where: short stacking energy: -184.450
Base-Backbone interact. energy: -1.074
local terms energy: -222.898329
where:
bonds (distance) C4'-P energy: -43.528
bonds (distance) P-C4' energy: -46.524
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -24.181
tors. eta vs tors. theta energy: -60.901
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: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -657.486491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.486491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.486491 (E_RNA)
where:
Base-Base interactions energy: -457.341
where: short stacking energy: -179.430
Base-Backbone interact. energy: -0.290
local terms energy: -199.855121
where:
bonds (distance) C4'-P energy: -42.130
bonds (distance) P-C4' energy: -37.820
flat angles C4'-P-C4' energy: -40.641
flat angles P-C4'-P energy: -36.097
tors. eta vs tors. theta energy: -43.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -662.310974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.310974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.310974 (E_RNA)
where:
Base-Base interactions energy: -476.014
where: short stacking energy: -185.712
Base-Backbone interact. energy: 0.395
local terms energy: -186.691458
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -35.726
flat angles P-C4'-P energy: -31.917
tors. eta vs tors. theta energy: -56.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -547.286247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.286247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.286247 (E_RNA)
where:
Base-Base interactions energy: -365.244
where: short stacking energy: -149.203
Base-Backbone interact. energy: -1.055
local terms energy: -180.987102
where:
bonds (distance) C4'-P energy: -36.677
bonds (distance) P-C4' energy: -33.983
flat angles C4'-P-C4' energy: -40.792
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -37.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -565.307261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.307261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.307261 (E_RNA)
where:
Base-Base interactions energy: -368.535
where: short stacking energy: -165.127
Base-Backbone interact. energy: -0.246
local terms energy: -196.526020
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -38.528
flat angles C4'-P-C4' energy: -43.189
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -50.013
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: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -527.008644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.008644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.008644 (E_RNA)
where:
Base-Base interactions energy: -352.174
where: short stacking energy: -164.760
Base-Backbone interact. energy: 0.218
local terms energy: -175.053338
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -31.338
flat angles C4'-P-C4' energy: -43.995
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -43.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -332.868059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.868059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.868059 (E_RNA)
where:
Base-Base interactions energy: -193.424
where: short stacking energy: -95.678
Base-Backbone interact. energy: -0.711
local terms energy: -138.732589
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -37.229
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -233.760026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.760026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.760026 (E_RNA)
where:
Base-Base interactions energy: -102.960
where: short stacking energy: -69.314
Base-Backbone interact. energy: 2.276
local terms energy: -133.075997
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -37.823
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: -2.171
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: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -198.432567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.432567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.432567 (E_RNA)
where:
Base-Base interactions energy: -79.442
where: short stacking energy: -57.238
Base-Backbone interact. energy: -1.174
local terms energy: -117.816732
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -35.504
flat angles C4'-P-C4' energy: -39.076
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: 0.219
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: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -180.068648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.068648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.068648 (E_RNA)
where:
Base-Base interactions energy: -67.000
where: short stacking energy: -62.437
Base-Backbone interact. energy: 1.116
local terms energy: -114.183724
where:
bonds (distance) C4'-P energy: -29.328
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -31.443
flat angles P-C4'-P energy: -10.932
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: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -696.460806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.460806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.460806 (E_RNA)
where:
Base-Base interactions energy: -488.955
where: short stacking energy: -199.805
Base-Backbone interact. energy: -1.652
local terms energy: -205.853599
where:
bonds (distance) C4'-P energy: -35.303
bonds (distance) P-C4' energy: -38.616
flat angles C4'-P-C4' energy: -41.708
flat angles P-C4'-P energy: -29.741
tors. eta vs tors. theta energy: -60.487
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -686.902416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.902416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.902416 (E_RNA)
where:
Base-Base interactions energy: -477.142
where: short stacking energy: -194.436
Base-Backbone interact. energy: -1.240
local terms energy: -208.519828
where:
bonds (distance) C4'-P energy: -39.880
bonds (distance) P-C4' energy: -38.200
flat angles C4'-P-C4' energy: -45.246
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -56.825
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: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -655.434876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.434876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.434876 (E_RNA)
where:
Base-Base interactions energy: -467.725
where: short stacking energy: -187.102
Base-Backbone interact. energy: -0.615
local terms energy: -187.093940
where:
bonds (distance) C4'-P energy: -35.095
bonds (distance) P-C4' energy: -40.593
flat angles C4'-P-C4' energy: -33.555
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -52.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -541.983837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.983837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.983837 (E_RNA)
where:
Base-Base interactions energy: -357.760
where: short stacking energy: -153.205
Base-Backbone interact. energy: -1.659
local terms energy: -182.565277
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -39.911
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -31.901
tors. eta vs tors. theta energy: -39.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -546.118841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.118841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.118841 (E_RNA)
where:
Base-Base interactions energy: -360.324
where: short stacking energy: -153.992
Base-Backbone interact. energy: 0.039
local terms energy: -185.833326
where:
bonds (distance) C4'-P energy: -37.219
bonds (distance) P-C4' energy: -41.749
flat angles C4'-P-C4' energy: -37.453
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -42.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -532.512735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.512735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.512735 (E_RNA)
where:
Base-Base interactions energy: -345.699
where: short stacking energy: -178.604
Base-Backbone interact. energy: -0.705
local terms energy: -186.108494
where:
bonds (distance) C4'-P energy: -31.201
bonds (distance) P-C4' energy: -36.302
flat angles C4'-P-C4' energy: -37.577
flat angles P-C4'-P energy: -24.377
tors. eta vs tors. theta energy: -56.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -356.263277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.263277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.263277 (E_RNA)
where:
Base-Base interactions energy: -203.281
where: short stacking energy: -102.889
Base-Backbone interact. energy: -0.636
local terms energy: -152.346112
where:
bonds (distance) C4'-P energy: -42.673
bonds (distance) P-C4' energy: -39.482
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -241.655362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.655362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.655362 (E_RNA)
where:
Base-Base interactions energy: -108.846
where: short stacking energy: -85.103
Base-Backbone interact. energy: -1.174
local terms energy: -131.635217
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -33.142
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -243.504467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.504467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.504467 (E_RNA)
where:
Base-Base interactions energy: -115.542
where: short stacking energy: -52.152
Base-Backbone interact. energy: 0.124
local terms energy: -128.087272
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -40.106
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -21.273
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: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -184.876233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.876233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.876233 (E_RNA)
where:
Base-Base interactions energy: -62.343
where: short stacking energy: -47.206
Base-Backbone interact. energy: -0.537
local terms energy: -121.996730
where:
bonds (distance) C4'-P energy: -32.774
bonds (distance) P-C4' energy: -37.522
flat angles C4'-P-C4' energy: -40.620
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: 1.889
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: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -690.369416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.369416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.369416 (E_RNA)
where:
Base-Base interactions energy: -471.817
where: short stacking energy: -190.369
Base-Backbone interact. energy: -0.873
local terms energy: -217.678701
where:
bonds (distance) C4'-P energy: -42.919
bonds (distance) P-C4' energy: -38.790
flat angles C4'-P-C4' energy: -44.566
flat angles P-C4'-P energy: -31.238
tors. eta vs tors. theta energy: -60.166
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: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -679.488718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.488718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.488718 (E_RNA)
where:
Base-Base interactions energy: -479.394
where: short stacking energy: -189.818
Base-Backbone interact. energy: 0.907
local terms energy: -201.001559
where:
bonds (distance) C4'-P energy: -38.649
bonds (distance) P-C4' energy: -41.145
flat angles C4'-P-C4' energy: -41.514
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -58.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -663.505269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.505269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.505269 (E_RNA)
where:
Base-Base interactions energy: -451.076
where: short stacking energy: -184.034
Base-Backbone interact. energy: -0.425
local terms energy: -212.005074
where:
bonds (distance) C4'-P energy: -39.387
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -49.344
flat angles P-C4'-P energy: -26.276
tors. eta vs tors. theta energy: -58.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -572.774668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.774668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.774668 (E_RNA)
where:
Base-Base interactions energy: -372.805
where: short stacking energy: -175.678
Base-Backbone interact. energy: -1.828
local terms energy: -198.141391
where:
bonds (distance) C4'-P energy: -38.418
bonds (distance) P-C4' energy: -45.126
flat angles C4'-P-C4' energy: -36.283
flat angles P-C4'-P energy: -24.510
tors. eta vs tors. theta energy: -53.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -546.562194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.562194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.562194 (E_RNA)
where:
Base-Base interactions energy: -367.742
where: short stacking energy: -168.442
Base-Backbone interact. energy: -0.544
local terms energy: -178.275705
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -34.536
flat angles C4'-P-C4' energy: -37.751
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -55.780
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: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -511.249511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.249511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.249511 (E_RNA)
where:
Base-Base interactions energy: -342.300
where: short stacking energy: -146.960
Base-Backbone interact. energy: -0.434
local terms energy: -168.516199
where:
bonds (distance) C4'-P energy: -37.900
bonds (distance) P-C4' energy: -36.278
flat angles C4'-P-C4' energy: -37.416
flat angles P-C4'-P energy: -24.346
tors. eta vs tors. theta energy: -32.576
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: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -343.452411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.452411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.452411 (E_RNA)
where:
Base-Base interactions energy: -178.340
where: short stacking energy: -96.404
Base-Backbone interact. energy: -0.682
local terms energy: -164.430795
where:
bonds (distance) C4'-P energy: -36.081
bonds (distance) P-C4' energy: -40.444
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -219.204684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.204684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.204684 (E_RNA)
where:
Base-Base interactions energy: -88.918
where: short stacking energy: -69.073
Base-Backbone interact. energy: -0.626
local terms energy: -129.660960
where:
bonds (distance) C4'-P energy: -30.948
bonds (distance) P-C4' energy: -44.191
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -222.699192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.699192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.699192 (E_RNA)
where:
Base-Base interactions energy: -113.884
where: short stacking energy: -66.507
Base-Backbone interact. energy: 2.160
local terms energy: -110.974658
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -26.522
tors. eta vs tors. theta energy: 2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -172.233480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.233480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.233480 (E_RNA)
where:
Base-Base interactions energy: -57.347
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.704
local terms energy: -114.182238
where:
bonds (distance) C4'-P energy: -39.502
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -38.432
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: 6.243
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: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -710.535525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.535525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.535525 (E_RNA)
where:
Base-Base interactions energy: -493.751
where: short stacking energy: -194.707
Base-Backbone interact. energy: -0.070
local terms energy: -216.713852
where:
bonds (distance) C4'-P energy: -42.435
bonds (distance) P-C4' energy: -38.573
flat angles C4'-P-C4' energy: -47.575
flat angles P-C4'-P energy: -31.161
tors. eta vs tors. theta energy: -56.969
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: 263
Temperature: 0.950000
Total energy: -668.507451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.507451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.507451 (E_RNA)
where:
Base-Base interactions energy: -460.255
where: short stacking energy: -181.984
Base-Backbone interact. energy: -0.627
local terms energy: -207.625820
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -40.680
flat angles C4'-P-C4' energy: -40.754
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -54.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -657.125958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.125958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.125958 (E_RNA)
where:
Base-Base interactions energy: -468.735
where: short stacking energy: -176.300
Base-Backbone interact. energy: -0.386
local terms energy: -188.004940
where:
bonds (distance) C4'-P energy: -38.346
bonds (distance) P-C4' energy: -35.426
flat angles C4'-P-C4' energy: -39.991
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: -50.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -579.917394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.917394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.917394 (E_RNA)
where:
Base-Base interactions energy: -380.052
where: short stacking energy: -187.126
Base-Backbone interact. energy: -0.422
local terms energy: -199.443709
where:
bonds (distance) C4'-P energy: -26.907
bonds (distance) P-C4' energy: -39.850
flat angles C4'-P-C4' energy: -44.097
flat angles P-C4'-P energy: -29.904
tors. eta vs tors. theta energy: -58.686
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: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -552.138015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.138015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.138015 (E_RNA)
where:
Base-Base interactions energy: -373.333
where: short stacking energy: -164.012
Base-Backbone interact. energy: -0.588
local terms energy: -178.216877
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -37.845
flat angles C4'-P-C4' energy: -35.990
flat angles P-C4'-P energy: -26.341
tors. eta vs tors. theta energy: -41.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -523.075052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.075052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.075052 (E_RNA)
where:
Base-Base interactions energy: -351.233
where: short stacking energy: -149.230
Base-Backbone interact. energy: 0.681
local terms energy: -172.523607
where:
bonds (distance) C4'-P energy: -32.638
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -40.149
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -42.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -323.364109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.364109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.364109 (E_RNA)
where:
Base-Base interactions energy: -167.201
where: short stacking energy: -96.310
Base-Backbone interact. energy: -0.331
local terms energy: -155.832153
where:
bonds (distance) C4'-P energy: -36.408
bonds (distance) P-C4' energy: -35.088
flat angles C4'-P-C4' energy: -35.073
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -21.068
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: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -192.525708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.525708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.525708 (E_RNA)
where:
Base-Base interactions energy: -79.560
where: short stacking energy: -63.212
Base-Backbone interact. energy: -1.274
local terms energy: -111.691419
where:
bonds (distance) C4'-P energy: -33.338
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -200.897499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.897499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.897499 (E_RNA)
where:
Base-Base interactions energy: -99.286
where: short stacking energy: -51.671
Base-Backbone interact. energy: 1.975
local terms energy: -103.586935
where:
bonds (distance) C4'-P energy: -26.219
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -28.870
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: 4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -196.774438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.774438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.774438 (E_RNA)
where:
Base-Base interactions energy: -74.320
where: short stacking energy: -44.655
Base-Backbone interact. energy: -0.762
local terms energy: -121.692410
where:
bonds (distance) C4'-P energy: -35.433
bonds (distance) P-C4' energy: -35.791
flat angles C4'-P-C4' energy: -35.669
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: 3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -695.914335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.914335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.914335 (E_RNA)
where:
Base-Base interactions energy: -466.960
where: short stacking energy: -197.553
Base-Backbone interact. energy: -0.321
local terms energy: -228.632998
where:
bonds (distance) C4'-P energy: -41.986
bonds (distance) P-C4' energy: -43.397
flat angles C4'-P-C4' energy: -49.632
flat angles P-C4'-P energy: -33.431
tors. eta vs tors. theta energy: -60.187
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: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -664.173972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.173972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.173972 (E_RNA)
where:
Base-Base interactions energy: -465.403
where: short stacking energy: -180.333
Base-Backbone interact. energy: -1.871
local terms energy: -196.900242
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -41.703
flat angles P-C4'-P energy: -28.678
tors. eta vs tors. theta energy: -54.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -653.617377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.617377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.617377 (E_RNA)
where:
Base-Base interactions energy: -472.006
where: short stacking energy: -189.109
Base-Backbone interact. energy: -0.016
local terms energy: -181.594770
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -36.151
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -27.898
tors. eta vs tors. theta energy: -55.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -574.376485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.376485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.376485 (E_RNA)
where:
Base-Base interactions energy: -372.959
where: short stacking energy: -171.709
Base-Backbone interact. energy: 0.619
local terms energy: -202.036330
where:
bonds (distance) C4'-P energy: -32.366
bonds (distance) P-C4' energy: -41.105
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -33.579
tors. eta vs tors. theta energy: -54.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -548.031065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.031065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.031065 (E_RNA)
where:
Base-Base interactions energy: -362.334
where: short stacking energy: -149.591
Base-Backbone interact. energy: -3.147
local terms energy: -182.550102
where:
bonds (distance) C4'-P energy: -31.678
bonds (distance) P-C4' energy: -38.549
flat angles C4'-P-C4' energy: -41.718
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -48.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -515.088448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.088448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.088448 (E_RNA)
where:
Base-Base interactions energy: -333.336
where: short stacking energy: -143.806
Base-Backbone interact. energy: -0.559
local terms energy: -181.193610
where:
bonds (distance) C4'-P energy: -40.190
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: -44.046
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: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -294.328402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.328402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.328402 (E_RNA)
where:
Base-Base interactions energy: -143.970
where: short stacking energy: -87.911
Base-Backbone interact. energy: -0.403
local terms energy: -149.954618
where:
bonds (distance) C4'-P energy: -40.474
bonds (distance) P-C4' energy: -35.387
flat angles C4'-P-C4' energy: -42.475
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -208.027953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.027953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.027953 (E_RNA)
where:
Base-Base interactions energy: -74.495
where: short stacking energy: -71.160
Base-Backbone interact. energy: 0.049
local terms energy: -133.581625
where:
bonds (distance) C4'-P energy: -37.119
bonds (distance) P-C4' energy: -32.118
flat angles C4'-P-C4' energy: -42.682
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -6.532
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: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -184.133756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.133756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.133756 (E_RNA)
where:
Base-Base interactions energy: -73.461
where: short stacking energy: -50.828
Base-Backbone interact. energy: -0.865
local terms energy: -109.807344
where:
bonds (distance) C4'-P energy: -32.717
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -34.460
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: 8.285
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: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -183.582719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.582719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.582719 (E_RNA)
where:
Base-Base interactions energy: -63.528
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.626
local terms energy: -119.427957
where:
bonds (distance) C4'-P energy: -39.558
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: 5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -689.680401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.680401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.680401 (E_RNA)
where:
Base-Base interactions energy: -471.598
where: short stacking energy: -187.491
Base-Backbone interact. energy: -1.681
local terms energy: -216.401383
where:
bonds (distance) C4'-P energy: -41.391
bonds (distance) P-C4' energy: -42.166
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: -58.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -685.695675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.695675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.695675 (E_RNA)
where:
Base-Base interactions energy: -473.523
where: short stacking energy: -189.527
Base-Backbone interact. energy: -2.259
local terms energy: -209.913320
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -40.853
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -33.573
tors. eta vs tors. theta energy: -50.398
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: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -672.793102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.793102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.793102 (E_RNA)
where:
Base-Base interactions energy: -469.743
where: short stacking energy: -183.511
Base-Backbone interact. energy: -2.580
local terms energy: -200.470528
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -37.531
flat angles C4'-P-C4' energy: -36.846
flat angles P-C4'-P energy: -28.358
tors. eta vs tors. theta energy: -53.590
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: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -578.725382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.725382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.725382 (E_RNA)
where:
Base-Base interactions energy: -383.824
where: short stacking energy: -172.430
Base-Backbone interact. energy: -0.259
local terms energy: -194.642493
where:
bonds (distance) C4'-P energy: -32.436
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -47.638
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -55.995
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: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -558.584478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.584478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.584478 (E_RNA)
where:
Base-Base interactions energy: -346.588
where: short stacking energy: -161.869
Base-Backbone interact. energy: -0.271
local terms energy: -211.725545
where:
bonds (distance) C4'-P energy: -42.167
bonds (distance) P-C4' energy: -45.622
flat angles C4'-P-C4' energy: -42.642
flat angles P-C4'-P energy: -27.316
tors. eta vs tors. theta energy: -53.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -548.173526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.173526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.173526 (E_RNA)
where:
Base-Base interactions energy: -365.303
where: short stacking energy: -151.193
Base-Backbone interact. energy: -0.278
local terms energy: -182.592503
where:
bonds (distance) C4'-P energy: -36.771
bonds (distance) P-C4' energy: -36.603
flat angles C4'-P-C4' energy: -39.050
flat angles P-C4'-P energy: -27.145
tors. eta vs tors. theta energy: -43.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -324.008348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.008348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.008348 (E_RNA)
where:
Base-Base interactions energy: -172.466
where: short stacking energy: -88.261
Base-Backbone interact. energy: -0.993
local terms energy: -150.549520
where:
bonds (distance) C4'-P energy: -43.470
bonds (distance) P-C4' energy: -38.320
flat angles C4'-P-C4' energy: -37.632
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -234.815402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.815402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.815402 (E_RNA)
where:
Base-Base interactions energy: -107.328
where: short stacking energy: -67.919
Base-Backbone interact. energy: 1.025
local terms energy: -128.512540
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -36.942
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -195.096133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.096133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.096133 (E_RNA)
where:
Base-Base interactions energy: -60.349
where: short stacking energy: -50.766
Base-Backbone interact. energy: -0.450
local terms energy: -134.296486
where:
bonds (distance) C4'-P energy: -35.765
bonds (distance) P-C4' energy: -34.156
flat angles C4'-P-C4' energy: -36.941
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -174.389150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.389150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.389150 (E_RNA)
where:
Base-Base interactions energy: -57.286
where: short stacking energy: -43.424
Base-Backbone interact. energy: -0.976
local terms energy: -116.127518
where:
bonds (distance) C4'-P energy: -37.444
bonds (distance) P-C4' energy: -32.427
flat angles C4'-P-C4' energy: -27.128
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: 0.180
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: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -685.469556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.469556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.469556 (E_RNA)
where:
Base-Base interactions energy: -475.753
where: short stacking energy: -191.499
Base-Backbone interact. energy: 0.574
local terms energy: -210.290908
where:
bonds (distance) C4'-P energy: -41.439
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -44.013
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -59.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -666.189997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.189997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.189997 (E_RNA)
where:
Base-Base interactions energy: -460.914
where: short stacking energy: -189.662
Base-Backbone interact. energy: 1.665
local terms energy: -206.940820
where:
bonds (distance) C4'-P energy: -40.004
bonds (distance) P-C4' energy: -34.097
flat angles C4'-P-C4' energy: -41.782
flat angles P-C4'-P energy: -28.889
tors. eta vs tors. theta energy: -62.168
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: 266
Temperature: 1.000000
Total energy: -672.250161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.250161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.250161 (E_RNA)
where:
Base-Base interactions energy: -460.365
where: short stacking energy: -176.739
Base-Backbone interact. energy: 0.384
local terms energy: -212.268232
where:
bonds (distance) C4'-P energy: -43.348
bonds (distance) P-C4' energy: -40.285
flat angles C4'-P-C4' energy: -48.172
flat angles P-C4'-P energy: -30.587
tors. eta vs tors. theta energy: -49.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -581.233541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.233541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.233541 (E_RNA)
where:
Base-Base interactions energy: -389.321
where: short stacking energy: -172.163
Base-Backbone interact. energy: -0.668
local terms energy: -191.244007
where:
bonds (distance) C4'-P energy: -32.405
bonds (distance) P-C4' energy: -42.072
flat angles C4'-P-C4' energy: -37.584
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -50.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -566.422870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.422870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.422870 (E_RNA)
where:
Base-Base interactions energy: -380.682
where: short stacking energy: -174.569
Base-Backbone interact. energy: 2.199
local terms energy: -187.940045
where:
bonds (distance) C4'-P energy: -36.602
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -35.969
flat angles P-C4'-P energy: -28.299
tors. eta vs tors. theta energy: -53.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -523.277391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.277391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.277391 (E_RNA)
where:
Base-Base interactions energy: -335.316
where: short stacking energy: -169.404
Base-Backbone interact. energy: -0.642
local terms energy: -187.318571
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -32.661
flat angles C4'-P-C4' energy: -41.418
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: -53.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -329.199138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.199138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.199138 (E_RNA)
where:
Base-Base interactions energy: -188.087
where: short stacking energy: -86.040
Base-Backbone interact. energy: -1.834
local terms energy: -139.278615
where:
bonds (distance) C4'-P energy: -31.943
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -38.133
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -12.880
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: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -194.671527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.671527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.671527 (E_RNA)
where:
Base-Base interactions energy: -79.936
where: short stacking energy: -55.637
Base-Backbone interact. energy: 0.867
local terms energy: -115.602509
where:
bonds (distance) C4'-P energy: -34.619
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -36.699
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: 5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -185.844497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.844497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.844497 (E_RNA)
where:
Base-Base interactions energy: -67.288
where: short stacking energy: -56.753
Base-Backbone interact. energy: 3.116
local terms energy: -121.672617
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -37.961
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -0.467
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: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -211.268874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.268874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.268874 (E_RNA)
where:
Base-Base interactions energy: -80.782
where: short stacking energy: -58.269
Base-Backbone interact. energy: -0.154
local terms energy: -130.333174
where:
bonds (distance) C4'-P energy: -38.058
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -24.563
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -676.830961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.830961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.830961 (E_RNA)
where:
Base-Base interactions energy: -461.029
where: short stacking energy: -195.068
Base-Backbone interact. energy: 0.539
local terms energy: -216.340698
where:
bonds (distance) C4'-P energy: -33.633
bonds (distance) P-C4' energy: -45.195
flat angles C4'-P-C4' energy: -47.458
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -57.405
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: 267
Temperature: 0.950000
Total energy: -681.468159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.468159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.468159 (E_RNA)
where:
Base-Base interactions energy: -469.600
where: short stacking energy: -185.649
Base-Backbone interact. energy: -1.090
local terms energy: -210.778821
where:
bonds (distance) C4'-P energy: -42.397
bonds (distance) P-C4' energy: -42.993
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -30.661
tors. eta vs tors. theta energy: -56.349
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: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -657.341157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.341157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.341157 (E_RNA)
where:
Base-Base interactions energy: -448.710
where: short stacking energy: -190.108
Base-Backbone interact. energy: -0.835
local terms energy: -207.795674
where:
bonds (distance) C4'-P energy: -42.044
bonds (distance) P-C4' energy: -42.163
flat angles C4'-P-C4' energy: -41.540
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -60.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -568.020925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.020925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.020925 (E_RNA)
where:
Base-Base interactions energy: -364.357
where: short stacking energy: -152.735
Base-Backbone interact. energy: -0.989
local terms energy: -202.674579
where:
bonds (distance) C4'-P energy: -41.759
bonds (distance) P-C4' energy: -40.416
flat angles C4'-P-C4' energy: -45.491
flat angles P-C4'-P energy: -30.204
tors. eta vs tors. theta energy: -44.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -571.633370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.633370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.633370 (E_RNA)
where:
Base-Base interactions energy: -386.273
where: short stacking energy: -164.138
Base-Backbone interact. energy: -0.616
local terms energy: -184.744510
where:
bonds (distance) C4'-P energy: -38.658
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -41.968
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -52.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -527.203921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.203921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.203921 (E_RNA)
where:
Base-Base interactions energy: -330.251
where: short stacking energy: -163.031
Base-Backbone interact. energy: -0.415
local terms energy: -196.537727
where:
bonds (distance) C4'-P energy: -38.314
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -34.289
flat angles P-C4'-P energy: -34.282
tors. eta vs tors. theta energy: -52.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -309.469569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.469569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.469569 (E_RNA)
where:
Base-Base interactions energy: -172.425
where: short stacking energy: -78.829
Base-Backbone interact. energy: -1.012
local terms energy: -136.032628
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -31.010
flat angles C4'-P-C4' energy: -41.097
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -212.887404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.887404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.887404 (E_RNA)
where:
Base-Base interactions energy: -90.034
where: short stacking energy: -65.394
Base-Backbone interact. energy: -0.168
local terms energy: -122.684719
where:
bonds (distance) C4'-P energy: -42.209
bonds (distance) P-C4' energy: -29.332
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -4.271
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: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -176.898661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.898661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.898661 (E_RNA)
where:
Base-Base interactions energy: -58.843
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.660
local terms energy: -117.395759
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -42.967
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -25.249
tors. eta vs tors. theta energy: 0.733
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: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -171.825238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.825238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.825238 (E_RNA)
where:
Base-Base interactions energy: -72.358
where: short stacking energy: -46.248
Base-Backbone interact. energy: -0.704
local terms energy: -98.762922
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -27.767
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: 9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -680.214381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.214381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.214381 (E_RNA)
where:
Base-Base interactions energy: -458.735
where: short stacking energy: -191.568
Base-Backbone interact. energy: -0.819
local terms energy: -220.660480
where:
bonds (distance) C4'-P energy: -40.406
bonds (distance) P-C4' energy: -43.202
flat angles C4'-P-C4' energy: -45.540
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -54.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -677.397348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.397348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.397348 (E_RNA)
where:
Base-Base interactions energy: -468.588
where: short stacking energy: -189.586
Base-Backbone interact. energy: -2.381
local terms energy: -206.428561
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -36.620
flat angles C4'-P-C4' energy: -42.891
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -54.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -661.474049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.474049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.474049 (E_RNA)
where:
Base-Base interactions energy: -462.937
where: short stacking energy: -192.517
Base-Backbone interact. energy: -1.319
local terms energy: -197.218326
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -36.848
flat angles C4'-P-C4' energy: -42.573
flat angles P-C4'-P energy: -27.683
tors. eta vs tors. theta energy: -60.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -594.334354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.334354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.334354 (E_RNA)
where:
Base-Base interactions energy: -383.214
where: short stacking energy: -166.193
Base-Backbone interact. energy: 2.020
local terms energy: -213.140202
where:
bonds (distance) C4'-P energy: -45.507
bonds (distance) P-C4' energy: -46.345
flat angles C4'-P-C4' energy: -42.561
flat angles P-C4'-P energy: -26.701
tors. eta vs tors. theta energy: -52.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -517.452571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.452571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.452571 (E_RNA)
where:
Base-Base interactions energy: -336.594
where: short stacking energy: -146.216
Base-Backbone interact. energy: 1.694
local terms energy: -182.553272
where:
bonds (distance) C4'-P energy: -40.133
bonds (distance) P-C4' energy: -35.998
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: -38.877
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: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -525.332353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.332353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.332353 (E_RNA)
where:
Base-Base interactions energy: -338.044
where: short stacking energy: -165.652
Base-Backbone interact. energy: -0.071
local terms energy: -187.217297
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -42.275
flat angles C4'-P-C4' energy: -34.759
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -52.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -338.070638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.070638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.070638 (E_RNA)
where:
Base-Base interactions energy: -200.435
where: short stacking energy: -105.648
Base-Backbone interact. energy: 1.037
local terms energy: -138.673118
where:
bonds (distance) C4'-P energy: -30.636
bonds (distance) P-C4' energy: -33.743
flat angles C4'-P-C4' energy: -39.066
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -19.422
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: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -205.543866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.543866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.543866 (E_RNA)
where:
Base-Base interactions energy: -68.707
where: short stacking energy: -65.261
Base-Backbone interact. energy: -1.364
local terms energy: -135.473437
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -43.019
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -15.140
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: 268
Temperature: 1.300000
Total energy: -174.956638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.956638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.956638 (E_RNA)
where:
Base-Base interactions energy: -49.568
where: short stacking energy: -40.027
Base-Backbone interact. energy: 1.117
local terms energy: -126.505285
where:
bonds (distance) C4'-P energy: -40.110
bonds (distance) P-C4' energy: -34.857
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: 4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -180.253891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.253891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.253891 (E_RNA)
where:
Base-Base interactions energy: -54.684
where: short stacking energy: -43.019
Base-Backbone interact. energy: 0.100
local terms energy: -125.669962
where:
bonds (distance) C4'-P energy: -32.737
bonds (distance) P-C4' energy: -38.882
flat angles C4'-P-C4' energy: -35.640
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: 1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -695.177155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.177155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.177155 (E_RNA)
where:
Base-Base interactions energy: -485.484
where: short stacking energy: -185.632
Base-Backbone interact. energy: -0.813
local terms energy: -208.879785
where:
bonds (distance) C4'-P energy: -36.290
bonds (distance) P-C4' energy: -42.602
flat angles C4'-P-C4' energy: -47.543
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -54.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -688.103403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.103403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.103403 (E_RNA)
where:
Base-Base interactions energy: -488.198
where: short stacking energy: -190.670
Base-Backbone interact. energy: -0.378
local terms energy: -199.527805
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -41.445
flat angles P-C4'-P energy: -28.871
tors. eta vs tors. theta energy: -50.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -668.351307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.351307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.351307 (E_RNA)
where:
Base-Base interactions energy: -450.591
where: short stacking energy: -192.162
Base-Backbone interact. energy: -0.692
local terms energy: -217.068248
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -39.284
flat angles C4'-P-C4' energy: -48.249
flat angles P-C4'-P energy: -31.210
tors. eta vs tors. theta energy: -63.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -570.449394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.449394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.449394 (E_RNA)
where:
Base-Base interactions energy: -382.698
where: short stacking energy: -163.825
Base-Backbone interact. energy: -0.137
local terms energy: -187.614395
where:
bonds (distance) C4'-P energy: -35.526
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -41.759
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -48.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -539.857484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.857484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.857484 (E_RNA)
where:
Base-Base interactions energy: -361.373
where: short stacking energy: -157.398
Base-Backbone interact. energy: 0.615
local terms energy: -179.100222
where:
bonds (distance) C4'-P energy: -33.530
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -37.392
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: -50.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -481.110502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.110502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.110502 (E_RNA)
where:
Base-Base interactions energy: -305.432
where: short stacking energy: -148.019
Base-Backbone interact. energy: 1.283
local terms energy: -176.962089
where:
bonds (distance) C4'-P energy: -36.518
bonds (distance) P-C4' energy: -42.522
flat angles C4'-P-C4' energy: -32.735
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -38.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -362.052849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.052849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.052849 (E_RNA)
where:
Base-Base interactions energy: -197.603
where: short stacking energy: -88.538
Base-Backbone interact. energy: -1.400
local terms energy: -163.049991
where:
bonds (distance) C4'-P energy: -39.751
bonds (distance) P-C4' energy: -39.284
flat angles C4'-P-C4' energy: -38.003
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -21.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -222.732802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.732802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.732802 (E_RNA)
where:
Base-Base interactions energy: -100.609
where: short stacking energy: -57.740
Base-Backbone interact. energy: -0.928
local terms energy: -121.196133
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -36.180
flat angles P-C4'-P energy: -24.811
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: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -168.965042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.965042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.965042 (E_RNA)
where:
Base-Base interactions energy: -36.398
where: short stacking energy: -35.395
Base-Backbone interact. energy: 2.882
local terms energy: -135.449613
where:
bonds (distance) C4'-P energy: -36.421
bonds (distance) P-C4' energy: -45.734
flat angles C4'-P-C4' energy: -37.478
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: 6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -172.791750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.791750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.791750 (E_RNA)
where:
Base-Base interactions energy: -76.231
where: short stacking energy: -59.852
Base-Backbone interact. energy: 2.013
local terms energy: -98.573076
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -37.832
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -12.849
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: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -676.272614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.272614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.272614 (E_RNA)
where:
Base-Base interactions energy: -470.701
where: short stacking energy: -188.405
Base-Backbone interact. energy: -1.254
local terms energy: -204.317148
where:
bonds (distance) C4'-P energy: -39.264
bonds (distance) P-C4' energy: -37.233
flat angles C4'-P-C4' energy: -43.454
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -56.082
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: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -661.887452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.887452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.887452 (E_RNA)
where:
Base-Base interactions energy: -464.440
where: short stacking energy: -180.777
Base-Backbone interact. energy: 1.214
local terms energy: -198.662068
where:
bonds (distance) C4'-P energy: -35.340
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -54.837
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: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -659.243956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.243956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.243956 (E_RNA)
where:
Base-Base interactions energy: -463.655
where: short stacking energy: -183.389
Base-Backbone interact. energy: -0.884
local terms energy: -194.704935
where:
bonds (distance) C4'-P energy: -34.344
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -42.251
flat angles P-C4'-P energy: -23.981
tors. eta vs tors. theta energy: -59.177
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: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -568.559376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.559376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.559376 (E_RNA)
where:
Base-Base interactions energy: -373.546
where: short stacking energy: -148.583
Base-Backbone interact. energy: 0.891
local terms energy: -195.904251
where:
bonds (distance) C4'-P energy: -42.259
bonds (distance) P-C4' energy: -43.048
flat angles C4'-P-C4' energy: -40.210
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -41.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -539.961647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.961647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.961647 (E_RNA)
where:
Base-Base interactions energy: -349.177
where: short stacking energy: -168.832
Base-Backbone interact. energy: -1.624
local terms energy: -189.160943
where:
bonds (distance) C4'-P energy: -37.079
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -42.307
flat angles P-C4'-P energy: -21.815
tors. eta vs tors. theta energy: -53.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -528.522469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.522469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.522469 (E_RNA)
where:
Base-Base interactions energy: -342.896
where: short stacking energy: -168.308
Base-Backbone interact. energy: -0.632
local terms energy: -184.994161
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -40.634
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: -54.600
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: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -363.515349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.515349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.515349 (E_RNA)
where:
Base-Base interactions energy: -227.935
where: short stacking energy: -85.370
Base-Backbone interact. energy: 4.066
local terms energy: -139.646298
where:
bonds (distance) C4'-P energy: -38.850
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -15.749
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: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -201.569659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.569659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.569659 (E_RNA)
where:
Base-Base interactions energy: -57.521
where: short stacking energy: -56.656
Base-Backbone interact. energy: -1.039
local terms energy: -143.009494
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -30.764
tors. eta vs tors. theta energy: 4.787
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: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -178.445198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.445198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.445198 (E_RNA)
where:
Base-Base interactions energy: -59.243
where: short stacking energy: -40.490
Base-Backbone interact. energy: 0.957
local terms energy: -120.158972
where:
bonds (distance) C4'-P energy: -33.219
bonds (distance) P-C4' energy: -36.010
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: 6.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -173.392505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.392505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.392505 (E_RNA)
where:
Base-Base interactions energy: -61.252
where: short stacking energy: -34.088
Base-Backbone interact. energy: 2.540
local terms energy: -114.680202
where:
bonds (distance) C4'-P energy: -36.636
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -33.055
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: 4.252
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: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -675.859213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.859213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.859213 (E_RNA)
where:
Base-Base interactions energy: -478.622
where: short stacking energy: -181.641
Base-Backbone interact. energy: -0.796
local terms energy: -196.441614
where:
bonds (distance) C4'-P energy: -42.568
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -44.941
flat angles P-C4'-P energy: -29.429
tors. eta vs tors. theta energy: -49.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -674.060830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.060830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.060830 (E_RNA)
where:
Base-Base interactions energy: -466.959
where: short stacking energy: -192.734
Base-Backbone interact. energy: -1.114
local terms energy: -205.988182
where:
bonds (distance) C4'-P energy: -42.996
bonds (distance) P-C4' energy: -35.021
flat angles C4'-P-C4' energy: -40.033
flat angles P-C4'-P energy: -32.783
tors. eta vs tors. theta energy: -55.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -681.129049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.129049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.129049 (E_RNA)
where:
Base-Base interactions energy: -469.139
where: short stacking energy: -184.101
Base-Backbone interact. energy: -1.227
local terms energy: -210.763771
where:
bonds (distance) C4'-P energy: -39.134
bonds (distance) P-C4' energy: -42.396
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -25.117
tors. eta vs tors. theta energy: -57.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -571.239982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.239982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.239982 (E_RNA)
where:
Base-Base interactions energy: -370.052
where: short stacking energy: -178.996
Base-Backbone interact. energy: -0.596
local terms energy: -200.591975
where:
bonds (distance) C4'-P energy: -39.645
bonds (distance) P-C4' energy: -39.403
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -55.837
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: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -542.704711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.704711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.704711 (E_RNA)
where:
Base-Base interactions energy: -356.200
where: short stacking energy: -146.520
Base-Backbone interact. energy: -2.401
local terms energy: -184.103986
where:
bonds (distance) C4'-P energy: -39.480
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -27.688
tors. eta vs tors. theta energy: -42.732
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: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -507.045894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.045894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.045894 (E_RNA)
where:
Base-Base interactions energy: -335.259
where: short stacking energy: -146.610
Base-Backbone interact. energy: -0.668
local terms energy: -171.118013
where:
bonds (distance) C4'-P energy: -37.107
bonds (distance) P-C4' energy: -30.124
flat angles C4'-P-C4' energy: -35.173
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -45.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -302.853528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.853528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.853528 (E_RNA)
where:
Base-Base interactions energy: -183.843
where: short stacking energy: -91.690
Base-Backbone interact. energy: 1.831
local terms energy: -120.842155
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -35.344
flat angles P-C4'-P energy: -25.776
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: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -209.622501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.622501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.622501 (E_RNA)
where:
Base-Base interactions energy: -90.817
where: short stacking energy: -65.309
Base-Backbone interact. energy: 1.747
local terms energy: -120.552587
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -39.343
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -180.175337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.175337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.175337 (E_RNA)
where:
Base-Base interactions energy: -62.500
where: short stacking energy: -51.464
Base-Backbone interact. energy: -0.343
local terms energy: -117.332506
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -30.175
flat angles C4'-P-C4' energy: -27.766
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -169.801520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.801520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.801520 (E_RNA)
where:
Base-Base interactions energy: -43.530
where: short stacking energy: -42.604
Base-Backbone interact. energy: -0.612
local terms energy: -125.659131
where:
bonds (distance) C4'-P energy: -35.914
bonds (distance) P-C4' energy: -38.777
flat angles C4'-P-C4' energy: -38.347
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -686.597968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.597968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.597968 (E_RNA)
where:
Base-Base interactions energy: -481.344
where: short stacking energy: -192.573
Base-Backbone interact. energy: -0.933
local terms energy: -204.321636
where:
bonds (distance) C4'-P energy: -40.287
bonds (distance) P-C4' energy: -40.157
flat angles C4'-P-C4' energy: -43.317
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -52.579
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: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -656.285570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.285570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.285570 (E_RNA)
where:
Base-Base interactions energy: -466.808
where: short stacking energy: -174.835
Base-Backbone interact. energy: 2.394
local terms energy: -191.871729
where:
bonds (distance) C4'-P energy: -35.658
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -42.867
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -47.381
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: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -645.701342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.701342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.701342 (E_RNA)
where:
Base-Base interactions energy: -455.900
where: short stacking energy: -167.367
Base-Backbone interact. energy: -0.360
local terms energy: -189.441388
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -32.680
flat angles P-C4'-P energy: -25.600
tors. eta vs tors. theta energy: -57.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -568.615630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.615630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.615630 (E_RNA)
where:
Base-Base interactions energy: -374.904
where: short stacking energy: -181.085
Base-Backbone interact. energy: -0.267
local terms energy: -193.444945
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -45.621
flat angles P-C4'-P energy: -29.817
tors. eta vs tors. theta energy: -49.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -549.532332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.532332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.532332 (E_RNA)
where:
Base-Base interactions energy: -357.640
where: short stacking energy: -147.883
Base-Backbone interact. energy: -2.255
local terms energy: -189.637608
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -36.892
flat angles C4'-P-C4' energy: -40.117
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -44.915
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: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -538.385265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.385265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.385265 (E_RNA)
where:
Base-Base interactions energy: -368.595
where: short stacking energy: -159.808
Base-Backbone interact. energy: 1.472
local terms energy: -171.262810
where:
bonds (distance) C4'-P energy: -35.911
bonds (distance) P-C4' energy: -31.579
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -45.270
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: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -316.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.168486 (E_RNA)
where:
Base-Base interactions energy: -192.903
where: short stacking energy: -109.637
Base-Backbone interact. energy: 1.650
local terms energy: -124.914663
where:
bonds (distance) C4'-P energy: -34.580
bonds (distance) P-C4' energy: -29.508
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -205.840586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.840586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.840586 (E_RNA)
where:
Base-Base interactions energy: -82.397
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.749
local terms energy: -122.695231
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -44.110
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -11.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -180.315355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.315355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.315355 (E_RNA)
where:
Base-Base interactions energy: -50.522
where: short stacking energy: -45.603
Base-Backbone interact. energy: 1.783
local terms energy: -131.575823
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -45.042
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -175.332154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.332154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.332154 (E_RNA)
where:
Base-Base interactions energy: -71.078
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.793
local terms energy: -103.460921
where:
bonds (distance) C4'-P energy: -34.506
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -1.908
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: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -679.215048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.215048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.215048 (E_RNA)
where:
Base-Base interactions energy: -461.393
where: short stacking energy: -178.234
Base-Backbone interact. energy: -1.382
local terms energy: -216.440018
where:
bonds (distance) C4'-P energy: -41.313
bonds (distance) P-C4' energy: -41.486
flat angles C4'-P-C4' energy: -44.601
flat angles P-C4'-P energy: -27.442
tors. eta vs tors. theta energy: -61.598
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: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -640.989757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.989757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.989757 (E_RNA)
where:
Base-Base interactions energy: -447.076
where: short stacking energy: -171.752
Base-Backbone interact. energy: -1.236
local terms energy: -192.678158
where:
bonds (distance) C4'-P energy: -37.380
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -43.937
flat angles P-C4'-P energy: -29.020
tors. eta vs tors. theta energy: -48.137
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: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -648.022356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.022356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.022356 (E_RNA)
where:
Base-Base interactions energy: -471.480
where: short stacking energy: -188.951
Base-Backbone interact. energy: -0.365
local terms energy: -176.177888
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -29.567
flat angles C4'-P-C4' energy: -40.451
flat angles P-C4'-P energy: -29.223
tors. eta vs tors. theta energy: -47.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -559.041724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.041724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.041724 (E_RNA)
where:
Base-Base interactions energy: -375.280
where: short stacking energy: -152.903
Base-Backbone interact. energy: -2.873
local terms energy: -180.887825
where:
bonds (distance) C4'-P energy: -35.049
bonds (distance) P-C4' energy: -37.623
flat angles C4'-P-C4' energy: -33.048
flat angles P-C4'-P energy: -30.058
tors. eta vs tors. theta energy: -45.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -553.465824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.465824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.465824 (E_RNA)
where:
Base-Base interactions energy: -369.378
where: short stacking energy: -171.930
Base-Backbone interact. energy: -0.247
local terms energy: -183.840843
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -43.052
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -52.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -529.551375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.551375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.551375 (E_RNA)
where:
Base-Base interactions energy: -341.564
where: short stacking energy: -145.676
Base-Backbone interact. energy: -1.098
local terms energy: -186.889740
where:
bonds (distance) C4'-P energy: -43.185
bonds (distance) P-C4' energy: -38.614
flat angles C4'-P-C4' energy: -41.842
flat angles P-C4'-P energy: -23.990
tors. eta vs tors. theta energy: -39.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -297.612042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.612042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.612042 (E_RNA)
where:
Base-Base interactions energy: -156.964
where: short stacking energy: -84.522
Base-Backbone interact. energy: -1.198
local terms energy: -139.450352
where:
bonds (distance) C4'-P energy: -37.289
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -204.009180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.009180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.009180 (E_RNA)
where:
Base-Base interactions energy: -65.209
where: short stacking energy: -53.726
Base-Backbone interact. energy: 0.519
local terms energy: -139.319003
where:
bonds (distance) C4'-P energy: -42.654
bonds (distance) P-C4' energy: -40.461
flat angles C4'-P-C4' energy: -33.929
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: 1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -187.294893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.294893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.294893 (E_RNA)
where:
Base-Base interactions energy: -72.284
where: short stacking energy: -58.220
Base-Backbone interact. energy: -1.592
local terms energy: -113.418455
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -8.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -168.731349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.731349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.731349 (E_RNA)
where:
Base-Base interactions energy: -54.690
where: short stacking energy: -51.497
Base-Backbone interact. energy: -0.932
local terms energy: -113.108859
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -31.729
flat angles C4'-P-C4' energy: -34.111
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: 1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -676.808298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.808298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.808298 (E_RNA)
where:
Base-Base interactions energy: -473.032
where: short stacking energy: -193.561
Base-Backbone interact. energy: -0.545
local terms energy: -203.232196
where:
bonds (distance) C4'-P energy: -39.993
bonds (distance) P-C4' energy: -41.448
flat angles C4'-P-C4' energy: -43.835
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -51.299
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: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -665.743188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.743188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.743188 (E_RNA)
where:
Base-Base interactions energy: -459.761
where: short stacking energy: -192.822
Base-Backbone interact. energy: -0.630
local terms energy: -205.351986
where:
bonds (distance) C4'-P energy: -36.896
bonds (distance) P-C4' energy: -37.013
flat angles C4'-P-C4' energy: -50.525
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -56.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -652.320712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.320712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.320712 (E_RNA)
where:
Base-Base interactions energy: -463.980
where: short stacking energy: -189.739
Base-Backbone interact. energy: -1.120
local terms energy: -187.220178
where:
bonds (distance) C4'-P energy: -32.746
bonds (distance) P-C4' energy: -33.955
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -52.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -546.837384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.837384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.837384 (E_RNA)
where:
Base-Base interactions energy: -353.152
where: short stacking energy: -157.614
Base-Backbone interact. energy: -1.185
local terms energy: -192.500745
where:
bonds (distance) C4'-P energy: -39.796
bonds (distance) P-C4' energy: -38.976
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -28.703
tors. eta vs tors. theta energy: -45.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -546.176346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.176346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.176346 (E_RNA)
where:
Base-Base interactions energy: -344.489
where: short stacking energy: -164.183
Base-Backbone interact. energy: -0.834
local terms energy: -200.853520
where:
bonds (distance) C4'-P energy: -40.784
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -43.490
flat angles P-C4'-P energy: -27.837
tors. eta vs tors. theta energy: -56.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -547.648883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.648883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.648883 (E_RNA)
where:
Base-Base interactions energy: -367.614
where: short stacking energy: -151.909
Base-Backbone interact. energy: -1.153
local terms energy: -178.882463
where:
bonds (distance) C4'-P energy: -33.628
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -42.484
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -50.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -340.186778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.186778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.186778 (E_RNA)
where:
Base-Base interactions energy: -196.065
where: short stacking energy: -100.250
Base-Backbone interact. energy: -0.204
local terms energy: -143.918300
where:
bonds (distance) C4'-P energy: -26.628
bonds (distance) P-C4' energy: -38.471
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -210.570310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.570310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.570310 (E_RNA)
where:
Base-Base interactions energy: -86.798
where: short stacking energy: -61.651
Base-Backbone interact. energy: 0.685
local terms energy: -124.457324
where:
bonds (distance) C4'-P energy: -36.297
bonds (distance) P-C4' energy: -33.929
flat angles C4'-P-C4' energy: -30.736
flat angles P-C4'-P energy: -18.509
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: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -179.567572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.567572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.567572 (E_RNA)
where:
Base-Base interactions energy: -61.648
where: short stacking energy: -53.764
Base-Backbone interact. energy: -0.143
local terms energy: -117.776840
where:
bonds (distance) C4'-P energy: -28.947
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -29.703
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: 1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -174.464566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.464566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.464566 (E_RNA)
where:
Base-Base interactions energy: -66.446
where: short stacking energy: -51.630
Base-Backbone interact. energy: -0.576
local terms energy: -107.443183
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -28.809
flat angles C4'-P-C4' energy: -37.852
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: 8.466
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: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -691.404580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.404580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.404580 (E_RNA)
where:
Base-Base interactions energy: -484.056
where: short stacking energy: -180.307
Base-Backbone interact. energy: -0.808
local terms energy: -206.539975
where:
bonds (distance) C4'-P energy: -37.765
bonds (distance) P-C4' energy: -43.274
flat angles C4'-P-C4' energy: -44.601
flat angles P-C4'-P energy: -26.599
tors. eta vs tors. theta energy: -54.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -665.016569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.016569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.016569 (E_RNA)
where:
Base-Base interactions energy: -454.510
where: short stacking energy: -181.792
Base-Backbone interact. energy: -0.731
local terms energy: -209.775708
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -45.149
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -32.150
tors. eta vs tors. theta energy: -57.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -649.757048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.757048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.757048 (E_RNA)
where:
Base-Base interactions energy: -452.311
where: short stacking energy: -175.815
Base-Backbone interact. energy: 0.537
local terms energy: -197.982559
where:
bonds (distance) C4'-P energy: -38.653
bonds (distance) P-C4' energy: -41.071
flat angles C4'-P-C4' energy: -43.318
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -49.910
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: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -570.642770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.642770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.642770 (E_RNA)
where:
Base-Base interactions energy: -383.257
where: short stacking energy: -163.836
Base-Backbone interact. energy: -1.078
local terms energy: -186.308273
where:
bonds (distance) C4'-P energy: -39.509
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -47.964
flat angles P-C4'-P energy: -25.758
tors. eta vs tors. theta energy: -46.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -504.876234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.876234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.876234 (E_RNA)
where:
Base-Base interactions energy: -311.257
where: short stacking energy: -139.383
Base-Backbone interact. energy: -0.328
local terms energy: -193.291573
where:
bonds (distance) C4'-P energy: -37.582
bonds (distance) P-C4' energy: -39.886
flat angles C4'-P-C4' energy: -43.585
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -47.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -529.278957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.278957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.278957 (E_RNA)
where:
Base-Base interactions energy: -355.505
where: short stacking energy: -157.358
Base-Backbone interact. energy: -0.200
local terms energy: -173.574225
where:
bonds (distance) C4'-P energy: -30.230
bonds (distance) P-C4' energy: -32.600
flat angles C4'-P-C4' energy: -35.909
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -49.618
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: 275
Temperature: 1.200000
Total energy: -344.907252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.907252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.907252 (E_RNA)
where:
Base-Base interactions energy: -208.250
where: short stacking energy: -95.317
Base-Backbone interact. energy: 0.726
local terms energy: -137.383528
where:
bonds (distance) C4'-P energy: -36.948
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -30.374
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -215.577040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.577040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.577040 (E_RNA)
where:
Base-Base interactions energy: -75.203
where: short stacking energy: -70.670
Base-Backbone interact. energy: 1.038
local terms energy: -141.412211
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -38.029
flat angles C4'-P-C4' energy: -40.935
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -183.219586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.219586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.219586 (E_RNA)
where:
Base-Base interactions energy: -69.533
where: short stacking energy: -41.321
Base-Backbone interact. energy: -2.154
local terms energy: -111.531889
where:
bonds (distance) C4'-P energy: -33.867
bonds (distance) P-C4' energy: -36.652
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: 9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -170.667522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.667522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.667522 (E_RNA)
where:
Base-Base interactions energy: -65.467
where: short stacking energy: -54.911
Base-Backbone interact. energy: 0.414
local terms energy: -105.614591
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -681.976412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.976412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.976412 (E_RNA)
where:
Base-Base interactions energy: -497.322
where: short stacking energy: -193.730
Base-Backbone interact. energy: 1.683
local terms energy: -186.337375
where:
bonds (distance) C4'-P energy: -28.236
bonds (distance) P-C4' energy: -35.767
flat angles C4'-P-C4' energy: -39.337
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -54.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -662.467754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.467754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.467754 (E_RNA)
where:
Base-Base interactions energy: -458.115
where: short stacking energy: -183.691
Base-Backbone interact. energy: -2.005
local terms energy: -202.347866
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -39.814
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -53.864
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: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -646.126174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.126174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.126174 (E_RNA)
where:
Base-Base interactions energy: -451.907
where: short stacking energy: -183.170
Base-Backbone interact. energy: -1.569
local terms energy: -192.650093
where:
bonds (distance) C4'-P energy: -34.898
bonds (distance) P-C4' energy: -35.730
flat angles C4'-P-C4' energy: -38.981
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: -49.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -565.883366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.883366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.883366 (E_RNA)
where:
Base-Base interactions energy: -379.066
where: short stacking energy: -154.655
Base-Backbone interact. energy: -0.394
local terms energy: -186.422855
where:
bonds (distance) C4'-P energy: -34.746
bonds (distance) P-C4' energy: -36.174
flat angles C4'-P-C4' energy: -41.316
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: -50.634
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: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -556.676339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.676339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.676339 (E_RNA)
where:
Base-Base interactions energy: -384.440
where: short stacking energy: -164.604
Base-Backbone interact. energy: -0.422
local terms energy: -171.814969
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -32.058
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -51.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -510.271791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.271791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.271791 (E_RNA)
where:
Base-Base interactions energy: -309.992
where: short stacking energy: -159.698
Base-Backbone interact. energy: -0.308
local terms energy: -199.971402
where:
bonds (distance) C4'-P energy: -31.569
bonds (distance) P-C4' energy: -44.871
flat angles C4'-P-C4' energy: -41.425
flat angles P-C4'-P energy: -31.497
tors. eta vs tors. theta energy: -50.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -320.795463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.795463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.795463 (E_RNA)
where:
Base-Base interactions energy: -191.722
where: short stacking energy: -75.680
Base-Backbone interact. energy: -1.248
local terms energy: -127.825006
where:
bonds (distance) C4'-P energy: -39.882
bonds (distance) P-C4' energy: -36.611
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -6.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -199.023495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.023495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.023495 (E_RNA)
where:
Base-Base interactions energy: -84.576
where: short stacking energy: -64.386
Base-Backbone interact. energy: 0.211
local terms energy: -114.658509
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -41.759
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -0.495
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: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -180.921213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.921213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.921213 (E_RNA)
where:
Base-Base interactions energy: -54.856
where: short stacking energy: -51.115
Base-Backbone interact. energy: 1.071
local terms energy: -127.135909
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -40.855
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -193.451073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.451073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.451073 (E_RNA)
where:
Base-Base interactions energy: -77.462
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.462
local terms energy: -115.527532
where:
bonds (distance) C4'-P energy: -30.686
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -11.381
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: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -684.591108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.591108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.591108 (E_RNA)
where:
Base-Base interactions energy: -489.247
where: short stacking energy: -186.900
Base-Backbone interact. energy: -1.220
local terms energy: -194.124150
where:
bonds (distance) C4'-P energy: -37.068
bonds (distance) P-C4' energy: -41.420
flat angles C4'-P-C4' energy: -39.804
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -54.406
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: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -664.216839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.216839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.216839 (E_RNA)
where:
Base-Base interactions energy: -460.361
where: short stacking energy: -195.274
Base-Backbone interact. energy: -0.435
local terms energy: -203.420042
where:
bonds (distance) C4'-P energy: -43.606
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -43.383
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -57.671
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -661.420606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.420606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.420606 (E_RNA)
where:
Base-Base interactions energy: -455.784
where: short stacking energy: -182.833
Base-Backbone interact. energy: 0.547
local terms energy: -206.183026
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -39.825
flat angles C4'-P-C4' energy: -45.194
flat angles P-C4'-P energy: -29.106
tors. eta vs tors. theta energy: -58.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -575.397789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.397789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.397789 (E_RNA)
where:
Base-Base interactions energy: -382.911
where: short stacking energy: -165.287
Base-Backbone interact. energy: -0.348
local terms energy: -192.139031
where:
bonds (distance) C4'-P energy: -39.101
bonds (distance) P-C4' energy: -41.773
flat angles C4'-P-C4' energy: -41.578
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -50.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -571.379583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.379583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.379583 (E_RNA)
where:
Base-Base interactions energy: -374.075
where: short stacking energy: -170.632
Base-Backbone interact. energy: -0.894
local terms energy: -196.410102
where:
bonds (distance) C4'-P energy: -35.621
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -46.097
flat angles P-C4'-P energy: -31.709
tors. eta vs tors. theta energy: -48.650
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: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -491.207244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.207244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.207244 (E_RNA)
where:
Base-Base interactions energy: -306.163
where: short stacking energy: -161.607
Base-Backbone interact. energy: 2.023
local terms energy: -187.067687
where:
bonds (distance) C4'-P energy: -32.146
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -45.118
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -42.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -310.606686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.606686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.606686 (E_RNA)
where:
Base-Base interactions energy: -171.207
where: short stacking energy: -100.518
Base-Backbone interact. energy: 3.349
local terms energy: -142.749296
where:
bonds (distance) C4'-P energy: -34.390
bonds (distance) P-C4' energy: -33.315
flat angles C4'-P-C4' energy: -29.973
flat angles P-C4'-P energy: -24.992
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -196.257843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.257843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.257843 (E_RNA)
where:
Base-Base interactions energy: -69.872
where: short stacking energy: -59.093
Base-Backbone interact. energy: -0.685
local terms energy: -125.701091
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -39.544
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -4.902
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: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -176.015795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.015795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.015795 (E_RNA)
where:
Base-Base interactions energy: -54.485
where: short stacking energy: -48.768
Base-Backbone interact. energy: 0.951
local terms energy: -122.481366
where:
bonds (distance) C4'-P energy: -24.749
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -38.475
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -177.907703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.907703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.907703 (E_RNA)
where:
Base-Base interactions energy: -57.943
where: short stacking energy: -47.514
Base-Backbone interact. energy: -0.493
local terms energy: -119.470841
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -40.885
flat angles C4'-P-C4' energy: -33.064
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: 0.877
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: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -681.023490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.023490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.023490 (E_RNA)
where:
Base-Base interactions energy: -474.274
where: short stacking energy: -190.681
Base-Backbone interact. energy: 1.243
local terms energy: -207.993306
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -42.637
flat angles C4'-P-C4' energy: -47.399
flat angles P-C4'-P energy: -30.298
tors. eta vs tors. theta energy: -55.607
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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -669.030779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.030779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.030779 (E_RNA)
where:
Base-Base interactions energy: -465.995
where: short stacking energy: -177.835
Base-Backbone interact. energy: -0.440
local terms energy: -202.596095
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -40.632
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -60.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -647.906099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.906099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.906099 (E_RNA)
where:
Base-Base interactions energy: -451.707
where: short stacking energy: -178.487
Base-Backbone interact. energy: -1.384
local terms energy: -194.815183
where:
bonds (distance) C4'-P energy: -42.675
bonds (distance) P-C4' energy: -38.853
flat angles C4'-P-C4' energy: -38.164
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -51.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -561.364646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.364646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.364646 (E_RNA)
where:
Base-Base interactions energy: -378.522
where: short stacking energy: -166.615
Base-Backbone interact. energy: -0.252
local terms energy: -182.590384
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -31.349
flat angles C4'-P-C4' energy: -41.938
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -46.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -556.017059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.017059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.017059 (E_RNA)
where:
Base-Base interactions energy: -367.054
where: short stacking energy: -156.487
Base-Backbone interact. energy: -1.275
local terms energy: -187.688359
where:
bonds (distance) C4'-P energy: -35.297
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -41.231
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: -47.875
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: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -472.353402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.353402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.353402 (E_RNA)
where:
Base-Base interactions energy: -291.341
where: short stacking energy: -134.190
Base-Backbone interact. energy: -1.027
local terms energy: -179.985273
where:
bonds (distance) C4'-P energy: -29.149
bonds (distance) P-C4' energy: -38.344
flat angles C4'-P-C4' energy: -46.487
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -40.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -318.865692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.865692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.865692 (E_RNA)
where:
Base-Base interactions energy: -179.710
where: short stacking energy: -103.031
Base-Backbone interact. energy: 0.589
local terms energy: -139.745073
where:
bonds (distance) C4'-P energy: -40.157
bonds (distance) P-C4' energy: -30.806
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -19.574
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: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -211.186604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.186604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.186604 (E_RNA)
where:
Base-Base interactions energy: -73.306
where: short stacking energy: -63.457
Base-Backbone interact. energy: 1.104
local terms energy: -138.984933
where:
bonds (distance) C4'-P energy: -34.995
bonds (distance) P-C4' energy: -42.420
flat angles C4'-P-C4' energy: -43.911
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -185.282925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.282925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.282925 (E_RNA)
where:
Base-Base interactions energy: -66.925
where: short stacking energy: -52.658
Base-Backbone interact. energy: -0.025
local terms energy: -118.333385
where:
bonds (distance) C4'-P energy: -32.962
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -29.922
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: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -183.846971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.846971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.846971 (E_RNA)
where:
Base-Base interactions energy: -67.523
where: short stacking energy: -47.158
Base-Backbone interact. energy: 1.525
local terms energy: -117.848895
where:
bonds (distance) C4'-P energy: -40.705
bonds (distance) P-C4' energy: -37.419
flat angles C4'-P-C4' energy: -30.459
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -673.385198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.385198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.385198 (E_RNA)
where:
Base-Base interactions energy: -463.352
where: short stacking energy: -182.327
Base-Backbone interact. energy: -0.729
local terms energy: -209.303809
where:
bonds (distance) C4'-P energy: -37.312
bonds (distance) P-C4' energy: -44.173
flat angles C4'-P-C4' energy: -42.549
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -57.921
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: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -665.670593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.670593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.670593 (E_RNA)
where:
Base-Base interactions energy: -454.291
where: short stacking energy: -171.611
Base-Backbone interact. energy: -0.821
local terms energy: -210.558606
where:
bonds (distance) C4'-P energy: -44.889
bonds (distance) P-C4' energy: -42.636
flat angles C4'-P-C4' energy: -42.778
flat angles P-C4'-P energy: -31.251
tors. eta vs tors. theta energy: -49.005
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: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -663.961998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.961998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.961998 (E_RNA)
where:
Base-Base interactions energy: -466.878
where: short stacking energy: -188.737
Base-Backbone interact. energy: -0.698
local terms energy: -196.386284
where:
bonds (distance) C4'-P energy: -35.907
bonds (distance) P-C4' energy: -36.808
flat angles C4'-P-C4' energy: -39.368
flat angles P-C4'-P energy: -24.162
tors. eta vs tors. theta energy: -60.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -565.669948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.669948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.669948 (E_RNA)
where:
Base-Base interactions energy: -372.103
where: short stacking energy: -168.074
Base-Backbone interact. energy: -2.770
local terms energy: -190.796903
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -35.128
flat angles C4'-P-C4' energy: -43.651
flat angles P-C4'-P energy: -33.442
tors. eta vs tors. theta energy: -52.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -567.337541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.337541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.337541 (E_RNA)
where:
Base-Base interactions energy: -378.851
where: short stacking energy: -173.785
Base-Backbone interact. energy: -0.136
local terms energy: -188.350629
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -42.280
flat angles C4'-P-C4' energy: -44.626
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -48.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -471.297806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.297806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.297806 (E_RNA)
where:
Base-Base interactions energy: -303.061
where: short stacking energy: -143.838
Base-Backbone interact. energy: -0.819
local terms energy: -167.417860
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -38.730
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -37.079
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: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -304.649781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.649781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.649781 (E_RNA)
where:
Base-Base interactions energy: -159.898
where: short stacking energy: -80.680
Base-Backbone interact. energy: -0.110
local terms energy: -144.641670
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -31.075
flat angles C4'-P-C4' energy: -33.778
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -199.296490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.296490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.296490 (E_RNA)
where:
Base-Base interactions energy: -79.375
where: short stacking energy: -77.386
Base-Backbone interact. energy: -0.847
local terms energy: -119.074970
where:
bonds (distance) C4'-P energy: -38.898
bonds (distance) P-C4' energy: -35.267
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -6.000
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: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -181.641337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.641337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.641337 (E_RNA)
where:
Base-Base interactions energy: -72.195
where: short stacking energy: -63.113
Base-Backbone interact. energy: 1.451
local terms energy: -110.897270
where:
bonds (distance) C4'-P energy: -34.273
bonds (distance) P-C4' energy: -36.522
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -12.773
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: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -166.511857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.511857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.511857 (E_RNA)
where:
Base-Base interactions energy: -63.689
where: short stacking energy: -43.139
Base-Backbone interact. energy: 0.169
local terms energy: -102.991170
where:
bonds (distance) C4'-P energy: -26.842
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -31.086
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: 5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -680.226825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.226825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.226825 (E_RNA)
where:
Base-Base interactions energy: -452.351
where: short stacking energy: -191.141
Base-Backbone interact. energy: -1.307
local terms energy: -226.569301
where:
bonds (distance) C4'-P energy: -41.937
bonds (distance) P-C4' energy: -45.472
flat angles C4'-P-C4' energy: -46.097
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -61.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -670.559508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.559508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.559508 (E_RNA)
where:
Base-Base interactions energy: -470.102
where: short stacking energy: -188.099
Base-Backbone interact. energy: -0.272
local terms energy: -200.186087
where:
bonds (distance) C4'-P energy: -37.737
bonds (distance) P-C4' energy: -40.292
flat angles C4'-P-C4' energy: -41.187
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -54.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -662.466288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.466288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.466288 (E_RNA)
where:
Base-Base interactions energy: -463.455
where: short stacking energy: -187.952
Base-Backbone interact. energy: -0.765
local terms energy: -198.245497
where:
bonds (distance) C4'-P energy: -38.846
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -56.549
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: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -591.814242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.814242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.814242 (E_RNA)
where:
Base-Base interactions energy: -403.995
where: short stacking energy: -172.275
Base-Backbone interact. energy: -0.613
local terms energy: -187.206801
where:
bonds (distance) C4'-P energy: -35.403
bonds (distance) P-C4' energy: -41.998
flat angles C4'-P-C4' energy: -39.821
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -54.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -577.799843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.799843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.799843 (E_RNA)
where:
Base-Base interactions energy: -390.845
where: short stacking energy: -168.268
Base-Backbone interact. energy: -0.191
local terms energy: -186.764037
where:
bonds (distance) C4'-P energy: -34.206
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -45.815
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -48.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -450.075061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.075061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.075061 (E_RNA)
where:
Base-Base interactions energy: -283.207
where: short stacking energy: -133.594
Base-Backbone interact. energy: -1.200
local terms energy: -165.668684
where:
bonds (distance) C4'-P energy: -42.794
bonds (distance) P-C4' energy: -37.795
flat angles C4'-P-C4' energy: -33.053
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -34.919
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: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -352.898160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.898160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.898160 (E_RNA)
where:
Base-Base interactions energy: -197.137
where: short stacking energy: -114.431
Base-Backbone interact. energy: -0.134
local terms energy: -155.627110
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: -24.691
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: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -249.318722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.318722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.318722 (E_RNA)
where:
Base-Base interactions energy: -125.595
where: short stacking energy: -87.037
Base-Backbone interact. energy: -0.358
local terms energy: -123.365134
where:
bonds (distance) C4'-P energy: -29.869
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -177.945671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.945671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.945671 (E_RNA)
where:
Base-Base interactions energy: -75.477
where: short stacking energy: -57.606
Base-Backbone interact. energy: -0.630
local terms energy: -101.838591
where:
bonds (distance) C4'-P energy: -27.870
bonds (distance) P-C4' energy: -30.458
flat angles C4'-P-C4' energy: -30.129
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: 1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -186.222272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.222272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.222272 (E_RNA)
where:
Base-Base interactions energy: -72.057
where: short stacking energy: -44.633
Base-Backbone interact. energy: -0.703
local terms energy: -113.462323
where:
bonds (distance) C4'-P energy: -34.145
bonds (distance) P-C4' energy: -32.400
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: 2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -692.612085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.612085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.612085 (E_RNA)
where:
Base-Base interactions energy: -480.704
where: short stacking energy: -188.377
Base-Backbone interact. energy: -0.686
local terms energy: -211.222185
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -40.296
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -32.917
tors. eta vs tors. theta energy: -58.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -688.533292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.533292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.533292 (E_RNA)
where:
Base-Base interactions energy: -477.786
where: short stacking energy: -196.690
Base-Backbone interact. energy: -1.024
local terms energy: -209.723013
where:
bonds (distance) C4'-P energy: -34.624
bonds (distance) P-C4' energy: -38.811
flat angles C4'-P-C4' energy: -47.533
flat angles P-C4'-P energy: -30.673
tors. eta vs tors. theta energy: -58.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -657.240046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.240046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.240046 (E_RNA)
where:
Base-Base interactions energy: -466.443
where: short stacking energy: -197.352
Base-Backbone interact. energy: 0.300
local terms energy: -191.096675
where:
bonds (distance) C4'-P energy: -36.358
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -42.869
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -54.821
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: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -589.544001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.544001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.544001 (E_RNA)
where:
Base-Base interactions energy: -394.074
where: short stacking energy: -159.440
Base-Backbone interact. energy: -2.026
local terms energy: -193.444189
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -31.335
flat angles C4'-P-C4' energy: -39.618
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -49.074
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: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -558.306057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.306057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.306057 (E_RNA)
where:
Base-Base interactions energy: -387.426
where: short stacking energy: -168.279
Base-Backbone interact. energy: -0.223
local terms energy: -170.657482
where:
bonds (distance) C4'-P energy: -34.962
bonds (distance) P-C4' energy: -36.928
flat angles C4'-P-C4' energy: -33.873
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -43.787
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: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -470.875242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.875242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.875242 (E_RNA)
where:
Base-Base interactions energy: -301.853
where: short stacking energy: -128.380
Base-Backbone interact. energy: 1.897
local terms energy: -170.919629
where:
bonds (distance) C4'-P energy: -40.612
bonds (distance) P-C4' energy: -38.387
flat angles C4'-P-C4' energy: -37.855
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -31.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -343.420349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.420349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.420349 (E_RNA)
where:
Base-Base interactions energy: -198.331
where: short stacking energy: -93.481
Base-Backbone interact. energy: -0.746
local terms energy: -144.344262
where:
bonds (distance) C4'-P energy: -39.708
bonds (distance) P-C4' energy: -39.130
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -287.654184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.654184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.654184 (E_RNA)
where:
Base-Base interactions energy: -156.387
where: short stacking energy: -76.279
Base-Backbone interact. energy: 0.122
local terms energy: -131.389054
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -209.412990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.412990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.412990 (E_RNA)
where:
Base-Base interactions energy: -89.394
where: short stacking energy: -60.314
Base-Backbone interact. energy: 2.322
local terms energy: -122.341471
where:
bonds (distance) C4'-P energy: -37.738
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -29.653
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -195.587451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.587451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.587451 (E_RNA)
where:
Base-Base interactions energy: -86.440
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.432
local terms energy: -108.715916
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -32.920
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: 0.453
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: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -712.999886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.999886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.999886 (E_RNA)
where:
Base-Base interactions energy: -495.365
where: short stacking energy: -193.773
Base-Backbone interact. energy: -1.016
local terms energy: -216.618419
where:
bonds (distance) C4'-P energy: -38.466
bonds (distance) P-C4' energy: -45.852
flat angles C4'-P-C4' energy: -42.553
flat angles P-C4'-P energy: -25.517
tors. eta vs tors. theta energy: -64.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -653.063889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.063889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.063889 (E_RNA)
where:
Base-Base interactions energy: -451.880
where: short stacking energy: -186.838
Base-Backbone interact. energy: 0.052
local terms energy: -201.236262
where:
bonds (distance) C4'-P energy: -41.118
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -41.191
flat angles P-C4'-P energy: -28.009
tors. eta vs tors. theta energy: -53.537
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: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -647.276648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.276648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.276648 (E_RNA)
where:
Base-Base interactions energy: -447.708
where: short stacking energy: -182.236
Base-Backbone interact. energy: -2.286
local terms energy: -197.283027
where:
bonds (distance) C4'-P energy: -31.767
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -42.345
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -56.592
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: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -586.695800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.695800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.695800 (E_RNA)
where:
Base-Base interactions energy: -382.165
where: short stacking energy: -161.024
Base-Backbone interact. energy: -0.405
local terms energy: -204.126420
where:
bonds (distance) C4'-P energy: -39.633
bonds (distance) P-C4' energy: -34.812
flat angles C4'-P-C4' energy: -44.916
flat angles P-C4'-P energy: -32.706
tors. eta vs tors. theta energy: -52.059
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: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -495.586529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.586529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.586529 (E_RNA)
where:
Base-Base interactions energy: -307.780
where: short stacking energy: -152.111
Base-Backbone interact. energy: -1.340
local terms energy: -186.466495
where:
bonds (distance) C4'-P energy: -33.625
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -41.914
flat angles P-C4'-P energy: -31.495
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: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -546.231880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.231880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.231880 (E_RNA)
where:
Base-Base interactions energy: -368.510
where: short stacking energy: -168.685
Base-Backbone interact. energy: 2.157
local terms energy: -179.879202
where:
bonds (distance) C4'-P energy: -38.415
bonds (distance) P-C4' energy: -34.262
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: -47.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -341.488520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.488520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.488520 (E_RNA)
where:
Base-Base interactions energy: -207.826
where: short stacking energy: -91.733
Base-Backbone interact. energy: 0.818
local terms energy: -134.480867
where:
bonds (distance) C4'-P energy: -35.540
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -277.552105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.552105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.552105 (E_RNA)
where:
Base-Base interactions energy: -140.875
where: short stacking energy: -72.375
Base-Backbone interact. energy: -1.016
local terms energy: -135.661556
where:
bonds (distance) C4'-P energy: -37.014
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -31.322
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -237.155596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.155596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.155596 (E_RNA)
where:
Base-Base interactions energy: -115.347
where: short stacking energy: -73.137
Base-Backbone interact. energy: 0.207
local terms energy: -122.015410
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -179.228652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.228652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.228652 (E_RNA)
where:
Base-Base interactions energy: -68.058
where: short stacking energy: -60.528
Base-Backbone interact. energy: -0.173
local terms energy: -110.997637
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -30.158
flat angles C4'-P-C4' energy: -24.623
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: 0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -690.934546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.934546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.934546 (E_RNA)
where:
Base-Base interactions energy: -479.474
where: short stacking energy: -199.347
Base-Backbone interact. energy: -0.907
local terms energy: -210.553026
where:
bonds (distance) C4'-P energy: -37.631
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -43.245
flat angles P-C4'-P energy: -27.587
tors. eta vs tors. theta energy: -63.494
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: 283
Temperature: 0.950000
Total energy: -662.141802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.141802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.141802 (E_RNA)
where:
Base-Base interactions energy: -452.047
where: short stacking energy: -185.904
Base-Backbone interact. energy: -1.218
local terms energy: -208.876531
where:
bonds (distance) C4'-P energy: -37.840
bonds (distance) P-C4' energy: -44.482
flat angles C4'-P-C4' energy: -43.619
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: -59.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -647.228067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.228067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.228067 (E_RNA)
where:
Base-Base interactions energy: -455.323
where: short stacking energy: -183.025
Base-Backbone interact. energy: -1.303
local terms energy: -190.602511
where:
bonds (distance) C4'-P energy: -37.069
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -55.159
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: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -587.558336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.558336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.558336 (E_RNA)
where:
Base-Base interactions energy: -398.216
where: short stacking energy: -174.081
Base-Backbone interact. energy: -0.960
local terms energy: -188.382174
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -51.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -500.499539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.499539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.499539 (E_RNA)
where:
Base-Base interactions energy: -316.773
where: short stacking energy: -154.603
Base-Backbone interact. energy: -0.999
local terms energy: -182.727028
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -41.829
flat angles C4'-P-C4' energy: -43.948
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -41.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -542.677287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.677287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.677287 (E_RNA)
where:
Base-Base interactions energy: -361.487
where: short stacking energy: -153.613
Base-Backbone interact. energy: 0.811
local terms energy: -182.000931
where:
bonds (distance) C4'-P energy: -34.443
bonds (distance) P-C4' energy: -34.494
flat angles C4'-P-C4' energy: -39.572
flat angles P-C4'-P energy: -28.127
tors. eta vs tors. theta energy: -45.366
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: 283
Temperature: 1.200000
Total energy: -351.467573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.467573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.467573 (E_RNA)
where:
Base-Base interactions energy: -205.589
where: short stacking energy: -84.053
Base-Backbone interact. energy: -1.349
local terms energy: -144.529249
where:
bonds (distance) C4'-P energy: -36.026
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -31.118
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -16.667
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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -270.945680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.945680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.945680 (E_RNA)
where:
Base-Base interactions energy: -144.919
where: short stacking energy: -74.455
Base-Backbone interact. energy: 0.690
local terms energy: -126.716829
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -235.744337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.744337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.744337 (E_RNA)
where:
Base-Base interactions energy: -101.763
where: short stacking energy: -60.752
Base-Backbone interact. energy: 0.171
local terms energy: -134.152644
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -40.572
flat angles C4'-P-C4' energy: -35.947
flat angles P-C4'-P energy: -26.386
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -170.757125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.757125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.757125 (E_RNA)
where:
Base-Base interactions energy: -71.778
where: short stacking energy: -34.934
Base-Backbone interact. energy: -0.688
local terms energy: -98.291451
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -33.607
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: 7.431
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: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -686.914406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.914406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.914406 (E_RNA)
where:
Base-Base interactions energy: -473.808
where: short stacking energy: -204.181
Base-Backbone interact. energy: -2.453
local terms energy: -210.653900
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -40.970
flat angles P-C4'-P energy: -30.529
tors. eta vs tors. theta energy: -58.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -670.309676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.309676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.309676 (E_RNA)
where:
Base-Base interactions energy: -469.989
where: short stacking energy: -179.320
Base-Backbone interact. energy: 1.477
local terms energy: -201.798037
where:
bonds (distance) C4'-P energy: -37.430
bonds (distance) P-C4' energy: -40.966
flat angles C4'-P-C4' energy: -42.619
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -60.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -657.822672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.822672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.822672 (E_RNA)
where:
Base-Base interactions energy: -450.227
where: short stacking energy: -193.346
Base-Backbone interact. energy: -0.851
local terms energy: -206.744524
where:
bonds (distance) C4'-P energy: -37.972
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -41.699
flat angles P-C4'-P energy: -32.161
tors. eta vs tors. theta energy: -58.886
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: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -553.234043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.234043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.234043 (E_RNA)
where:
Base-Base interactions energy: -358.203
where: short stacking energy: -161.295
Base-Backbone interact. energy: -0.937
local terms energy: -194.093446
where:
bonds (distance) C4'-P energy: -39.683
bonds (distance) P-C4' energy: -40.464
flat angles C4'-P-C4' energy: -44.781
flat angles P-C4'-P energy: -21.592
tors. eta vs tors. theta energy: -47.574
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: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -514.855668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.855668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.855668 (E_RNA)
where:
Base-Base interactions energy: -333.879
where: short stacking energy: -136.518
Base-Backbone interact. energy: -0.511
local terms energy: -180.465979
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -33.733
flat angles C4'-P-C4' energy: -42.359
flat angles P-C4'-P energy: -28.665
tors. eta vs tors. theta energy: -37.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -488.547016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.547016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.547016 (E_RNA)
where:
Base-Base interactions energy: -321.334
where: short stacking energy: -143.021
Base-Backbone interact. energy: -0.835
local terms energy: -166.377507
where:
bonds (distance) C4'-P energy: -37.386
bonds (distance) P-C4' energy: -32.590
flat angles C4'-P-C4' energy: -40.831
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -43.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -364.280312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.280312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.280312 (E_RNA)
where:
Base-Base interactions energy: -205.307
where: short stacking energy: -101.238
Base-Backbone interact. energy: -0.609
local terms energy: -158.363699
where:
bonds (distance) C4'-P energy: -35.293
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -42.780
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -29.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -317.685586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.685586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.685586 (E_RNA)
where:
Base-Base interactions energy: -176.564
where: short stacking energy: -81.310
Base-Backbone interact. energy: 1.916
local terms energy: -143.037817
where:
bonds (distance) C4'-P energy: -36.589
bonds (distance) P-C4' energy: -32.135
flat angles C4'-P-C4' energy: -37.521
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -194.165541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.165541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.165541 (E_RNA)
where:
Base-Base interactions energy: -82.475
where: short stacking energy: -42.793
Base-Backbone interact. energy: 0.034
local terms energy: -111.724344
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -23.351
tors. eta vs tors. theta energy: 14.987
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: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -214.000925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.000925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.000925 (E_RNA)
where:
Base-Base interactions energy: -87.153
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.075
local terms energy: -126.772728
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -40.663
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -681.961808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.961808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.961808 (E_RNA)
where:
Base-Base interactions energy: -471.273
where: short stacking energy: -192.057
Base-Backbone interact. energy: -0.746
local terms energy: -209.942446
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -42.279
flat angles C4'-P-C4' energy: -41.490
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -61.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -673.465544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.465544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.465544 (E_RNA)
where:
Base-Base interactions energy: -475.508
where: short stacking energy: -190.938
Base-Backbone interact. energy: -1.788
local terms energy: -196.168888
where:
bonds (distance) C4'-P energy: -32.427
bonds (distance) P-C4' energy: -47.684
flat angles C4'-P-C4' energy: -35.886
flat angles P-C4'-P energy: -23.569
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: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -648.263693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.263693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.263693 (E_RNA)
where:
Base-Base interactions energy: -438.426
where: short stacking energy: -178.901
Base-Backbone interact. energy: -1.659
local terms energy: -208.179149
where:
bonds (distance) C4'-P energy: -41.270
bonds (distance) P-C4' energy: -38.811
flat angles C4'-P-C4' energy: -42.686
flat angles P-C4'-P energy: -33.620
tors. eta vs tors. theta energy: -51.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -554.449112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.449112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.449112 (E_RNA)
where:
Base-Base interactions energy: -372.974
where: short stacking energy: -166.803
Base-Backbone interact. energy: 1.452
local terms energy: -182.926514
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -42.657
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -47.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -553.468199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.468199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.468199 (E_RNA)
where:
Base-Base interactions energy: -356.461
where: short stacking energy: -163.204
Base-Backbone interact. energy: -1.717
local terms energy: -195.290456
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -46.949
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -46.402
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: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -483.888965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.888965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.888965 (E_RNA)
where:
Base-Base interactions energy: -306.576
where: short stacking energy: -138.880
Base-Backbone interact. energy: -1.282
local terms energy: -176.031233
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -35.281
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -44.211
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: 285
Temperature: 1.200000
Total energy: -337.659881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.659881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.659881 (E_RNA)
where:
Base-Base interactions energy: -198.250
where: short stacking energy: -92.037
Base-Backbone interact. energy: -0.940
local terms energy: -138.469715
where:
bonds (distance) C4'-P energy: -40.699
bonds (distance) P-C4' energy: -31.791
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -316.905991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.905991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.905991 (E_RNA)
where:
Base-Base interactions energy: -174.315
where: short stacking energy: -90.076
Base-Backbone interact. energy: -1.127
local terms energy: -141.464281
where:
bonds (distance) C4'-P energy: -38.439
bonds (distance) P-C4' energy: -39.470
flat angles C4'-P-C4' energy: -34.322
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -181.058213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.058213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.058213 (E_RNA)
where:
Base-Base interactions energy: -75.450
where: short stacking energy: -50.981
Base-Backbone interact. energy: -0.936
local terms energy: -104.672469
where:
bonds (distance) C4'-P energy: -28.234
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -205.708426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.708426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.708426 (E_RNA)
where:
Base-Base interactions energy: -70.701
where: short stacking energy: -41.669
Base-Backbone interact. energy: -0.388
local terms energy: -134.618948
where:
bonds (distance) C4'-P energy: -33.140
bonds (distance) P-C4' energy: -41.340
flat angles C4'-P-C4' energy: -37.845
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: 0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -695.319287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.319287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.319287 (E_RNA)
where:
Base-Base interactions energy: -473.463
where: short stacking energy: -196.763
Base-Backbone interact. energy: 0.337
local terms energy: -222.192789
where:
bonds (distance) C4'-P energy: -42.132
bonds (distance) P-C4' energy: -41.972
flat angles C4'-P-C4' energy: -48.115
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -61.403
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: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -674.814833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.814833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.814833 (E_RNA)
where:
Base-Base interactions energy: -475.169
where: short stacking energy: -179.555
Base-Backbone interact. energy: -0.625
local terms energy: -199.021046
where:
bonds (distance) C4'-P energy: -37.918
bonds (distance) P-C4' energy: -40.169
flat angles C4'-P-C4' energy: -45.149
flat angles P-C4'-P energy: -23.134
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: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -647.266096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.266096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.266096 (E_RNA)
where:
Base-Base interactions energy: -458.568
where: short stacking energy: -187.987
Base-Backbone interact. energy: -0.752
local terms energy: -187.945754
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -39.097
flat angles C4'-P-C4' energy: -42.887
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -52.739
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: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -576.073107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.073107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.073107 (E_RNA)
where:
Base-Base interactions energy: -378.978
where: short stacking energy: -173.469
Base-Backbone interact. energy: -0.283
local terms energy: -196.812494
where:
bonds (distance) C4'-P energy: -35.830
bonds (distance) P-C4' energy: -38.612
flat angles C4'-P-C4' energy: -44.311
flat angles P-C4'-P energy: -27.616
tors. eta vs tors. theta energy: -50.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -539.925127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.925127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.925127 (E_RNA)
where:
Base-Base interactions energy: -350.050
where: short stacking energy: -171.630
Base-Backbone interact. energy: -0.382
local terms energy: -189.492320
where:
bonds (distance) C4'-P energy: -35.723
bonds (distance) P-C4' energy: -38.749
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -32.298
tors. eta vs tors. theta energy: -48.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -495.710636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.710636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.710636 (E_RNA)
where:
Base-Base interactions energy: -305.618
where: short stacking energy: -139.751
Base-Backbone interact. energy: -1.104
local terms energy: -188.988138
where:
bonds (distance) C4'-P energy: -35.795
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -39.449
flat angles P-C4'-P energy: -25.068
tors. eta vs tors. theta energy: -42.517
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: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -295.615810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.615810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.615810 (E_RNA)
where:
Base-Base interactions energy: -175.177
where: short stacking energy: -72.532
Base-Backbone interact. energy: 0.412
local terms energy: -120.850781
where:
bonds (distance) C4'-P energy: -36.921
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -8.049
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: 286
Temperature: 1.250000
Total energy: -306.905714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.905714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.905714 (E_RNA)
where:
Base-Base interactions energy: -168.422
where: short stacking energy: -86.308
Base-Backbone interact. energy: 2.563
local terms energy: -141.047302
where:
bonds (distance) C4'-P energy: -39.593
bonds (distance) P-C4' energy: -34.079
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -178.980414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.980414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.980414 (E_RNA)
where:
Base-Base interactions energy: -64.356
where: short stacking energy: -53.554
Base-Backbone interact. energy: 1.278
local terms energy: -115.901720
where:
bonds (distance) C4'-P energy: -35.742
bonds (distance) P-C4' energy: -38.902
flat angles C4'-P-C4' energy: -26.360
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: 3.808
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: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -166.125504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.125504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.125504 (E_RNA)
where:
Base-Base interactions energy: -57.360
where: short stacking energy: -51.425
Base-Backbone interact. energy: 1.806
local terms energy: -110.571578
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -3.130
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: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -687.777263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.777263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.777263 (E_RNA)
where:
Base-Base interactions energy: -479.257
where: short stacking energy: -186.592
Base-Backbone interact. energy: -1.171
local terms energy: -207.349442
where:
bonds (distance) C4'-P energy: -40.750
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -40.361
flat angles P-C4'-P energy: -23.706
tors. eta vs tors. theta energy: -62.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -660.931761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.931761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.931761 (E_RNA)
where:
Base-Base interactions energy: -443.904
where: short stacking energy: -184.980
Base-Backbone interact. energy: 1.416
local terms energy: -218.444162
where:
bonds (distance) C4'-P energy: -36.379
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -49.849
flat angles P-C4'-P energy: -33.124
tors. eta vs tors. theta energy: -61.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -646.499190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.499190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.499190 (E_RNA)
where:
Base-Base interactions energy: -458.538
where: short stacking energy: -181.168
Base-Backbone interact. energy: -1.414
local terms energy: -186.547517
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -42.797
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -25.012
tors. eta vs tors. theta energy: -59.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -573.053689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.053689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.053689 (E_RNA)
where:
Base-Base interactions energy: -372.065
where: short stacking energy: -166.813
Base-Backbone interact. energy: 0.116
local terms energy: -201.103894
where:
bonds (distance) C4'-P energy: -39.055
bonds (distance) P-C4' energy: -35.657
flat angles C4'-P-C4' energy: -41.739
flat angles P-C4'-P energy: -35.241
tors. eta vs tors. theta energy: -49.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -550.507587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.507587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.507587 (E_RNA)
where:
Base-Base interactions energy: -366.648
where: short stacking energy: -154.420
Base-Backbone interact. energy: -0.479
local terms energy: -183.380465
where:
bonds (distance) C4'-P energy: -39.653
bonds (distance) P-C4' energy: -32.058
flat angles C4'-P-C4' energy: -40.644
flat angles P-C4'-P energy: -29.992
tors. eta vs tors. theta energy: -41.034
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: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -531.462001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.462001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.462001 (E_RNA)
where:
Base-Base interactions energy: -343.384
where: short stacking energy: -160.095
Base-Backbone interact. energy: -1.574
local terms energy: -186.503544
where:
bonds (distance) C4'-P energy: -31.486
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -44.043
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: -44.697
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: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -312.362811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.362811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.362811 (E_RNA)
where:
Base-Base interactions energy: -173.973
where: short stacking energy: -93.935
Base-Backbone interact. energy: -0.508
local terms energy: -137.881990
where:
bonds (distance) C4'-P energy: -28.098
bonds (distance) P-C4' energy: -34.601
flat angles C4'-P-C4' energy: -32.622
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -322.070984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.070984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.070984 (E_RNA)
where:
Base-Base interactions energy: -193.125
where: short stacking energy: -83.951
Base-Backbone interact. energy: -0.061
local terms energy: -128.884958
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -37.352
flat angles C4'-P-C4' energy: -38.644
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -177.686825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.686825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.686825 (E_RNA)
where:
Base-Base interactions energy: -55.785
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.674
local terms energy: -121.227348
where:
bonds (distance) C4'-P energy: -35.203
bonds (distance) P-C4' energy: -38.062
flat angles C4'-P-C4' energy: -27.845
flat angles P-C4'-P energy: -19.149
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: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -167.057274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.057274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.057274 (E_RNA)
where:
Base-Base interactions energy: -63.449
where: short stacking energy: -40.531
Base-Backbone interact. energy: 1.982
local terms energy: -105.590027
where:
bonds (distance) C4'-P energy: -36.312
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -29.019
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: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -688.435070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.435070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.435070 (E_RNA)
where:
Base-Base interactions energy: -477.324
where: short stacking energy: -195.098
Base-Backbone interact. energy: -1.121
local terms energy: -209.989915
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -42.229
flat angles C4'-P-C4' energy: -43.973
flat angles P-C4'-P energy: -24.781
tors. eta vs tors. theta energy: -59.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -667.449074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.449074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.449074 (E_RNA)
where:
Base-Base interactions energy: -452.059
where: short stacking energy: -176.066
Base-Backbone interact. energy: -0.471
local terms energy: -214.918701
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -41.126
flat angles C4'-P-C4' energy: -46.901
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: -60.583
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: 288
Temperature: 1.000000
Total energy: -650.985440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.985440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.985440 (E_RNA)
where:
Base-Base interactions energy: -449.454
where: short stacking energy: -182.227
Base-Backbone interact. energy: -1.821
local terms energy: -199.710645
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -35.233
flat angles C4'-P-C4' energy: -42.960
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: -59.088
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: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -560.117899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.117899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.117899 (E_RNA)
where:
Base-Base interactions energy: -362.931
where: short stacking energy: -171.183
Base-Backbone interact. energy: 0.000
local terms energy: -197.186793
where:
bonds (distance) C4'-P energy: -32.992
bonds (distance) P-C4' energy: -39.211
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -47.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -533.926257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.926257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.926257 (E_RNA)
where:
Base-Base interactions energy: -344.139
where: short stacking energy: -155.245
Base-Backbone interact. energy: -1.083
local terms energy: -188.703995
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -40.904
flat angles P-C4'-P energy: -28.353
tors. eta vs tors. theta energy: -46.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -539.179992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.179992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.179992 (E_RNA)
where:
Base-Base interactions energy: -353.262
where: short stacking energy: -152.402
Base-Backbone interact. energy: -0.992
local terms energy: -184.925755
where:
bonds (distance) C4'-P energy: -34.876
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -41.782
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -46.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -360.445384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.445384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.445384 (E_RNA)
where:
Base-Base interactions energy: -219.015
where: short stacking energy: -105.555
Base-Backbone interact. energy: -0.704
local terms energy: -140.726733
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -35.334
flat angles C4'-P-C4' energy: -34.143
flat angles P-C4'-P energy: -24.793
tors. eta vs tors. theta energy: -18.542
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: 288
Temperature: 1.250000
Total energy: -309.550269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.550269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.550269 (E_RNA)
where:
Base-Base interactions energy: -165.852
where: short stacking energy: -82.424
Base-Backbone interact. energy: -0.601
local terms energy: -143.097014
where:
bonds (distance) C4'-P energy: -29.823
bonds (distance) P-C4' energy: -41.803
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -25.453
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -178.530063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.530063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.530063 (E_RNA)
where:
Base-Base interactions energy: -65.420
where: short stacking energy: -64.077
Base-Backbone interact. energy: -1.392
local terms energy: -111.717515
where:
bonds (distance) C4'-P energy: -37.723
bonds (distance) P-C4' energy: -37.622
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: 0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -162.043302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.043302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.043302 (E_RNA)
where:
Base-Base interactions energy: -67.406
where: short stacking energy: -55.659
Base-Backbone interact. energy: 3.588
local terms energy: -98.224454
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -693.946985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.946985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.946985 (E_RNA)
where:
Base-Base interactions energy: -488.581
where: short stacking energy: -201.035
Base-Backbone interact. energy: -0.692
local terms energy: -204.674068
where:
bonds (distance) C4'-P energy: -37.901
bonds (distance) P-C4' energy: -34.409
flat angles C4'-P-C4' energy: -44.233
flat angles P-C4'-P energy: -30.742
tors. eta vs tors. theta energy: -57.388
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: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -682.568287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.568287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.568287 (E_RNA)
where:
Base-Base interactions energy: -481.218
where: short stacking energy: -196.140
Base-Backbone interact. energy: -0.727
local terms energy: -200.623462
where:
bonds (distance) C4'-P energy: -32.375
bonds (distance) P-C4' energy: -40.862
flat angles C4'-P-C4' energy: -47.363
flat angles P-C4'-P energy: -24.907
tors. eta vs tors. theta energy: -55.115
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: 289
Temperature: 1.000000
Total energy: -638.937615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.937615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.937615 (E_RNA)
where:
Base-Base interactions energy: -448.177
where: short stacking energy: -176.526
Base-Backbone interact. energy: 4.464
local terms energy: -195.223830
where:
bonds (distance) C4'-P energy: -38.066
bonds (distance) P-C4' energy: -36.278
flat angles C4'-P-C4' energy: -41.537
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -58.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -560.771022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.771022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.771022 (E_RNA)
where:
Base-Base interactions energy: -374.617
where: short stacking energy: -180.901
Base-Backbone interact. energy: -1.863
local terms energy: -184.290192
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -37.423
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -53.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -534.519094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.519094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.519094 (E_RNA)
where:
Base-Base interactions energy: -336.086
where: short stacking energy: -166.211
Base-Backbone interact. energy: -0.174
local terms energy: -198.259016
where:
bonds (distance) C4'-P energy: -33.563
bonds (distance) P-C4' energy: -42.618
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -29.745
tors. eta vs tors. theta energy: -53.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -533.303612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.303612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.303612 (E_RNA)
where:
Base-Base interactions energy: -343.455
where: short stacking energy: -149.244
Base-Backbone interact. energy: -0.596
local terms energy: -189.252355
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -32.682
flat angles C4'-P-C4' energy: -47.073
flat angles P-C4'-P energy: -32.401
tors. eta vs tors. theta energy: -42.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -371.697243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.697243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.697243 (E_RNA)
where:
Base-Base interactions energy: -220.584
where: short stacking energy: -93.924
Base-Backbone interact. energy: 0.567
local terms energy: -151.679401
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -35.893
flat angles C4'-P-C4' energy: -33.884
flat angles P-C4'-P energy: -31.080
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -307.765668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.765668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.765668 (E_RNA)
where:
Base-Base interactions energy: -177.739
where: short stacking energy: -90.582
Base-Backbone interact. energy: -0.059
local terms energy: -129.968189
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -42.495
flat angles C4'-P-C4' energy: -34.418
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -194.167404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.167404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.167404 (E_RNA)
where:
Base-Base interactions energy: -78.166
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.653
local terms energy: -115.348168
where:
bonds (distance) C4'-P energy: -30.970
bonds (distance) P-C4' energy: -34.620
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -165.684282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.684282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.684282 (E_RNA)
where:
Base-Base interactions energy: -41.142
where: short stacking energy: -34.081
Base-Backbone interact. energy: 0.175
local terms energy: -124.717475
where:
bonds (distance) C4'-P energy: -31.390
bonds (distance) P-C4' energy: -37.754
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: 1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -684.962574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.962574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.962574 (E_RNA)
where:
Base-Base interactions energy: -478.162
where: short stacking energy: -195.189
Base-Backbone interact. energy: -1.382
local terms energy: -205.418719
where:
bonds (distance) C4'-P energy: -36.434
bonds (distance) P-C4' energy: -40.272
flat angles C4'-P-C4' energy: -47.515
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -55.306
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: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -675.915231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.915231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.915231 (E_RNA)
where:
Base-Base interactions energy: -463.521
where: short stacking energy: -191.558
Base-Backbone interact. energy: -0.710
local terms energy: -211.684758
where:
bonds (distance) C4'-P energy: -40.373
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -44.915
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -58.691
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: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -637.845371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.845371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.845371 (E_RNA)
where:
Base-Base interactions energy: -445.775
where: short stacking energy: -167.847
Base-Backbone interact. energy: -1.586
local terms energy: -190.485048
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -38.547
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -47.809
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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -556.952824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.952824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.952824 (E_RNA)
where:
Base-Base interactions energy: -359.704
where: short stacking energy: -172.706
Base-Backbone interact. energy: -0.741
local terms energy: -196.507996
where:
bonds (distance) C4'-P energy: -37.655
bonds (distance) P-C4' energy: -40.560
flat angles C4'-P-C4' energy: -40.715
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -47.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -528.139946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.139946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.139946 (E_RNA)
where:
Base-Base interactions energy: -329.740
where: short stacking energy: -178.372
Base-Backbone interact. energy: 2.070
local terms energy: -200.469763
where:
bonds (distance) C4'-P energy: -36.586
bonds (distance) P-C4' energy: -40.758
flat angles C4'-P-C4' energy: -41.329
flat angles P-C4'-P energy: -32.150
tors. eta vs tors. theta energy: -49.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -522.936800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.936800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.936800 (E_RNA)
where:
Base-Base interactions energy: -340.461
where: short stacking energy: -142.922
Base-Backbone interact. energy: 0.745
local terms energy: -183.220529
where:
bonds (distance) C4'-P energy: -36.251
bonds (distance) P-C4' energy: -37.604
flat angles C4'-P-C4' energy: -40.327
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -40.195
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: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -368.738351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.738351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.738351 (E_RNA)
where:
Base-Base interactions energy: -210.807
where: short stacking energy: -100.219
Base-Backbone interact. energy: -0.668
local terms energy: -157.263314
where:
bonds (distance) C4'-P energy: -44.327
bonds (distance) P-C4' energy: -45.264
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -304.233519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.233519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.233519 (E_RNA)
where:
Base-Base interactions energy: -159.170
where: short stacking energy: -83.521
Base-Backbone interact. energy: 0.157
local terms energy: -145.220524
where:
bonds (distance) C4'-P energy: -37.799
bonds (distance) P-C4' energy: -39.500
flat angles C4'-P-C4' energy: -34.626
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -203.654445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.654445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.654445 (E_RNA)
where:
Base-Base interactions energy: -84.713
where: short stacking energy: -76.091
Base-Backbone interact. energy: -0.485
local terms energy: -118.457232
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -39.184
flat angles C4'-P-C4' energy: -36.520
flat angles P-C4'-P energy: -19.421
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: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -179.607851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.607851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.607851 (E_RNA)
where:
Base-Base interactions energy: -50.433
where: short stacking energy: -44.208
Base-Backbone interact. energy: -0.617
local terms energy: -128.558273
where:
bonds (distance) C4'-P energy: -39.724
bonds (distance) P-C4' energy: -28.841
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -18.571
tors. eta vs tors. theta energy: -5.688
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: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -685.030111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.030111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.030111 (E_RNA)
where:
Base-Base interactions energy: -481.023
where: short stacking energy: -192.410
Base-Backbone interact. energy: -0.342
local terms energy: -203.664792
where:
bonds (distance) C4'-P energy: -43.246
bonds (distance) P-C4' energy: -43.018
flat angles C4'-P-C4' energy: -43.737
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -53.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -674.435189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.435189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.435189 (E_RNA)
where:
Base-Base interactions energy: -464.514
where: short stacking energy: -191.199
Base-Backbone interact. energy: -0.648
local terms energy: -209.273719
where:
bonds (distance) C4'-P energy: -37.312
bonds (distance) P-C4' energy: -44.336
flat angles C4'-P-C4' energy: -40.598
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -58.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -647.499458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.499458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.499458 (E_RNA)
where:
Base-Base interactions energy: -453.583
where: short stacking energy: -191.134
Base-Backbone interact. energy: -0.728
local terms energy: -193.188758
where:
bonds (distance) C4'-P energy: -32.657
bonds (distance) P-C4' energy: -32.568
flat angles C4'-P-C4' energy: -40.922
flat angles P-C4'-P energy: -29.848
tors. eta vs tors. theta energy: -57.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -539.395444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.395444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.395444 (E_RNA)
where:
Base-Base interactions energy: -336.463
where: short stacking energy: -171.544
Base-Backbone interact. energy: -0.411
local terms energy: -202.521449
where:
bonds (distance) C4'-P energy: -42.631
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -28.796
tors. eta vs tors. theta energy: -52.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -546.454323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.454323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.454323 (E_RNA)
where:
Base-Base interactions energy: -348.344
where: short stacking energy: -155.732
Base-Backbone interact. energy: -0.054
local terms energy: -198.056275
where:
bonds (distance) C4'-P energy: -42.787
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -34.948
flat angles P-C4'-P energy: -30.454
tors. eta vs tors. theta energy: -50.673
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: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -512.713696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.713696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.713696 (E_RNA)
where:
Base-Base interactions energy: -343.589
where: short stacking energy: -157.518
Base-Backbone interact. energy: -0.864
local terms energy: -168.261240
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -39.907
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -42.130
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: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -383.885021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.885021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.885021 (E_RNA)
where:
Base-Base interactions energy: -227.590
where: short stacking energy: -106.458
Base-Backbone interact. energy: -0.720
local terms energy: -155.574707
where:
bonds (distance) C4'-P energy: -33.390
bonds (distance) P-C4' energy: -33.539
flat angles C4'-P-C4' energy: -39.676
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -28.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -337.360656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.360656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.360656 (E_RNA)
where:
Base-Base interactions energy: -190.777
where: short stacking energy: -100.920
Base-Backbone interact. energy: -0.977
local terms energy: -145.606673
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -34.439
flat angles C4'-P-C4' energy: -32.784
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -217.989744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.989744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.989744 (E_RNA)
where:
Base-Base interactions energy: -83.141
where: short stacking energy: -62.963
Base-Backbone interact. energy: -0.377
local terms energy: -134.472364
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -37.943
flat angles C4'-P-C4' energy: -35.874
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: 0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -215.729777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.729777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.729777 (E_RNA)
where:
Base-Base interactions energy: -99.464
where: short stacking energy: -59.598
Base-Backbone interact. energy: -1.805
local terms energy: -114.460510
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -697.280242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.280242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.280242 (E_RNA)
where:
Base-Base interactions energy: -476.770
where: short stacking energy: -191.109
Base-Backbone interact. energy: -0.501
local terms energy: -220.009748
where:
bonds (distance) C4'-P energy: -41.052
bonds (distance) P-C4' energy: -46.406
flat angles C4'-P-C4' energy: -47.361
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -60.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -651.705362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.705362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.705362 (E_RNA)
where:
Base-Base interactions energy: -455.942
where: short stacking energy: -194.717
Base-Backbone interact. energy: -0.075
local terms energy: -195.688288
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -34.683
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -56.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -654.816430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.816430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.816430 (E_RNA)
where:
Base-Base interactions energy: -448.659
where: short stacking energy: -197.090
Base-Backbone interact. energy: -1.212
local terms energy: -204.945428
where:
bonds (distance) C4'-P energy: -38.331
bonds (distance) P-C4' energy: -35.594
flat angles C4'-P-C4' energy: -46.198
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -55.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -557.609832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.609832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.609832 (E_RNA)
where:
Base-Base interactions energy: -357.384
where: short stacking energy: -182.482
Base-Backbone interact. energy: 1.827
local terms energy: -202.052135
where:
bonds (distance) C4'-P energy: -37.217
bonds (distance) P-C4' energy: -41.933
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: -52.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -550.523945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.523945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.523945 (E_RNA)
where:
Base-Base interactions energy: -358.555
where: short stacking energy: -158.466
Base-Backbone interact. energy: -0.989
local terms energy: -190.979957
where:
bonds (distance) C4'-P energy: -39.224
bonds (distance) P-C4' energy: -36.716
flat angles C4'-P-C4' energy: -36.787
flat angles P-C4'-P energy: -28.704
tors. eta vs tors. theta energy: -49.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -530.893974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.893974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.893974 (E_RNA)
where:
Base-Base interactions energy: -345.772
where: short stacking energy: -153.841
Base-Backbone interact. energy: -0.718
local terms energy: -184.404312
where:
bonds (distance) C4'-P energy: -39.354
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -47.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -315.747323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.747323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.747323 (E_RNA)
where:
Base-Base interactions energy: -176.765
where: short stacking energy: -96.946
Base-Backbone interact. energy: -0.160
local terms energy: -138.822390
where:
bonds (distance) C4'-P energy: -33.599
bonds (distance) P-C4' energy: -35.024
flat angles C4'-P-C4' energy: -33.845
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -306.267519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.267519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.267519 (E_RNA)
where:
Base-Base interactions energy: -181.706
where: short stacking energy: -91.388
Base-Backbone interact. energy: -0.606
local terms energy: -123.955517
where:
bonds (distance) C4'-P energy: -29.563
bonds (distance) P-C4' energy: -36.016
flat angles C4'-P-C4' energy: -36.174
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -227.089187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.089187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.089187 (E_RNA)
where:
Base-Base interactions energy: -107.377
where: short stacking energy: -61.004
Base-Backbone interact. energy: -1.204
local terms energy: -118.507617
where:
bonds (distance) C4'-P energy: -26.680
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -1.801
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: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -183.003545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.003545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.003545 (E_RNA)
where:
Base-Base interactions energy: -59.642
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.283
local terms energy: -123.077888
where:
bonds (distance) C4'-P energy: -30.457
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -33.966
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -684.371640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.371640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.371640 (E_RNA)
where:
Base-Base interactions energy: -480.439
where: short stacking energy: -188.289
Base-Backbone interact. energy: 0.147
local terms energy: -204.079871
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -31.596
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -57.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -666.954141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.954141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.954141 (E_RNA)
where:
Base-Base interactions energy: -458.670
where: short stacking energy: -189.816
Base-Backbone interact. energy: -0.899
local terms energy: -207.385615
where:
bonds (distance) C4'-P energy: -32.073
bonds (distance) P-C4' energy: -39.649
flat angles C4'-P-C4' energy: -45.728
flat angles P-C4'-P energy: -31.830
tors. eta vs tors. theta energy: -58.106
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: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -664.627231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.627231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.627231 (E_RNA)
where:
Base-Base interactions energy: -473.852
where: short stacking energy: -187.999
Base-Backbone interact. energy: -1.818
local terms energy: -188.957741
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -37.972
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -56.199
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: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -565.438213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.438213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.438213 (E_RNA)
where:
Base-Base interactions energy: -378.734
where: short stacking energy: -170.588
Base-Backbone interact. energy: 1.227
local terms energy: -187.931318
where:
bonds (distance) C4'-P energy: -40.026
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -39.912
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: -45.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -530.279535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.279535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.279535 (E_RNA)
where:
Base-Base interactions energy: -350.041
where: short stacking energy: -166.617
Base-Backbone interact. energy: 1.030
local terms energy: -181.267811
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -36.891
flat angles C4'-P-C4' energy: -40.766
flat angles P-C4'-P energy: -27.558
tors. eta vs tors. theta energy: -53.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -535.706419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.706419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.706419 (E_RNA)
where:
Base-Base interactions energy: -362.978
where: short stacking energy: -163.565
Base-Backbone interact. energy: 2.817
local terms energy: -175.546227
where:
bonds (distance) C4'-P energy: -30.460
bonds (distance) P-C4' energy: -35.887
flat angles C4'-P-C4' energy: -40.531
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -44.786
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: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -318.718369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.718369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.718369 (E_RNA)
where:
Base-Base interactions energy: -168.927
where: short stacking energy: -101.143
Base-Backbone interact. energy: -1.307
local terms energy: -148.484694
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -39.133
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -330.300250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.300250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.300250 (E_RNA)
where:
Base-Base interactions energy: -195.986
where: short stacking energy: -101.144
Base-Backbone interact. energy: 0.442
local terms energy: -134.756635
where:
bonds (distance) C4'-P energy: -38.087
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -38.885
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -231.017581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.017581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.017581 (E_RNA)
where:
Base-Base interactions energy: -117.403
where: short stacking energy: -85.817
Base-Backbone interact. energy: -0.143
local terms energy: -113.471071
where:
bonds (distance) C4'-P energy: -36.635
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -19.829
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: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -175.544306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.544306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.544306 (E_RNA)
where:
Base-Base interactions energy: -52.943
where: short stacking energy: -51.686
Base-Backbone interact. energy: 0.082
local terms energy: -122.682837
where:
bonds (distance) C4'-P energy: -35.584
bonds (distance) P-C4' energy: -35.369
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: 5.494
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: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -688.246709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.246709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.246709 (E_RNA)
where:
Base-Base interactions energy: -475.097
where: short stacking energy: -196.907
Base-Backbone interact. energy: -0.611
local terms energy: -212.539083
where:
bonds (distance) C4'-P energy: -39.177
bonds (distance) P-C4' energy: -41.377
flat angles C4'-P-C4' energy: -42.877
flat angles P-C4'-P energy: -28.509
tors. eta vs tors. theta energy: -60.600
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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -686.680047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.680047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.680047 (E_RNA)
where:
Base-Base interactions energy: -465.396
where: short stacking energy: -198.860
Base-Backbone interact. energy: -1.587
local terms energy: -219.696372
where:
bonds (distance) C4'-P energy: -45.121
bonds (distance) P-C4' energy: -37.915
flat angles C4'-P-C4' energy: -47.915
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -58.638
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: 294
Temperature: 1.000000
Total energy: -651.046328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.046328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.046328 (E_RNA)
where:
Base-Base interactions energy: -446.172
where: short stacking energy: -173.767
Base-Backbone interact. energy: -0.440
local terms energy: -204.433889
where:
bonds (distance) C4'-P energy: -40.224
bonds (distance) P-C4' energy: -40.406
flat angles C4'-P-C4' energy: -42.356
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: -52.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -584.932835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.932835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.932835 (E_RNA)
where:
Base-Base interactions energy: -381.150
where: short stacking energy: -184.832
Base-Backbone interact. energy: -0.275
local terms energy: -203.507906
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -45.729
flat angles C4'-P-C4' energy: -47.678
flat angles P-C4'-P energy: -28.967
tors. eta vs tors. theta energy: -52.384
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: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -549.277101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.277101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.277101 (E_RNA)
where:
Base-Base interactions energy: -348.424
where: short stacking energy: -158.289
Base-Backbone interact. energy: -0.896
local terms energy: -199.957593
where:
bonds (distance) C4'-P energy: -41.612
bonds (distance) P-C4' energy: -37.162
flat angles C4'-P-C4' energy: -41.081
flat angles P-C4'-P energy: -31.076
tors. eta vs tors. theta energy: -49.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -530.450377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.450377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.450377 (E_RNA)
where:
Base-Base interactions energy: -357.281
where: short stacking energy: -156.493
Base-Backbone interact. energy: -0.607
local terms energy: -172.562607
where:
bonds (distance) C4'-P energy: -38.209
bonds (distance) P-C4' energy: -39.068
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: -40.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -340.387004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.387004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.387004 (E_RNA)
where:
Base-Base interactions energy: -204.755
where: short stacking energy: -95.417
Base-Backbone interact. energy: -0.231
local terms energy: -135.401746
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -37.232
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -18.248
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: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -287.061524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.061524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.061524 (E_RNA)
where:
Base-Base interactions energy: -158.811
where: short stacking energy: -85.911
Base-Backbone interact. energy: -0.199
local terms energy: -128.050597
where:
bonds (distance) C4'-P energy: -38.505
bonds (distance) P-C4' energy: -35.319
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -14.810
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: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -175.922353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.922353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.922353 (E_RNA)
where:
Base-Base interactions energy: -59.706
where: short stacking energy: -57.018
Base-Backbone interact. energy: 3.109
local terms energy: -119.325541
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -166.539537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.539537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.539537 (E_RNA)
where:
Base-Base interactions energy: -49.267
where: short stacking energy: -46.308
Base-Backbone interact. energy: -0.976
local terms energy: -116.296562
where:
bonds (distance) C4'-P energy: -32.595
bonds (distance) P-C4' energy: -34.420
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: 4.081
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: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -692.149909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.149909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.149909 (E_RNA)
where:
Base-Base interactions energy: -472.662
where: short stacking energy: -194.796
Base-Backbone interact. energy: 0.124
local terms energy: -219.611446
where:
bonds (distance) C4'-P energy: -44.061
bonds (distance) P-C4' energy: -44.212
flat angles C4'-P-C4' energy: -46.213
flat angles P-C4'-P energy: -24.419
tors. eta vs tors. theta energy: -60.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -670.874215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.874215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.874215 (E_RNA)
where:
Base-Base interactions energy: -474.257
where: short stacking energy: -184.813
Base-Backbone interact. energy: 1.441
local terms energy: -198.058040
where:
bonds (distance) C4'-P energy: -38.556
bonds (distance) P-C4' energy: -43.695
flat angles C4'-P-C4' energy: -38.785
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -52.499
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: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -647.185255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.185255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.185255 (E_RNA)
where:
Base-Base interactions energy: -454.646
where: short stacking energy: -179.516
Base-Backbone interact. energy: 1.424
local terms energy: -193.962508
where:
bonds (distance) C4'-P energy: -37.073
bonds (distance) P-C4' energy: -42.500
flat angles C4'-P-C4' energy: -42.018
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -49.191
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: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -570.533848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.533848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.533848 (E_RNA)
where:
Base-Base interactions energy: -374.516
where: short stacking energy: -160.678
Base-Backbone interact. energy: -1.059
local terms energy: -194.958065
where:
bonds (distance) C4'-P energy: -39.450
bonds (distance) P-C4' energy: -40.769
flat angles C4'-P-C4' energy: -39.844
flat angles P-C4'-P energy: -28.802
tors. eta vs tors. theta energy: -46.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -558.151784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.151784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.151784 (E_RNA)
where:
Base-Base interactions energy: -364.414
where: short stacking energy: -178.963
Base-Backbone interact. energy: -1.349
local terms energy: -192.388527
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -35.068
flat angles C4'-P-C4' energy: -39.553
flat angles P-C4'-P energy: -30.130
tors. eta vs tors. theta energy: -54.901
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: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -512.431551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.431551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.431551 (E_RNA)
where:
Base-Base interactions energy: -328.989
where: short stacking energy: -146.022
Base-Backbone interact. energy: -0.449
local terms energy: -182.993754
where:
bonds (distance) C4'-P energy: -35.447
bonds (distance) P-C4' energy: -41.002
flat angles C4'-P-C4' energy: -44.110
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -40.046
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: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -364.988404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.988404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.988404 (E_RNA)
where:
Base-Base interactions energy: -218.283
where: short stacking energy: -101.759
Base-Backbone interact. energy: 0.186
local terms energy: -146.891837
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -36.552
flat angles C4'-P-C4' energy: -37.315
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -303.843423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.843423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.843423 (E_RNA)
where:
Base-Base interactions energy: -173.255
where: short stacking energy: -98.581
Base-Backbone interact. energy: -1.046
local terms energy: -129.541877
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -35.730
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -181.465447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.465447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.465447 (E_RNA)
where:
Base-Base interactions energy: -60.937
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.693
local terms energy: -119.835802
where:
bonds (distance) C4'-P energy: -35.313
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -34.792
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: 3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -162.057439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.057439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.057439 (E_RNA)
where:
Base-Base interactions energy: -54.274
where: short stacking energy: -44.106
Base-Backbone interact. energy: 0.219
local terms energy: -108.002202
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -34.396
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: 10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -663.568665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.568665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.568665 (E_RNA)
where:
Base-Base interactions energy: -470.962
where: short stacking energy: -185.573
Base-Backbone interact. energy: -0.776
local terms energy: -191.831131
where:
bonds (distance) C4'-P energy: -36.614
bonds (distance) P-C4' energy: -43.360
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: -53.403
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: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -684.855662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.855662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.855662 (E_RNA)
where:
Base-Base interactions energy: -472.202
where: short stacking energy: -193.013
Base-Backbone interact. energy: -0.694
local terms energy: -211.959148
where:
bonds (distance) C4'-P energy: -41.722
bonds (distance) P-C4' energy: -37.870
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -62.034
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: 296
Temperature: 1.000000
Total energy: -651.054589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.054589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.054589 (E_RNA)
where:
Base-Base interactions energy: -458.785
where: short stacking energy: -183.828
Base-Backbone interact. energy: -1.643
local terms energy: -190.626571
where:
bonds (distance) C4'-P energy: -31.634
bonds (distance) P-C4' energy: -41.216
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -56.592
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: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -577.849487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.849487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.849487 (E_RNA)
where:
Base-Base interactions energy: -370.024
where: short stacking energy: -174.894
Base-Backbone interact. energy: -0.257
local terms energy: -207.568737
where:
bonds (distance) C4'-P energy: -36.040
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -47.053
flat angles P-C4'-P energy: -27.108
tors. eta vs tors. theta energy: -53.644
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: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -546.403154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.403154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.403154 (E_RNA)
where:
Base-Base interactions energy: -349.155
where: short stacking energy: -174.487
Base-Backbone interact. energy: -0.094
local terms energy: -197.154675
where:
bonds (distance) C4'-P energy: -46.219
bonds (distance) P-C4' energy: -29.572
flat angles C4'-P-C4' energy: -40.506
flat angles P-C4'-P energy: -23.700
tors. eta vs tors. theta energy: -57.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -533.884087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.884087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.884087 (E_RNA)
where:
Base-Base interactions energy: -366.307
where: short stacking energy: -157.435
Base-Backbone interact. energy: -1.087
local terms energy: -166.489282
where:
bonds (distance) C4'-P energy: -29.664
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -38.360
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -43.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -312.427269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.427269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.427269 (E_RNA)
where:
Base-Base interactions energy: -175.918
where: short stacking energy: -83.270
Base-Backbone interact. energy: -0.061
local terms energy: -136.447340
where:
bonds (distance) C4'-P energy: -40.467
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -25.216
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -336.247682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.247682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.247682 (E_RNA)
where:
Base-Base interactions energy: -184.758
where: short stacking energy: -92.885
Base-Backbone interact. energy: -0.476
local terms energy: -151.013509
where:
bonds (distance) C4'-P energy: -38.466
bonds (distance) P-C4' energy: -41.562
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -199.432957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.432957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.432957 (E_RNA)
where:
Base-Base interactions energy: -82.762
where: short stacking energy: -57.913
Base-Backbone interact. energy: -0.905
local terms energy: -115.765591
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -29.505
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -172.557264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.557264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.557264 (E_RNA)
where:
Base-Base interactions energy: -63.724
where: short stacking energy: -40.796
Base-Backbone interact. energy: -0.097
local terms energy: -108.736083
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -41.490
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -2.485
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: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -681.028389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.028389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.028389 (E_RNA)
where:
Base-Base interactions energy: -475.253
where: short stacking energy: -187.587
Base-Backbone interact. energy: -0.959
local terms energy: -204.816154
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -39.452
flat angles C4'-P-C4' energy: -47.195
flat angles P-C4'-P energy: -31.144
tors. eta vs tors. theta energy: -53.242
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: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -684.463203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.463203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.463203 (E_RNA)
where:
Base-Base interactions energy: -465.990
where: short stacking energy: -205.697
Base-Backbone interact. energy: -1.439
local terms energy: -217.034811
where:
bonds (distance) C4'-P energy: -39.642
bonds (distance) P-C4' energy: -38.351
flat angles C4'-P-C4' energy: -45.784
flat angles P-C4'-P energy: -32.932
tors. eta vs tors. theta energy: -60.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -643.892239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.892239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.892239 (E_RNA)
where:
Base-Base interactions energy: -456.693
where: short stacking energy: -175.071
Base-Backbone interact. energy: -2.041
local terms energy: -185.157940
where:
bonds (distance) C4'-P energy: -33.351
bonds (distance) P-C4' energy: -37.449
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -54.100
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: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -592.680892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.680892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.680892 (E_RNA)
where:
Base-Base interactions energy: -393.119
where: short stacking energy: -171.181
Base-Backbone interact. energy: 0.230
local terms energy: -199.792103
where:
bonds (distance) C4'-P energy: -36.584
bonds (distance) P-C4' energy: -38.278
flat angles C4'-P-C4' energy: -44.567
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -52.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -557.435058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.435058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.435058 (E_RNA)
where:
Base-Base interactions energy: -359.853
where: short stacking energy: -182.068
Base-Backbone interact. energy: -1.415
local terms energy: -196.167159
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -38.724
flat angles C4'-P-C4' energy: -42.380
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -55.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -532.128441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.128441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.128441 (E_RNA)
where:
Base-Base interactions energy: -357.209
where: short stacking energy: -151.951
Base-Backbone interact. energy: -0.865
local terms energy: -174.054230
where:
bonds (distance) C4'-P energy: -28.267
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -37.517
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -52.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -301.348505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.348505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.348505 (E_RNA)
where:
Base-Base interactions energy: -153.057
where: short stacking energy: -79.335
Base-Backbone interact. energy: 0.118
local terms energy: -148.409890
where:
bonds (distance) C4'-P energy: -42.938
bonds (distance) P-C4' energy: -41.023
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -317.827023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.827023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.827023 (E_RNA)
where:
Base-Base interactions energy: -184.669
where: short stacking energy: -80.365
Base-Backbone interact. energy: -0.763
local terms energy: -132.395128
where:
bonds (distance) C4'-P energy: -29.304
bonds (distance) P-C4' energy: -43.246
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -197.993829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.993829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.993829 (E_RNA)
where:
Base-Base interactions energy: -83.428
where: short stacking energy: -55.879
Base-Backbone interact. energy: 0.184
local terms energy: -114.749682
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -41.137
flat angles C4'-P-C4' energy: -36.282
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: 4.434
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: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -205.855886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.855886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.855886 (E_RNA)
where:
Base-Base interactions energy: -103.950
where: short stacking energy: -53.793
Base-Backbone interact. energy: 0.454
local terms energy: -102.360396
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -37.743
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -677.780185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.780185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.780185 (E_RNA)
where:
Base-Base interactions energy: -472.085
where: short stacking energy: -188.522
Base-Backbone interact. energy: -0.612
local terms energy: -205.083549
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -39.469
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -57.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -675.390115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.390115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.390115 (E_RNA)
where:
Base-Base interactions energy: -454.489
where: short stacking energy: -183.685
Base-Backbone interact. energy: -0.169
local terms energy: -220.732543
where:
bonds (distance) C4'-P energy: -40.354
bonds (distance) P-C4' energy: -43.296
flat angles C4'-P-C4' energy: -46.365
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: -55.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -662.870272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.870272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.870272 (E_RNA)
where:
Base-Base interactions energy: -459.506
where: short stacking energy: -186.556
Base-Backbone interact. energy: 0.020
local terms energy: -203.384365
where:
bonds (distance) C4'-P energy: -31.349
bonds (distance) P-C4' energy: -43.400
flat angles C4'-P-C4' energy: -46.058
flat angles P-C4'-P energy: -26.487
tors. eta vs tors. theta energy: -56.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -565.854167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.854167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.854167 (E_RNA)
where:
Base-Base interactions energy: -368.498
where: short stacking energy: -161.412
Base-Backbone interact. energy: -0.098
local terms energy: -197.258286
where:
bonds (distance) C4'-P energy: -31.933
bonds (distance) P-C4' energy: -40.925
flat angles C4'-P-C4' energy: -45.493
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -49.113
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: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -540.416752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.416752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.416752 (E_RNA)
where:
Base-Base interactions energy: -348.801
where: short stacking energy: -148.215
Base-Backbone interact. energy: -0.805
local terms energy: -190.809987
where:
bonds (distance) C4'-P energy: -39.060
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -42.411
flat angles P-C4'-P energy: -32.307
tors. eta vs tors. theta energy: -43.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -550.527226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.527226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.527226 (E_RNA)
where:
Base-Base interactions energy: -364.326
where: short stacking energy: -177.087
Base-Backbone interact. energy: -0.037
local terms energy: -186.164020
where:
bonds (distance) C4'-P energy: -34.039
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: -57.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -336.831300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.831300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.831300 (E_RNA)
where:
Base-Base interactions energy: -186.618
where: short stacking energy: -95.151
Base-Backbone interact. energy: -1.698
local terms energy: -148.515741
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -40.817
flat angles C4'-P-C4' energy: -35.299
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -25.959
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: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -294.114865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.114865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.114865 (E_RNA)
where:
Base-Base interactions energy: -185.384
where: short stacking energy: -92.357
Base-Backbone interact. energy: -1.540
local terms energy: -107.190636
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -31.643
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -181.736838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.736838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.736838 (E_RNA)
where:
Base-Base interactions energy: -60.169
where: short stacking energy: -51.455
Base-Backbone interact. energy: -0.415
local terms energy: -121.151994
where:
bonds (distance) C4'-P energy: -35.881
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -157.175985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.175985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.175985 (E_RNA)
where:
Base-Base interactions energy: -52.680
where: short stacking energy: -49.579
Base-Backbone interact. energy: -1.221
local terms energy: -103.274606
where:
bonds (distance) C4'-P energy: -29.872
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: 5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -687.875767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.875767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.875767 (E_RNA)
where:
Base-Base interactions energy: -478.602
where: short stacking energy: -197.260
Base-Backbone interact. energy: -0.070
local terms energy: -209.203237
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -41.360
flat angles C4'-P-C4' energy: -41.748
flat angles P-C4'-P energy: -34.414
tors. eta vs tors. theta energy: -59.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -664.417716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.417716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.417716 (E_RNA)
where:
Base-Base interactions energy: -455.467
where: short stacking energy: -184.993
Base-Backbone interact. energy: -0.399
local terms energy: -208.551105
where:
bonds (distance) C4'-P energy: -39.873
bonds (distance) P-C4' energy: -43.822
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -31.056
tors. eta vs tors. theta energy: -57.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -664.223577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.223577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.223577 (E_RNA)
where:
Base-Base interactions energy: -467.083
where: short stacking energy: -182.533
Base-Backbone interact. energy: -2.605
local terms energy: -194.535078
where:
bonds (distance) C4'-P energy: -38.660
bonds (distance) P-C4' energy: -36.261
flat angles C4'-P-C4' energy: -42.252
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -51.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -565.489171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.489171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.489171 (E_RNA)
where:
Base-Base interactions energy: -374.029
where: short stacking energy: -151.534
Base-Backbone interact. energy: -0.318
local terms energy: -191.142138
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -43.131
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -53.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -555.599674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.599674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.599674 (E_RNA)
where:
Base-Base interactions energy: -365.268
where: short stacking energy: -156.452
Base-Backbone interact. energy: -0.081
local terms energy: -190.250787
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -39.243
flat angles C4'-P-C4' energy: -40.705
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -43.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -498.064073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.064073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.064073 (E_RNA)
where:
Base-Base interactions energy: -310.946
where: short stacking energy: -159.797
Base-Backbone interact. energy: -1.120
local terms energy: -185.997453
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -34.452
flat angles C4'-P-C4' energy: -39.566
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -50.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -339.191383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.191383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.191383 (E_RNA)
where:
Base-Base interactions energy: -184.962
where: short stacking energy: -94.739
Base-Backbone interact. energy: -0.079
local terms energy: -154.150318
where:
bonds (distance) C4'-P energy: -43.505
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -23.520
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: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -288.352661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.352661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.352661 (E_RNA)
where:
Base-Base interactions energy: -159.344
where: short stacking energy: -96.127
Base-Backbone interact. energy: -1.917
local terms energy: -127.091617
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -25.895
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -24.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -225.763149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.763149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.763149 (E_RNA)
where:
Base-Base interactions energy: -116.121
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.516
local terms energy: -109.126252
where:
bonds (distance) C4'-P energy: -34.337
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: 3.845
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: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -170.411331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.411331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.411331 (E_RNA)
where:
Base-Base interactions energy: -52.852
where: short stacking energy: -39.161
Base-Backbone interact. energy: -0.957
local terms energy: -116.602165
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -38.293
flat angles C4'-P-C4' energy: -35.185
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: 0.805
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: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -666.582915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.582915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.582915 (E_RNA)
where:
Base-Base interactions energy: -456.255
where: short stacking energy: -184.273
Base-Backbone interact. energy: -0.928
local terms energy: -209.399927
where:
bonds (distance) C4'-P energy: -41.383
bonds (distance) P-C4' energy: -40.321
flat angles C4'-P-C4' energy: -41.471
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: -55.860
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: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -667.979202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.979202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.979202 (E_RNA)
where:
Base-Base interactions energy: -454.645
where: short stacking energy: -181.350
Base-Backbone interact. energy: -0.829
local terms energy: -212.505089
where:
bonds (distance) C4'-P energy: -43.043
bonds (distance) P-C4' energy: -45.965
flat angles C4'-P-C4' energy: -43.928
flat angles P-C4'-P energy: -26.383
tors. eta vs tors. theta energy: -53.186
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: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -650.047938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.047938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.047938 (E_RNA)
where:
Base-Base interactions energy: -445.602
where: short stacking energy: -199.828
Base-Backbone interact. energy: -0.383
local terms energy: -204.062799
where:
bonds (distance) C4'-P energy: -31.467
bonds (distance) P-C4' energy: -41.188
flat angles C4'-P-C4' energy: -47.464
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -59.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -589.219882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.219882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.219882 (E_RNA)
where:
Base-Base interactions energy: -395.742
where: short stacking energy: -172.377
Base-Backbone interact. energy: -0.312
local terms energy: -193.165943
where:
bonds (distance) C4'-P energy: -41.578
bonds (distance) P-C4' energy: -34.679
flat angles C4'-P-C4' energy: -34.602
flat angles P-C4'-P energy: -33.773
tors. eta vs tors. theta energy: -48.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -532.027441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.027441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.027441 (E_RNA)
where:
Base-Base interactions energy: -333.723
where: short stacking energy: -164.768
Base-Backbone interact. energy: -0.652
local terms energy: -197.653234
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -38.014
flat angles C4'-P-C4' energy: -43.391
flat angles P-C4'-P energy: -32.959
tors. eta vs tors. theta energy: -46.798
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: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -466.464718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.464718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.464718 (E_RNA)
where:
Base-Base interactions energy: -298.498
where: short stacking energy: -146.872
Base-Backbone interact. energy: -1.172
local terms energy: -166.794422
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -36.806
flat angles C4'-P-C4' energy: -37.637
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -30.555
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: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -307.910242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.910242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.910242 (E_RNA)
where:
Base-Base interactions energy: -162.479
where: short stacking energy: -79.092
Base-Backbone interact. energy: -0.374
local terms energy: -145.057192
where:
bonds (distance) C4'-P energy: -41.020
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -31.390
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -300.148954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.148954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.148954 (E_RNA)
where:
Base-Base interactions energy: -157.971
where: short stacking energy: -81.689
Base-Backbone interact. energy: -1.987
local terms energy: -140.190697
where:
bonds (distance) C4'-P energy: -32.016
bonds (distance) P-C4' energy: -36.965
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -182.505751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.505751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.505751 (E_RNA)
where:
Base-Base interactions energy: -67.149
where: short stacking energy: -46.624
Base-Backbone interact. energy: -0.485
local terms energy: -114.871835
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -42.107
flat angles C4'-P-C4' energy: -31.788
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -177.199550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.199550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.199550 (E_RNA)
where:
Base-Base interactions energy: -50.741
where: short stacking energy: -50.741
Base-Backbone interact. energy: -0.768
local terms energy: -125.690547
where:
bonds (distance) C4'-P energy: -36.511
bonds (distance) P-C4' energy: -41.124
flat angles C4'-P-C4' energy: -27.239
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: 1.805
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: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -659.000307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.000307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.000307 (E_RNA)
where:
Base-Base interactions energy: -466.086
where: short stacking energy: -175.361
Base-Backbone interact. energy: -1.316
local terms energy: -191.598388
where:
bonds (distance) C4'-P energy: -34.001
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -44.616
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -53.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -658.667162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.667162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.667162 (E_RNA)
where:
Base-Base interactions energy: -447.581
where: short stacking energy: -185.614
Base-Backbone interact. energy: 0.888
local terms energy: -211.974439
where:
bonds (distance) C4'-P energy: -39.160
bonds (distance) P-C4' energy: -45.530
flat angles C4'-P-C4' energy: -44.208
flat angles P-C4'-P energy: -31.107
tors. eta vs tors. theta energy: -51.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -663.577684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.577684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.577684 (E_RNA)
where:
Base-Base interactions energy: -452.168
where: short stacking energy: -182.929
Base-Backbone interact. energy: -0.112
local terms energy: -211.298628
where:
bonds (distance) C4'-P energy: -41.648
bonds (distance) P-C4' energy: -40.539
flat angles C4'-P-C4' energy: -45.861
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -53.416
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: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -576.799314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.799314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.799314 (E_RNA)
where:
Base-Base interactions energy: -400.086
where: short stacking energy: -164.131
Base-Backbone interact. energy: -1.561
local terms energy: -175.151660
where:
bonds (distance) C4'-P energy: -30.840
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -41.009
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -46.186
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: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -535.330527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.330527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.330527 (E_RNA)
where:
Base-Base interactions energy: -354.074
where: short stacking energy: -159.410
Base-Backbone interact. energy: -1.060
local terms energy: -180.197246
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -35.877
flat angles C4'-P-C4' energy: -40.538
flat angles P-C4'-P energy: -26.234
tors. eta vs tors. theta energy: -43.887
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: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -464.332707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.332707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.332707 (E_RNA)
where:
Base-Base interactions energy: -289.962
where: short stacking energy: -126.542
Base-Backbone interact. energy: -1.254
local terms energy: -173.116880
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: -28.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -323.609262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.609262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.609262 (E_RNA)
where:
Base-Base interactions energy: -176.624
where: short stacking energy: -84.809
Base-Backbone interact. energy: -0.395
local terms energy: -146.590513
where:
bonds (distance) C4'-P energy: -40.484
bonds (distance) P-C4' energy: -32.611
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: -12.515
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: 301
Temperature: 1.250000
Total energy: -314.096037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.096037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.096037 (E_RNA)
where:
Base-Base interactions energy: -169.669
where: short stacking energy: -88.995
Base-Backbone interact. energy: -0.463
local terms energy: -143.964210
where:
bonds (distance) C4'-P energy: -36.492
bonds (distance) P-C4' energy: -38.923
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -8.958
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: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -188.993283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.993283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.993283 (E_RNA)
where:
Base-Base interactions energy: -70.609
where: short stacking energy: -51.567
Base-Backbone interact. energy: -1.791
local terms energy: -116.592906
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -43.408
flat angles C4'-P-C4' energy: -26.308
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -2.556
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: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -196.066836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.066836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.066836 (E_RNA)
where:
Base-Base interactions energy: -75.969
where: short stacking energy: -71.973
Base-Backbone interact. energy: -1.851
local terms energy: -118.246562
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -8.295
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: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -676.502312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.502312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.502312 (E_RNA)
where:
Base-Base interactions energy: -467.346
where: short stacking energy: -192.446
Base-Backbone interact. energy: -0.593
local terms energy: -208.562668
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -38.614
flat angles C4'-P-C4' energy: -44.589
flat angles P-C4'-P energy: -30.494
tors. eta vs tors. theta energy: -55.734
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: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -662.605454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.605454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.605454 (E_RNA)
where:
Base-Base interactions energy: -451.459
where: short stacking energy: -182.212
Base-Backbone interact. energy: -1.017
local terms energy: -210.129553
where:
bonds (distance) C4'-P energy: -42.753
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -46.879
flat angles P-C4'-P energy: -28.608
tors. eta vs tors. theta energy: -53.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -633.965092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.965092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.965092 (E_RNA)
where:
Base-Base interactions energy: -434.185
where: short stacking energy: -181.892
Base-Backbone interact. energy: -0.384
local terms energy: -199.396590
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -43.798
flat angles C4'-P-C4' energy: -39.579
flat angles P-C4'-P energy: -33.290
tors. eta vs tors. theta energy: -47.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -563.508097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.508097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.508097 (E_RNA)
where:
Base-Base interactions energy: -381.197
where: short stacking energy: -158.568
Base-Backbone interact. energy: -0.079
local terms energy: -182.232531
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -35.455
flat angles C4'-P-C4' energy: -41.753
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: -43.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -540.323711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.323711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.323711 (E_RNA)
where:
Base-Base interactions energy: -361.299
where: short stacking energy: -161.597
Base-Backbone interact. energy: 0.114
local terms energy: -179.138958
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -33.527
flat angles C4'-P-C4' energy: -40.850
flat angles P-C4'-P energy: -28.812
tors. eta vs tors. theta energy: -45.941
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: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -455.710351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.710351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.710351 (E_RNA)
where:
Base-Base interactions energy: -291.692
where: short stacking energy: -144.232
Base-Backbone interact. energy: -1.990
local terms energy: -162.028368
where:
bonds (distance) C4'-P energy: -36.054
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -41.010
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -39.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -348.082783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.082783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.082783 (E_RNA)
where:
Base-Base interactions energy: -200.391
where: short stacking energy: -99.928
Base-Backbone interact. energy: 0.503
local terms energy: -148.194347
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -35.235
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -286.521634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.521634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.521634 (E_RNA)
where:
Base-Base interactions energy: -148.007
where: short stacking energy: -74.840
Base-Backbone interact. energy: 1.770
local terms energy: -140.284202
where:
bonds (distance) C4'-P energy: -34.952
bonds (distance) P-C4' energy: -42.064
flat angles C4'-P-C4' energy: -34.428
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -183.887568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.887568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.887568 (E_RNA)
where:
Base-Base interactions energy: -45.693
where: short stacking energy: -46.493
Base-Backbone interact. energy: -1.524
local terms energy: -136.670940
where:
bonds (distance) C4'-P energy: -40.469
bonds (distance) P-C4' energy: -41.473
flat angles C4'-P-C4' energy: -41.770
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -185.641727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.641727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.641727 (E_RNA)
where:
Base-Base interactions energy: -71.555
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.174
local terms energy: -113.912807
where:
bonds (distance) C4'-P energy: -41.421
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -7.763
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: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -665.904207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.904207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.904207 (E_RNA)
where:
Base-Base interactions energy: -445.246
where: short stacking energy: -194.659
Base-Backbone interact. energy: -0.675
local terms energy: -219.982391
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -43.491
flat angles C4'-P-C4' energy: -47.643
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: -62.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -658.403630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.403630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.403630 (E_RNA)
where:
Base-Base interactions energy: -446.710
where: short stacking energy: -200.738
Base-Backbone interact. energy: -1.168
local terms energy: -210.526164
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -38.245
flat angles C4'-P-C4' energy: -47.838
flat angles P-C4'-P energy: -26.931
tors. eta vs tors. theta energy: -60.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -632.938385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.938385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.938385 (E_RNA)
where:
Base-Base interactions energy: -437.379
where: short stacking energy: -178.190
Base-Backbone interact. energy: -0.456
local terms energy: -195.103331
where:
bonds (distance) C4'-P energy: -39.161
bonds (distance) P-C4' energy: -30.226
flat angles C4'-P-C4' energy: -46.866
flat angles P-C4'-P energy: -28.336
tors. eta vs tors. theta energy: -50.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -546.055621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.055621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.055621 (E_RNA)
where:
Base-Base interactions energy: -358.839
where: short stacking energy: -162.035
Base-Backbone interact. energy: -0.339
local terms energy: -186.878384
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -40.207
flat angles P-C4'-P energy: -35.244
tors. eta vs tors. theta energy: -48.001
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: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -540.768740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.768740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.768740 (E_RNA)
where:
Base-Base interactions energy: -350.080
where: short stacking energy: -147.678
Base-Backbone interact. energy: -0.885
local terms energy: -189.803616
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -44.848
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -38.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -466.702335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.702335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.702335 (E_RNA)
where:
Base-Base interactions energy: -297.541
where: short stacking energy: -138.038
Base-Backbone interact. energy: 0.686
local terms energy: -169.848258
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -38.596
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -42.203
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: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -364.617128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.617128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.617128 (E_RNA)
where:
Base-Base interactions energy: -213.435
where: short stacking energy: -105.586
Base-Backbone interact. energy: -1.290
local terms energy: -149.892407
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -34.901
flat angles C4'-P-C4' energy: -29.740
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -30.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -292.555876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.555876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.555876 (E_RNA)
where:
Base-Base interactions energy: -161.812
where: short stacking energy: -90.387
Base-Backbone interact. energy: -1.256
local terms energy: -129.487748
where:
bonds (distance) C4'-P energy: -38.566
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -36.398
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -198.859882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.859882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.859882 (E_RNA)
where:
Base-Base interactions energy: -83.483
where: short stacking energy: -47.242
Base-Backbone interact. energy: 0.550
local terms energy: -115.926837
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -39.032
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: 0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -176.651836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.651836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.651836 (E_RNA)
where:
Base-Base interactions energy: -50.234
where: short stacking energy: -42.826
Base-Backbone interact. energy: 1.776
local terms energy: -128.193089
where:
bonds (distance) C4'-P energy: -38.721
bonds (distance) P-C4' energy: -42.929
flat angles C4'-P-C4' energy: -37.934
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: 7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -688.198628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.198628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.198628 (E_RNA)
where:
Base-Base interactions energy: -472.908
where: short stacking energy: -185.816
Base-Backbone interact. energy: -0.921
local terms energy: -214.369276
where:
bonds (distance) C4'-P energy: -42.544
bonds (distance) P-C4' energy: -38.915
flat angles C4'-P-C4' energy: -45.329
flat angles P-C4'-P energy: -31.311
tors. eta vs tors. theta energy: -56.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -653.799097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.799097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.799097 (E_RNA)
where:
Base-Base interactions energy: -458.884
where: short stacking energy: -190.254
Base-Backbone interact. energy: 3.395
local terms energy: -198.309817
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -41.921
flat angles P-C4'-P energy: -26.650
tors. eta vs tors. theta energy: -59.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -644.543219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.543219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.543219 (E_RNA)
where:
Base-Base interactions energy: -443.816
where: short stacking energy: -184.664
Base-Backbone interact. energy: -0.267
local terms energy: -200.460136
where:
bonds (distance) C4'-P energy: -39.742
bonds (distance) P-C4' energy: -39.652
flat angles C4'-P-C4' energy: -42.771
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -49.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -560.987093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.987093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.987093 (E_RNA)
where:
Base-Base interactions energy: -374.868
where: short stacking energy: -167.979
Base-Backbone interact. energy: -1.317
local terms energy: -184.802716
where:
bonds (distance) C4'-P energy: -40.586
bonds (distance) P-C4' energy: -40.461
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -49.434
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: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -553.739540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.739540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.739540 (E_RNA)
where:
Base-Base interactions energy: -364.787
where: short stacking energy: -153.082
Base-Backbone interact. energy: -0.217
local terms energy: -188.734714
where:
bonds (distance) C4'-P energy: -39.209
bonds (distance) P-C4' energy: -36.972
flat angles C4'-P-C4' energy: -43.850
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -42.049
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: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -477.621048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.621048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.621048 (E_RNA)
where:
Base-Base interactions energy: -320.378
where: short stacking energy: -150.905
Base-Backbone interact. energy: -0.647
local terms energy: -156.596422
where:
bonds (distance) C4'-P energy: -33.696
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -39.581
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -39.373
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: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -360.854588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.854588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.854588 (E_RNA)
where:
Base-Base interactions energy: -200.280
where: short stacking energy: -96.894
Base-Backbone interact. energy: -0.389
local terms energy: -160.186173
where:
bonds (distance) C4'-P energy: -34.309
bonds (distance) P-C4' energy: -41.588
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -29.375
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -325.130355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.130355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.130355 (E_RNA)
where:
Base-Base interactions energy: -186.713
where: short stacking energy: -95.027
Base-Backbone interact. energy: -0.943
local terms energy: -137.473972
where:
bonds (distance) C4'-P energy: -31.512
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -285.223790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.223790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.223790 (E_RNA)
where:
Base-Base interactions energy: -164.078
where: short stacking energy: -79.475
Base-Backbone interact. energy: -1.182
local terms energy: -119.964188
where:
bonds (distance) C4'-P energy: -43.309
bonds (distance) P-C4' energy: -33.486
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -177.440665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.440665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.440665 (E_RNA)
where:
Base-Base interactions energy: -78.188
where: short stacking energy: -53.627
Base-Backbone interact. energy: 0.113
local terms energy: -99.364906
where:
bonds (distance) C4'-P energy: -31.345
bonds (distance) P-C4' energy: -36.404
flat angles C4'-P-C4' energy: -35.603
flat angles P-C4'-P energy: 2.956
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: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -692.701812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.701812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.701812 (E_RNA)
where:
Base-Base interactions energy: -473.056
where: short stacking energy: -190.641
Base-Backbone interact. energy: -0.588
local terms energy: -219.058168
where:
bonds (distance) C4'-P energy: -41.434
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -48.785
flat angles P-C4'-P energy: -32.066
tors. eta vs tors. theta energy: -60.595
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: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -664.766770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.766770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.766770 (E_RNA)
where:
Base-Base interactions energy: -459.108
where: short stacking energy: -192.624
Base-Backbone interact. energy: -2.337
local terms energy: -203.321567
where:
bonds (distance) C4'-P energy: -41.934
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -61.788
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: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -624.691852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.691852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.691852 (E_RNA)
where:
Base-Base interactions energy: -431.069
where: short stacking energy: -164.170
Base-Backbone interact. energy: 0.447
local terms energy: -194.069138
where:
bonds (distance) C4'-P energy: -41.111
bonds (distance) P-C4' energy: -43.767
flat angles C4'-P-C4' energy: -36.428
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -44.136
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: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -573.638338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.638338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.638338 (E_RNA)
where:
Base-Base interactions energy: -380.221
where: short stacking energy: -162.982
Base-Backbone interact. energy: -0.318
local terms energy: -193.099792
where:
bonds (distance) C4'-P energy: -43.120
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -38.824
flat angles P-C4'-P energy: -31.950
tors. eta vs tors. theta energy: -45.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -540.972720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.972720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.972720 (E_RNA)
where:
Base-Base interactions energy: -351.017
where: short stacking energy: -167.256
Base-Backbone interact. energy: -0.181
local terms energy: -189.775088
where:
bonds (distance) C4'-P energy: -32.938
bonds (distance) P-C4' energy: -35.917
flat angles C4'-P-C4' energy: -41.956
flat angles P-C4'-P energy: -26.529
tors. eta vs tors. theta energy: -52.435
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: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -466.904481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.904481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.904481 (E_RNA)
where:
Base-Base interactions energy: -299.527
where: short stacking energy: -143.500
Base-Backbone interact. energy: -1.812
local terms energy: -165.565817
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -40.373
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -46.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -361.368629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.368629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.368629 (E_RNA)
where:
Base-Base interactions energy: -213.831
where: short stacking energy: -100.109
Base-Backbone interact. energy: 0.753
local terms energy: -148.290573
where:
bonds (distance) C4'-P energy: -34.686
bonds (distance) P-C4' energy: -44.408
flat angles C4'-P-C4' energy: -33.329
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -305.664697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.664697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.664697 (E_RNA)
where:
Base-Base interactions energy: -162.070
where: short stacking energy: -85.165
Base-Backbone interact. energy: 0.059
local terms energy: -143.653766
where:
bonds (distance) C4'-P energy: -39.214
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -24.945
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -262.726912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.726912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.726912 (E_RNA)
where:
Base-Base interactions energy: -137.659
where: short stacking energy: -75.577
Base-Backbone interact. energy: 1.229
local terms energy: -126.297251
where:
bonds (distance) C4'-P energy: -28.901
bonds (distance) P-C4' energy: -35.427
flat angles C4'-P-C4' energy: -33.931
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -162.195091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.195091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.195091 (E_RNA)
where:
Base-Base interactions energy: -67.154
where: short stacking energy: -62.638
Base-Backbone interact. energy: 0.791
local terms energy: -95.831761
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -36.270
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -2.171
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: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -690.680246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.680246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.680246 (E_RNA)
where:
Base-Base interactions energy: -471.979
where: short stacking energy: -195.252
Base-Backbone interact. energy: -0.573
local terms energy: -218.128159
where:
bonds (distance) C4'-P energy: -44.606
bonds (distance) P-C4' energy: -36.408
flat angles C4'-P-C4' energy: -43.918
flat angles P-C4'-P energy: -30.147
tors. eta vs tors. theta energy: -63.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -653.788338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.788338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.788338 (E_RNA)
where:
Base-Base interactions energy: -442.949
where: short stacking energy: -191.153
Base-Backbone interact. energy: -1.165
local terms energy: -209.674007
where:
bonds (distance) C4'-P energy: -35.719
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -50.353
flat angles P-C4'-P energy: -32.181
tors. eta vs tors. theta energy: -54.068
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: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -653.906867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.906867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.906867 (E_RNA)
where:
Base-Base interactions energy: -457.829
where: short stacking energy: -180.365
Base-Backbone interact. energy: -0.889
local terms energy: -195.187959
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -40.076
flat angles C4'-P-C4' energy: -45.168
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -50.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -538.088056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.088056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.088056 (E_RNA)
where:
Base-Base interactions energy: -356.867
where: short stacking energy: -162.507
Base-Backbone interact. energy: -2.359
local terms energy: -178.862603
where:
bonds (distance) C4'-P energy: -32.680
bonds (distance) P-C4' energy: -37.566
flat angles C4'-P-C4' energy: -46.858
flat angles P-C4'-P energy: -19.951
tors. eta vs tors. theta energy: -41.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -542.347000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.347000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.347000 (E_RNA)
where:
Base-Base interactions energy: -350.257
where: short stacking energy: -163.629
Base-Backbone interact. energy: -0.808
local terms energy: -191.281403
where:
bonds (distance) C4'-P energy: -41.073
bonds (distance) P-C4' energy: -37.433
flat angles C4'-P-C4' energy: -41.701
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -47.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -455.238837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.238837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.238837 (E_RNA)
where:
Base-Base interactions energy: -292.005
where: short stacking energy: -134.358
Base-Backbone interact. energy: 1.053
local terms energy: -164.287227
where:
bonds (distance) C4'-P energy: -33.626
bonds (distance) P-C4' energy: -38.103
flat angles C4'-P-C4' energy: -37.162
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: -32.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -370.008725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.008725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.008725 (E_RNA)
where:
Base-Base interactions energy: -227.126
where: short stacking energy: -113.526
Base-Backbone interact. energy: -1.543
local terms energy: -141.340452
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -34.329
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -366.109909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.109909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.109909 (E_RNA)
where:
Base-Base interactions energy: -227.695
where: short stacking energy: -100.186
Base-Backbone interact. energy: -1.276
local terms energy: -137.138020
where:
bonds (distance) C4'-P energy: -37.539
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -15.198
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: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -190.918112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.918112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.918112 (E_RNA)
where:
Base-Base interactions energy: -60.977
where: short stacking energy: -45.342
Base-Backbone interact. energy: -1.120
local terms energy: -128.820796
where:
bonds (distance) C4'-P energy: -42.004
bonds (distance) P-C4' energy: -38.901
flat angles C4'-P-C4' energy: -29.386
flat angles P-C4'-P energy: -27.915
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: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -177.989770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.989770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.989770 (E_RNA)
where:
Base-Base interactions energy: -64.626
where: short stacking energy: -53.368
Base-Backbone interact. energy: -0.523
local terms energy: -112.840666
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -37.759
flat angles C4'-P-C4' energy: -31.662
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -3.473
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: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -691.781433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.781433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.781433 (E_RNA)
where:
Base-Base interactions energy: -478.921
where: short stacking energy: -197.528
Base-Backbone interact. energy: -0.648
local terms energy: -212.211582
where:
bonds (distance) C4'-P energy: -43.072
bonds (distance) P-C4' energy: -38.250
flat angles C4'-P-C4' energy: -45.932
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -61.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -669.474206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.474206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.474206 (E_RNA)
where:
Base-Base interactions energy: -465.747
where: short stacking energy: -189.297
Base-Backbone interact. energy: -0.885
local terms energy: -202.842205
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -37.744
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -54.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -647.149819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.149819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.149819 (E_RNA)
where:
Base-Base interactions energy: -445.532
where: short stacking energy: -184.656
Base-Backbone interact. energy: -0.866
local terms energy: -200.752180
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -42.819
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: -53.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -558.592692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.592692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.592692 (E_RNA)
where:
Base-Base interactions energy: -365.775
where: short stacking energy: -164.530
Base-Backbone interact. energy: -0.907
local terms energy: -191.910183
where:
bonds (distance) C4'-P energy: -41.016
bonds (distance) P-C4' energy: -37.813
flat angles C4'-P-C4' energy: -40.280
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -45.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -548.747016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.747016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.747016 (E_RNA)
where:
Base-Base interactions energy: -388.787
where: short stacking energy: -162.211
Base-Backbone interact. energy: -0.049
local terms energy: -159.910767
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -37.461
flat angles P-C4'-P energy: -27.253
tors. eta vs tors. theta energy: -37.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -457.703715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.703715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.703715 (E_RNA)
where:
Base-Base interactions energy: -283.024
where: short stacking energy: -145.659
Base-Backbone interact. energy: -0.444
local terms energy: -174.235083
where:
bonds (distance) C4'-P energy: -37.139
bonds (distance) P-C4' energy: -39.587
flat angles C4'-P-C4' energy: -39.844
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -37.014
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: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -350.904065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.904065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.904065 (E_RNA)
where:
Base-Base interactions energy: -198.408
where: short stacking energy: -105.851
Base-Backbone interact. energy: 0.063
local terms energy: -152.559753
where:
bonds (distance) C4'-P energy: -37.861
bonds (distance) P-C4' energy: -41.894
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -24.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -358.921754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.921754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.921754 (E_RNA)
where:
Base-Base interactions energy: -203.255
where: short stacking energy: -99.408
Base-Backbone interact. energy: -0.361
local terms energy: -155.305507
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -39.271
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -29.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -205.092559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.092559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.092559 (E_RNA)
where:
Base-Base interactions energy: -93.469
where: short stacking energy: -54.638
Base-Backbone interact. energy: 0.697
local terms energy: -112.320009
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -176.788309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.788309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.788309 (E_RNA)
where:
Base-Base interactions energy: -65.269
where: short stacking energy: -45.232
Base-Backbone interact. energy: -0.228
local terms energy: -111.291155
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -40.774
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: 3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -703.318354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.318354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.318354 (E_RNA)
where:
Base-Base interactions energy: -486.696
where: short stacking energy: -185.886
Base-Backbone interact. energy: 0.774
local terms energy: -217.396023
where:
bonds (distance) C4'-P energy: -40.527
bonds (distance) P-C4' energy: -47.820
flat angles C4'-P-C4' energy: -45.887
flat angles P-C4'-P energy: -27.730
tors. eta vs tors. theta energy: -55.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -664.802343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.802343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.802343 (E_RNA)
where:
Base-Base interactions energy: -462.035
where: short stacking energy: -175.689
Base-Backbone interact. energy: -2.695
local terms energy: -200.072729
where:
bonds (distance) C4'-P energy: -42.019
bonds (distance) P-C4' energy: -38.284
flat angles C4'-P-C4' energy: -37.226
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -55.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -651.174315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.174315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.174315 (E_RNA)
where:
Base-Base interactions energy: -459.463
where: short stacking energy: -177.372
Base-Backbone interact. energy: -0.760
local terms energy: -190.951161
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -44.376
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -55.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -577.449117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.449117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.449117 (E_RNA)
where:
Base-Base interactions energy: -386.407
where: short stacking energy: -162.583
Base-Backbone interact. energy: -0.829
local terms energy: -190.213131
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -38.227
flat angles C4'-P-C4' energy: -44.303
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -47.384
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: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -536.814963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.814963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.814963 (E_RNA)
where:
Base-Base interactions energy: -362.843
where: short stacking energy: -153.432
Base-Backbone interact. energy: -2.273
local terms energy: -171.698172
where:
bonds (distance) C4'-P energy: -33.066
bonds (distance) P-C4' energy: -33.011
flat angles C4'-P-C4' energy: -40.200
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: -40.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -472.766935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.766935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.766935 (E_RNA)
where:
Base-Base interactions energy: -309.143
where: short stacking energy: -148.972
Base-Backbone interact. energy: -0.602
local terms energy: -163.022747
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -34.727
flat angles C4'-P-C4' energy: -38.915
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -34.646
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -379.680857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.680857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.680857 (E_RNA)
where:
Base-Base interactions energy: -219.606
where: short stacking energy: -97.842
Base-Backbone interact. energy: -1.191
local terms energy: -158.883801
where:
bonds (distance) C4'-P energy: -30.581
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -39.733
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -300.635555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.635555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.635555 (E_RNA)
where:
Base-Base interactions energy: -162.960
where: short stacking energy: -80.546
Base-Backbone interact. energy: -1.123
local terms energy: -136.552551
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -11.123
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: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -187.031755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.031755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.031755 (E_RNA)
where:
Base-Base interactions energy: -88.846
where: short stacking energy: -67.585
Base-Backbone interact. energy: 7.670
local terms energy: -105.855369
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -37.414
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -6.249
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: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -195.114546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.114546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.114546 (E_RNA)
where:
Base-Base interactions energy: -63.404
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.167
local terms energy: -131.543422
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -38.303
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -22.474
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -702.499005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.499005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.499005 (E_RNA)
where:
Base-Base interactions energy: -496.373
where: short stacking energy: -196.571
Base-Backbone interact. energy: -1.853
local terms energy: -204.272621
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -43.209
flat angles C4'-P-C4' energy: -45.660
flat angles P-C4'-P energy: -27.157
tors. eta vs tors. theta energy: -58.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -672.167961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.167961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.167961 (E_RNA)
where:
Base-Base interactions energy: -463.557
where: short stacking energy: -190.264
Base-Backbone interact. energy: -2.142
local terms energy: -206.469586
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -45.405
flat angles C4'-P-C4' energy: -42.078
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -52.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -645.847635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.847635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.847635 (E_RNA)
where:
Base-Base interactions energy: -440.530
where: short stacking energy: -183.076
Base-Backbone interact. energy: -0.417
local terms energy: -204.900427
where:
bonds (distance) C4'-P energy: -30.975
bonds (distance) P-C4' energy: -37.808
flat angles C4'-P-C4' energy: -45.835
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -64.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -574.660945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.660945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.660945 (E_RNA)
where:
Base-Base interactions energy: -379.440
where: short stacking energy: -161.072
Base-Backbone interact. energy: 0.923
local terms energy: -196.144507
where:
bonds (distance) C4'-P energy: -37.877
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -40.479
flat angles P-C4'-P energy: -27.253
tors. eta vs tors. theta energy: -46.761
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: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -545.922208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.922208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.922208 (E_RNA)
where:
Base-Base interactions energy: -359.234
where: short stacking energy: -151.748
Base-Backbone interact. energy: 0.398
local terms energy: -187.086228
where:
bonds (distance) C4'-P energy: -33.389
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -39.257
flat angles P-C4'-P energy: -35.890
tors. eta vs tors. theta energy: -45.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -395.275900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.275900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.275900 (E_RNA)
where:
Base-Base interactions energy: -240.260
where: short stacking energy: -105.214
Base-Backbone interact. energy: -0.472
local terms energy: -154.544385
where:
bonds (distance) C4'-P energy: -35.490
bonds (distance) P-C4' energy: -34.162
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -23.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -414.390598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.390598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.390598 (E_RNA)
where:
Base-Base interactions energy: -246.195
where: short stacking energy: -122.244
Base-Backbone interact. energy: 1.068
local terms energy: -169.263269
where:
bonds (distance) C4'-P energy: -35.132
bonds (distance) P-C4' energy: -34.002
flat angles C4'-P-C4' energy: -44.241
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -33.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -216.765708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.765708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.765708 (E_RNA)
where:
Base-Base interactions energy: -74.597
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.494
local terms energy: -141.675180
where:
bonds (distance) C4'-P energy: -38.746
bonds (distance) P-C4' energy: -38.437
flat angles C4'-P-C4' energy: -31.549
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -9.268
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: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -275.021819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.021819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.021819 (E_RNA)
where:
Base-Base interactions energy: -152.341
where: short stacking energy: -76.696
Base-Backbone interact. energy: -1.333
local terms energy: -121.347672
where:
bonds (distance) C4'-P energy: -36.621
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -21.673
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: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -175.303395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.303395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.303395 (E_RNA)
where:
Base-Base interactions energy: -62.575
where: short stacking energy: -37.977
Base-Backbone interact. energy: 0.132
local terms energy: -112.860289
where:
bonds (distance) C4'-P energy: -42.443
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: 2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -704.543225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.543225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.543225 (E_RNA)
where:
Base-Base interactions energy: -491.820
where: short stacking energy: -202.151
Base-Backbone interact. energy: -0.932
local terms energy: -211.790554
where:
bonds (distance) C4'-P energy: -33.105
bonds (distance) P-C4' energy: -45.147
flat angles C4'-P-C4' energy: -42.823
flat angles P-C4'-P energy: -31.587
tors. eta vs tors. theta energy: -59.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -664.601313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.601313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.601313 (E_RNA)
where:
Base-Base interactions energy: -454.627
where: short stacking energy: -190.739
Base-Backbone interact. energy: -0.894
local terms energy: -209.079626
where:
bonds (distance) C4'-P energy: -44.786
bonds (distance) P-C4' energy: -42.416
flat angles C4'-P-C4' energy: -40.751
flat angles P-C4'-P energy: -22.139
tors. eta vs tors. theta energy: -58.987
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: 310
Temperature: 1.000000
Total energy: -656.352537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.352537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.352537 (E_RNA)
where:
Base-Base interactions energy: -462.610
where: short stacking energy: -184.041
Base-Backbone interact. energy: -0.518
local terms energy: -193.224583
where:
bonds (distance) C4'-P energy: -42.840
bonds (distance) P-C4' energy: -35.755
flat angles C4'-P-C4' energy: -40.436
flat angles P-C4'-P energy: -25.451
tors. eta vs tors. theta energy: -48.743
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: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -565.388816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.388816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.388816 (E_RNA)
where:
Base-Base interactions energy: -359.392
where: short stacking energy: -156.614
Base-Backbone interact. energy: -2.526
local terms energy: -203.470494
where:
bonds (distance) C4'-P energy: -36.424
bonds (distance) P-C4' energy: -45.548
flat angles C4'-P-C4' energy: -44.479
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -49.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -558.137867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.137867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.137867 (E_RNA)
where:
Base-Base interactions energy: -363.240
where: short stacking energy: -153.831
Base-Backbone interact. energy: -1.839
local terms energy: -193.058672
where:
bonds (distance) C4'-P energy: -33.518
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: -43.547
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: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -381.125671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.125671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.125671 (E_RNA)
where:
Base-Base interactions energy: -245.111
where: short stacking energy: -118.217
Base-Backbone interact. energy: -0.870
local terms energy: -135.144504
where:
bonds (distance) C4'-P energy: -31.750
bonds (distance) P-C4' energy: -27.208
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -19.916
tors. eta vs tors. theta energy: -24.068
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: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -403.793836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.793836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.793836 (E_RNA)
where:
Base-Base interactions energy: -249.876
where: short stacking energy: -119.777
Base-Backbone interact. energy: -0.694
local terms energy: -153.224743
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -37.846
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -23.327
tors. eta vs tors. theta energy: -29.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -183.206020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.206020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.206020 (E_RNA)
where:
Base-Base interactions energy: -66.186
where: short stacking energy: -50.737
Base-Backbone interact. energy: -0.090
local terms energy: -116.929584
where:
bonds (distance) C4'-P energy: -33.436
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -175.763225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.763225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.763225 (E_RNA)
where:
Base-Base interactions energy: -59.351
where: short stacking energy: -52.450
Base-Backbone interact. energy: 4.263
local terms energy: -120.674594
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -33.590
flat angles C4'-P-C4' energy: -33.619
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: 8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -269.285011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.285011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.285011 (E_RNA)
where:
Base-Base interactions energy: -131.259
where: short stacking energy: -72.814
Base-Backbone interact. energy: -0.047
local terms energy: -137.978942
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -36.906
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -694.215507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.215507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.215507 (E_RNA)
where:
Base-Base interactions energy: -485.583
where: short stacking energy: -195.412
Base-Backbone interact. energy: -3.117
local terms energy: -205.515613
where:
bonds (distance) C4'-P energy: -43.167
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -44.186
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -57.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -658.270050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.270050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.270050 (E_RNA)
where:
Base-Base interactions energy: -467.760
where: short stacking energy: -183.600
Base-Backbone interact. energy: -1.325
local terms energy: -189.185268
where:
bonds (distance) C4'-P energy: -34.313
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -44.525
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -51.606
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: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -642.841582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.841582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.841582 (E_RNA)
where:
Base-Base interactions energy: -449.015
where: short stacking energy: -172.004
Base-Backbone interact. energy: -0.251
local terms energy: -193.575172
where:
bonds (distance) C4'-P energy: -38.957
bonds (distance) P-C4' energy: -37.470
flat angles C4'-P-C4' energy: -45.253
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -50.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -565.153468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.153468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.153468 (E_RNA)
where:
Base-Base interactions energy: -395.575
where: short stacking energy: -160.173
Base-Backbone interact. energy: -0.727
local terms energy: -168.851449
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -38.860
flat angles C4'-P-C4' energy: -37.714
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -47.584
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: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -552.993004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.993004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.993004 (E_RNA)
where:
Base-Base interactions energy: -363.329
where: short stacking energy: -165.423
Base-Backbone interact. energy: -0.144
local terms energy: -189.519425
where:
bonds (distance) C4'-P energy: -32.059
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -42.746
flat angles P-C4'-P energy: -29.421
tors. eta vs tors. theta energy: -50.518
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: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -440.895744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.895744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.895744 (E_RNA)
where:
Base-Base interactions energy: -266.188
where: short stacking energy: -131.459
Base-Backbone interact. energy: 0.114
local terms energy: -174.821515
where:
bonds (distance) C4'-P energy: -29.823
bonds (distance) P-C4' energy: -41.514
flat angles C4'-P-C4' energy: -36.616
flat angles P-C4'-P energy: -30.320
tors. eta vs tors. theta energy: -36.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -364.010243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.010243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.010243 (E_RNA)
where:
Base-Base interactions energy: -202.776
where: short stacking energy: -101.977
Base-Backbone interact. energy: -1.781
local terms energy: -159.453270
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -40.493
flat angles P-C4'-P energy: -27.830
tors. eta vs tors. theta energy: -27.877
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: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -188.989060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.989060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.989060 (E_RNA)
where:
Base-Base interactions energy: -80.319
where: short stacking energy: -69.954
Base-Backbone interact. energy: -0.470
local terms energy: -108.200084
where:
bonds (distance) C4'-P energy: -33.186
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -24.601
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -295.718950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.718950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.718950 (E_RNA)
where:
Base-Base interactions energy: -169.158
where: short stacking energy: -74.022
Base-Backbone interact. energy: 0.600
local terms energy: -127.161109
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -31.910
flat angles C4'-P-C4' energy: -42.134
flat angles P-C4'-P energy: -14.241
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -256.666159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.666159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.666159 (E_RNA)
where:
Base-Base interactions energy: -125.876
where: short stacking energy: -74.532
Base-Backbone interact. energy: -0.335
local terms energy: -130.455204
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -33.674
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -27.194
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -699.004506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.004506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.004506 (E_RNA)
where:
Base-Base interactions energy: -484.338
where: short stacking energy: -190.475
Base-Backbone interact. energy: -0.828
local terms energy: -213.838896
where:
bonds (distance) C4'-P energy: -39.831
bonds (distance) P-C4' energy: -39.982
flat angles C4'-P-C4' energy: -45.788
flat angles P-C4'-P energy: -26.801
tors. eta vs tors. theta energy: -61.437
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: 312
Temperature: 0.950000
Total energy: -657.195407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.195407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.195407 (E_RNA)
where:
Base-Base interactions energy: -459.203
where: short stacking energy: -186.808
Base-Backbone interact. energy: 3.627
local terms energy: -201.619081
where:
bonds (distance) C4'-P energy: -32.686
bonds (distance) P-C4' energy: -43.882
flat angles C4'-P-C4' energy: -42.482
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -56.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -648.153944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.153944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.153944 (E_RNA)
where:
Base-Base interactions energy: -436.202
where: short stacking energy: -179.545
Base-Backbone interact. energy: 0.570
local terms energy: -212.521979
where:
bonds (distance) C4'-P energy: -40.919
bonds (distance) P-C4' energy: -40.451
flat angles C4'-P-C4' energy: -44.866
flat angles P-C4'-P energy: -23.989
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: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -583.957463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.957463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.957463 (E_RNA)
where:
Base-Base interactions energy: -390.081
where: short stacking energy: -176.348
Base-Backbone interact. energy: 0.372
local terms energy: -194.248900
where:
bonds (distance) C4'-P energy: -35.807
bonds (distance) P-C4' energy: -42.102
flat angles C4'-P-C4' energy: -40.196
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -50.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -551.768407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.768407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.768407 (E_RNA)
where:
Base-Base interactions energy: -379.958
where: short stacking energy: -156.784
Base-Backbone interact. energy: -0.321
local terms energy: -171.489026
where:
bonds (distance) C4'-P energy: -32.539
bonds (distance) P-C4' energy: -30.687
flat angles C4'-P-C4' energy: -38.908
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -45.864
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: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -438.163344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.163344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.163344 (E_RNA)
where:
Base-Base interactions energy: -261.063
where: short stacking energy: -134.106
Base-Backbone interact. energy: 1.198
local terms energy: -178.298429
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -41.903
flat angles C4'-P-C4' energy: -43.967
flat angles P-C4'-P energy: -28.645
tors. eta vs tors. theta energy: -34.954
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: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -370.794462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.794462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.794462 (E_RNA)
where:
Base-Base interactions energy: -213.550
where: short stacking energy: -115.991
Base-Backbone interact. energy: -0.181
local terms energy: -157.063119
where:
bonds (distance) C4'-P energy: -33.936
bonds (distance) P-C4' energy: -45.269
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -26.021
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: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -231.742765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.742765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.742765 (E_RNA)
where:
Base-Base interactions energy: -92.187
where: short stacking energy: -58.083
Base-Backbone interact. energy: 0.727
local terms energy: -140.283219
where:
bonds (distance) C4'-P energy: -41.026
bonds (distance) P-C4' energy: -43.468
flat angles C4'-P-C4' energy: -30.469
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -6.476
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: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -235.608807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.608807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.608807 (E_RNA)
where:
Base-Base interactions energy: -114.964
where: short stacking energy: -57.721
Base-Backbone interact. energy: -0.517
local terms energy: -120.127737
where:
bonds (distance) C4'-P energy: -28.255
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -39.869
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -237.560885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.560885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.560885 (E_RNA)
where:
Base-Base interactions energy: -126.172
where: short stacking energy: -63.143
Base-Backbone interact. energy: 0.916
local terms energy: -112.305349
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -706.845883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.845883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.845883 (E_RNA)
where:
Base-Base interactions energy: -482.494
where: short stacking energy: -185.933
Base-Backbone interact. energy: -2.791
local terms energy: -221.560261
where:
bonds (distance) C4'-P energy: -43.262
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -60.242
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: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -653.017064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.017064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.017064 (E_RNA)
where:
Base-Base interactions energy: -447.311
where: short stacking energy: -168.784
Base-Backbone interact. energy: -1.104
local terms energy: -204.602604
where:
bonds (distance) C4'-P energy: -43.474
bonds (distance) P-C4' energy: -40.019
flat angles C4'-P-C4' energy: -41.669
flat angles P-C4'-P energy: -24.457
tors. eta vs tors. theta energy: -54.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -629.665914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.665914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.665914 (E_RNA)
where:
Base-Base interactions energy: -448.661
where: short stacking energy: -169.447
Base-Backbone interact. energy: 1.406
local terms energy: -182.410892
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -49.140
flat angles P-C4'-P energy: -20.140
tors. eta vs tors. theta energy: -45.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -586.969147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.969147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.969147 (E_RNA)
where:
Base-Base interactions energy: -392.322
where: short stacking energy: -166.648
Base-Backbone interact. energy: -0.324
local terms energy: -194.323034
where:
bonds (distance) C4'-P energy: -38.199
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -36.470
flat angles P-C4'-P energy: -36.065
tors. eta vs tors. theta energy: -50.947
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: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -518.409617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.409617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.409617 (E_RNA)
where:
Base-Base interactions energy: -344.605
where: short stacking energy: -142.920
Base-Backbone interact. energy: -0.012
local terms energy: -173.793038
where:
bonds (distance) C4'-P energy: -38.754
bonds (distance) P-C4' energy: -36.020
flat angles C4'-P-C4' energy: -37.004
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -36.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -439.077434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.077434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.077434 (E_RNA)
where:
Base-Base interactions energy: -266.532
where: short stacking energy: -130.976
Base-Backbone interact. energy: 1.433
local terms energy: -173.978979
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -45.671
flat angles C4'-P-C4' energy: -34.558
flat angles P-C4'-P energy: -31.435
tors. eta vs tors. theta energy: -29.188
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: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -363.121876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.121876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.121876 (E_RNA)
where:
Base-Base interactions energy: -216.373
where: short stacking energy: -104.377
Base-Backbone interact. energy: -0.339
local terms energy: -146.410157
where:
bonds (distance) C4'-P energy: -38.137
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -24.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -269.481147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.481147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.481147 (E_RNA)
where:
Base-Base interactions energy: -156.369
where: short stacking energy: -76.414
Base-Backbone interact. energy: 0.586
local terms energy: -113.698359
where:
bonds (distance) C4'-P energy: -33.333
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -35.127
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -218.291991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.291991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.291991 (E_RNA)
where:
Base-Base interactions energy: -69.995
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.541
local terms energy: -147.755497
where:
bonds (distance) C4'-P energy: -37.950
bonds (distance) P-C4' energy: -42.562
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -29.606
tors. eta vs tors. theta energy: -9.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -209.180822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.180822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.180822 (E_RNA)
where:
Base-Base interactions energy: -84.533
where: short stacking energy: -36.710
Base-Backbone interact. energy: -1.243
local terms energy: -123.404170
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -43.841
flat angles C4'-P-C4' energy: -35.349
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: 6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -686.121429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.121429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.121429 (E_RNA)
where:
Base-Base interactions energy: -480.997
where: short stacking energy: -186.856
Base-Backbone interact. energy: -1.228
local terms energy: -203.896235
where:
bonds (distance) C4'-P energy: -40.533
bonds (distance) P-C4' energy: -42.041
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -29.526
tors. eta vs tors. theta energy: -56.105
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: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -661.010858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.010858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.010858 (E_RNA)
where:
Base-Base interactions energy: -443.315
where: short stacking energy: -185.200
Base-Backbone interact. energy: -0.600
local terms energy: -217.096316
where:
bonds (distance) C4'-P energy: -39.994
bonds (distance) P-C4' energy: -49.880
flat angles C4'-P-C4' energy: -49.146
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -53.118
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: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -658.477640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.477640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.477640 (E_RNA)
where:
Base-Base interactions energy: -466.050
where: short stacking energy: -186.712
Base-Backbone interact. energy: 0.664
local terms energy: -193.091333
where:
bonds (distance) C4'-P energy: -38.737
bonds (distance) P-C4' energy: -43.080
flat angles C4'-P-C4' energy: -41.305
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -52.119
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: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -574.858854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.858854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.858854 (E_RNA)
where:
Base-Base interactions energy: -378.173
where: short stacking energy: -165.042
Base-Backbone interact. energy: -0.800
local terms energy: -195.886726
where:
bonds (distance) C4'-P energy: -42.491
bonds (distance) P-C4' energy: -34.122
flat angles C4'-P-C4' energy: -40.808
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: -50.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -550.801260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.801260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.801260 (E_RNA)
where:
Base-Base interactions energy: -365.705
where: short stacking energy: -166.967
Base-Backbone interact. energy: 0.887
local terms energy: -185.982400
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -35.386
flat angles C4'-P-C4' energy: -40.238
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -49.785
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: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -414.208811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.208811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.208811 (E_RNA)
where:
Base-Base interactions energy: -250.690
where: short stacking energy: -121.437
Base-Backbone interact. energy: 0.068
local terms energy: -163.586485
where:
bonds (distance) C4'-P energy: -37.324
bonds (distance) P-C4' energy: -43.953
flat angles C4'-P-C4' energy: -29.118
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -31.795
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: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -365.184615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.184615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.184615 (E_RNA)
where:
Base-Base interactions energy: -201.678
where: short stacking energy: -98.011
Base-Backbone interact. energy: 0.165
local terms energy: -163.671642
where:
bonds (distance) C4'-P energy: -32.232
bonds (distance) P-C4' energy: -42.419
flat angles C4'-P-C4' energy: -39.770
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -26.260
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: 314
Temperature: 1.250000
Total energy: -290.176995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.176995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.176995 (E_RNA)
where:
Base-Base interactions energy: -148.469
where: short stacking energy: -66.685
Base-Backbone interact. energy: 1.895
local terms energy: -143.603739
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -43.951
flat angles C4'-P-C4' energy: -41.027
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -7.823
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: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -199.492046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.492046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.492046 (E_RNA)
where:
Base-Base interactions energy: -78.430
where: short stacking energy: -65.606
Base-Backbone interact. energy: 0.652
local terms energy: -121.713840
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -44.425
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -168.904234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.904234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.904234 (E_RNA)
where:
Base-Base interactions energy: -66.325
where: short stacking energy: -54.550
Base-Backbone interact. energy: 1.088
local terms energy: -103.667151
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -34.625
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -694.449045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.449045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.449045 (E_RNA)
where:
Base-Base interactions energy: -493.560
where: short stacking energy: -189.261
Base-Backbone interact. energy: -1.362
local terms energy: -199.526228
where:
bonds (distance) C4'-P energy: -36.431
bonds (distance) P-C4' energy: -39.969
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -58.586
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: 315
Temperature: 0.950000
Total energy: -664.303854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.303854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.303854 (E_RNA)
where:
Base-Base interactions energy: -463.579
where: short stacking energy: -185.705
Base-Backbone interact. energy: -3.088
local terms energy: -197.637073
where:
bonds (distance) C4'-P energy: -34.970
bonds (distance) P-C4' energy: -42.002
flat angles C4'-P-C4' energy: -43.087
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -55.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -647.845100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.845100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.845100 (E_RNA)
where:
Base-Base interactions energy: -446.940
where: short stacking energy: -182.495
Base-Backbone interact. energy: -0.834
local terms energy: -200.072015
where:
bonds (distance) C4'-P energy: -38.325
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -25.701
tors. eta vs tors. theta energy: -52.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -562.567073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.567073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.567073 (E_RNA)
where:
Base-Base interactions energy: -364.977
where: short stacking energy: -161.265
Base-Backbone interact. energy: -0.250
local terms energy: -197.339854
where:
bonds (distance) C4'-P energy: -36.908
bonds (distance) P-C4' energy: -39.640
flat angles C4'-P-C4' energy: -48.291
flat angles P-C4'-P energy: -22.285
tors. eta vs tors. theta energy: -50.216
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: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -559.413411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.413411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.413411 (E_RNA)
where:
Base-Base interactions energy: -377.010
where: short stacking energy: -172.154
Base-Backbone interact. energy: -0.243
local terms energy: -182.160324
where:
bonds (distance) C4'-P energy: -36.777
bonds (distance) P-C4' energy: -35.563
flat angles C4'-P-C4' energy: -39.900
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: -44.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -431.217060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.217060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.217060 (E_RNA)
where:
Base-Base interactions energy: -261.705
where: short stacking energy: -126.157
Base-Backbone interact. energy: -1.254
local terms energy: -168.258032
where:
bonds (distance) C4'-P energy: -41.538
bonds (distance) P-C4' energy: -32.936
flat angles C4'-P-C4' energy: -39.211
flat angles P-C4'-P energy: -25.165
tors. eta vs tors. theta energy: -29.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -370.561594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.561594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.561594 (E_RNA)
where:
Base-Base interactions energy: -222.054
where: short stacking energy: -109.081
Base-Backbone interact. energy: -0.529
local terms energy: -147.978051
where:
bonds (distance) C4'-P energy: -34.754
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -31.793
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -290.895971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.895971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.895971 (E_RNA)
where:
Base-Base interactions energy: -159.323
where: short stacking energy: -90.915
Base-Backbone interact. energy: -0.279
local terms energy: -131.293644
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -33.240
flat angles C4'-P-C4' energy: -32.964
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -19.025
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: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -229.085232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.085232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.085232 (E_RNA)
where:
Base-Base interactions energy: -101.493
where: short stacking energy: -74.359
Base-Backbone interact. energy: -2.275
local terms energy: -125.318029
where:
bonds (distance) C4'-P energy: -26.818
bonds (distance) P-C4' energy: -36.995
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -175.846167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.846167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.846167 (E_RNA)
where:
Base-Base interactions energy: -52.138
where: short stacking energy: -49.881
Base-Backbone interact. energy: -0.332
local terms energy: -123.376208
where:
bonds (distance) C4'-P energy: -37.036
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -1.678
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: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -697.161160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.161160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.161160 (E_RNA)
where:
Base-Base interactions energy: -476.244
where: short stacking energy: -194.824
Base-Backbone interact. energy: -0.394
local terms energy: -220.522835
where:
bonds (distance) C4'-P energy: -41.661
bonds (distance) P-C4' energy: -40.287
flat angles C4'-P-C4' energy: -37.865
flat angles P-C4'-P energy: -38.201
tors. eta vs tors. theta energy: -62.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -670.652983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.652983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.652983 (E_RNA)
where:
Base-Base interactions energy: -468.005
where: short stacking energy: -193.583
Base-Backbone interact. energy: -0.632
local terms energy: -202.015945
where:
bonds (distance) C4'-P energy: -38.689
bonds (distance) P-C4' energy: -36.123
flat angles C4'-P-C4' energy: -37.889
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: -59.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -628.691929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.691929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.691929 (E_RNA)
where:
Base-Base interactions energy: -436.514
where: short stacking energy: -172.581
Base-Backbone interact. energy: -1.577
local terms energy: -190.600906
where:
bonds (distance) C4'-P energy: -36.089
bonds (distance) P-C4' energy: -38.558
flat angles C4'-P-C4' energy: -44.139
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -46.942
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: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -551.207872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.207872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.207872 (E_RNA)
where:
Base-Base interactions energy: -377.366
where: short stacking energy: -149.031
Base-Backbone interact. energy: -0.466
local terms energy: -173.374915
where:
bonds (distance) C4'-P energy: -33.889
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -37.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -552.989015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.989015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.989015 (E_RNA)
where:
Base-Base interactions energy: -369.890
where: short stacking energy: -169.101
Base-Backbone interact. energy: -0.917
local terms energy: -182.182150
where:
bonds (distance) C4'-P energy: -36.770
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -40.396
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -49.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -423.358107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.358107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.358107 (E_RNA)
where:
Base-Base interactions energy: -247.615
where: short stacking energy: -134.302
Base-Backbone interact. energy: 0.602
local terms energy: -176.344893
where:
bonds (distance) C4'-P energy: -39.913
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -39.993
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -33.484
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: 316
Temperature: 1.200000
Total energy: -369.023357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.023357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.023357 (E_RNA)
where:
Base-Base interactions energy: -205.844
where: short stacking energy: -115.071
Base-Backbone interact. energy: 0.018
local terms energy: -163.196818
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -41.441
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -283.245324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.245324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.245324 (E_RNA)
where:
Base-Base interactions energy: -148.741
where: short stacking energy: -84.593
Base-Backbone interact. energy: -0.790
local terms energy: -133.713899
where:
bonds (distance) C4'-P energy: -38.535
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -25.407
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: 316
Temperature: 1.300000
Total energy: -216.310186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.310186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.310186 (E_RNA)
where:
Base-Base interactions energy: -96.458
where: short stacking energy: -53.125
Base-Backbone interact. energy: -0.522
local terms energy: -119.330288
where:
bonds (distance) C4'-P energy: -36.232
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -28.618
tors. eta vs tors. theta energy: 11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -214.679397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.679397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.679397 (E_RNA)
where:
Base-Base interactions energy: -86.164
where: short stacking energy: -79.338
Base-Backbone interact. energy: -0.627
local terms energy: -127.888886
where:
bonds (distance) C4'-P energy: -36.275
bonds (distance) P-C4' energy: -34.403
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -7.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -665.933430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.933430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.933430 (E_RNA)
where:
Base-Base interactions energy: -454.489
where: short stacking energy: -175.190
Base-Backbone interact. energy: -0.682
local terms energy: -210.762657
where:
bonds (distance) C4'-P energy: -43.798
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -47.088
flat angles P-C4'-P energy: -18.740
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: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -645.750984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.750984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.750984 (E_RNA)
where:
Base-Base interactions energy: -449.162
where: short stacking energy: -169.456
Base-Backbone interact. energy: -0.627
local terms energy: -195.962099
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -45.464
flat angles C4'-P-C4' energy: -39.021
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -47.458
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: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -640.257237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.257237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.257237 (E_RNA)
where:
Base-Base interactions energy: -452.410
where: short stacking energy: -192.213
Base-Backbone interact. energy: -0.727
local terms energy: -187.120971
where:
bonds (distance) C4'-P energy: -38.072
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -37.131
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -60.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -567.976302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.976302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.976302 (E_RNA)
where:
Base-Base interactions energy: -377.241
where: short stacking energy: -169.489
Base-Backbone interact. energy: -1.124
local terms energy: -189.611660
where:
bonds (distance) C4'-P energy: -42.846
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -50.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -565.870363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.870363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.870363 (E_RNA)
where:
Base-Base interactions energy: -369.588
where: short stacking energy: -159.610
Base-Backbone interact. energy: -0.943
local terms energy: -195.339658
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -37.865
flat angles C4'-P-C4' energy: -35.945
flat angles P-C4'-P energy: -29.103
tors. eta vs tors. theta energy: -54.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -404.228943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.228943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.228943 (E_RNA)
where:
Base-Base interactions energy: -230.900
where: short stacking energy: -120.904
Base-Backbone interact. energy: -0.609
local terms energy: -172.720001
where:
bonds (distance) C4'-P energy: -43.019
bonds (distance) P-C4' energy: -33.927
flat angles C4'-P-C4' energy: -39.963
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -29.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -396.679060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.679060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.679060 (E_RNA)
where:
Base-Base interactions energy: -238.667
where: short stacking energy: -111.767
Base-Backbone interact. energy: -1.618
local terms energy: -156.393525
where:
bonds (distance) C4'-P energy: -32.566
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -31.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -286.233019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.233019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.233019 (E_RNA)
where:
Base-Base interactions energy: -153.546
where: short stacking energy: -80.798
Base-Backbone interact. energy: 0.520
local terms energy: -133.206533
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -221.442624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.442624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.442624 (E_RNA)
where:
Base-Base interactions energy: -105.290
where: short stacking energy: -63.639
Base-Backbone interact. energy: 0.367
local terms energy: -116.519731
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -22.155
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -170.152636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.152636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.152636 (E_RNA)
where:
Base-Base interactions energy: -64.048
where: short stacking energy: -63.540
Base-Backbone interact. energy: -0.083
local terms energy: -106.021270
where:
bonds (distance) C4'-P energy: -29.724
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: 2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -666.523533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.523533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.523533 (E_RNA)
where:
Base-Base interactions energy: -465.292
where: short stacking energy: -185.966
Base-Backbone interact. energy: -1.599
local terms energy: -199.632202
where:
bonds (distance) C4'-P energy: -36.542
bonds (distance) P-C4' energy: -43.150
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -31.341
tors. eta vs tors. theta energy: -49.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -662.584968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.584968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.584968 (E_RNA)
where:
Base-Base interactions energy: -455.851
where: short stacking energy: -187.831
Base-Backbone interact. energy: -1.618
local terms energy: -205.116785
where:
bonds (distance) C4'-P energy: -42.234
bonds (distance) P-C4' energy: -39.384
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -31.255
tors. eta vs tors. theta energy: -57.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -652.089219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.089219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.089219 (E_RNA)
where:
Base-Base interactions energy: -445.354
where: short stacking energy: -195.238
Base-Backbone interact. energy: -0.559
local terms energy: -206.176165
where:
bonds (distance) C4'-P energy: -31.905
bonds (distance) P-C4' energy: -43.449
flat angles C4'-P-C4' energy: -40.737
flat angles P-C4'-P energy: -31.221
tors. eta vs tors. theta energy: -58.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -563.889063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.889063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.889063 (E_RNA)
where:
Base-Base interactions energy: -377.914
where: short stacking energy: -165.890
Base-Backbone interact. energy: -0.107
local terms energy: -185.868257
where:
bonds (distance) C4'-P energy: -36.599
bonds (distance) P-C4' energy: -37.889
flat angles C4'-P-C4' energy: -46.750
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -46.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -563.729397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.729397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.729397 (E_RNA)
where:
Base-Base interactions energy: -376.670
where: short stacking energy: -160.869
Base-Backbone interact. energy: -1.636
local terms energy: -185.423841
where:
bonds (distance) C4'-P energy: -34.935
bonds (distance) P-C4' energy: -37.934
flat angles C4'-P-C4' energy: -40.770
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -49.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -402.772068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.772068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.772068 (E_RNA)
where:
Base-Base interactions energy: -248.281
where: short stacking energy: -132.122
Base-Backbone interact. energy: -0.233
local terms energy: -154.257174
where:
bonds (distance) C4'-P energy: -27.780
bonds (distance) P-C4' energy: -39.362
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -31.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -356.610807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.610807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.610807 (E_RNA)
where:
Base-Base interactions energy: -208.803
where: short stacking energy: -114.641
Base-Backbone interact. energy: 2.552
local terms energy: -150.359732
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -36.671
flat angles C4'-P-C4' energy: -35.440
flat angles P-C4'-P energy: -22.744
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: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -282.789199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.789199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.789199 (E_RNA)
where:
Base-Base interactions energy: -140.185
where: short stacking energy: -70.734
Base-Backbone interact. energy: -0.071
local terms energy: -142.532837
where:
bonds (distance) C4'-P energy: -42.313
bonds (distance) P-C4' energy: -34.448
flat angles C4'-P-C4' energy: -36.842
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -217.617377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.617377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.617377 (E_RNA)
where:
Base-Base interactions energy: -115.785
where: short stacking energy: -55.550
Base-Backbone interact. energy: -1.691
local terms energy: -100.141746
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -40.595
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: 5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -189.996363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.996363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.996363 (E_RNA)
where:
Base-Base interactions energy: -58.807
where: short stacking energy: -57.339
Base-Backbone interact. energy: -0.481
local terms energy: -130.707802
where:
bonds (distance) C4'-P energy: -31.280
bonds (distance) P-C4' energy: -33.221
flat angles C4'-P-C4' energy: -30.165
flat angles P-C4'-P energy: -29.937
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -669.135911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.135911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.135911 (E_RNA)
where:
Base-Base interactions energy: -472.687
where: short stacking energy: -167.486
Base-Backbone interact. energy: -1.369
local terms energy: -195.080029
where:
bonds (distance) C4'-P energy: -43.618
bonds (distance) P-C4' energy: -41.795
flat angles C4'-P-C4' energy: -39.868
flat angles P-C4'-P energy: -25.013
tors. eta vs tors. theta energy: -44.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -672.500486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.500486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.500486 (E_RNA)
where:
Base-Base interactions energy: -461.707
where: short stacking energy: -183.029
Base-Backbone interact. energy: -1.422
local terms energy: -209.371629
where:
bonds (distance) C4'-P energy: -34.779
bonds (distance) P-C4' energy: -42.041
flat angles C4'-P-C4' energy: -41.228
flat angles P-C4'-P energy: -32.713
tors. eta vs tors. theta energy: -58.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -656.580270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.580270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.580270 (E_RNA)
where:
Base-Base interactions energy: -462.414
where: short stacking energy: -187.329
Base-Backbone interact. energy: -0.455
local terms energy: -193.711346
where:
bonds (distance) C4'-P energy: -25.836
bonds (distance) P-C4' energy: -40.781
flat angles C4'-P-C4' energy: -41.139
flat angles P-C4'-P energy: -26.439
tors. eta vs tors. theta energy: -59.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -576.387646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.387646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.387646 (E_RNA)
where:
Base-Base interactions energy: -401.117
where: short stacking energy: -174.564
Base-Backbone interact. energy: -0.334
local terms energy: -174.937031
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -43.642
flat angles P-C4'-P energy: -25.305
tors. eta vs tors. theta energy: -45.451
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: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -533.896762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.896762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.896762 (E_RNA)
where:
Base-Base interactions energy: -347.796
where: short stacking energy: -160.082
Base-Backbone interact. energy: 0.606
local terms energy: -186.707239
where:
bonds (distance) C4'-P energy: -33.231
bonds (distance) P-C4' energy: -30.585
flat angles C4'-P-C4' energy: -47.888
flat angles P-C4'-P energy: -26.160
tors. eta vs tors. theta energy: -48.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -445.368529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.368529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.368529 (E_RNA)
where:
Base-Base interactions energy: -277.384
where: short stacking energy: -132.790
Base-Backbone interact. energy: 2.893
local terms energy: -170.877631
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -40.962
flat angles C4'-P-C4' energy: -40.838
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -30.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -371.143365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.143365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.143365 (E_RNA)
where:
Base-Base interactions energy: -217.960
where: short stacking energy: -103.514
Base-Backbone interact. energy: -0.922
local terms energy: -152.261155
where:
bonds (distance) C4'-P energy: -36.295
bonds (distance) P-C4' energy: -40.288
flat angles C4'-P-C4' energy: -31.663
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -25.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -286.341852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.341852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.341852 (E_RNA)
where:
Base-Base interactions energy: -135.778
where: short stacking energy: -81.795
Base-Backbone interact. energy: -0.102
local terms energy: -150.461634
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -40.219
flat angles C4'-P-C4' energy: -37.895
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -222.410035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.410035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.410035 (E_RNA)
where:
Base-Base interactions energy: -110.315
where: short stacking energy: -54.605
Base-Backbone interact. energy: 0.868
local terms energy: -112.963126
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -29.036
tors. eta vs tors. theta energy: -1.266
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: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -164.772278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.772278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.772278 (E_RNA)
where:
Base-Base interactions energy: -42.344
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.214
local terms energy: -122.214218
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -40.171
flat angles C4'-P-C4' energy: -35.133
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: 8.708
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: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -675.003550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.003550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.003550 (E_RNA)
where:
Base-Base interactions energy: -454.857
where: short stacking energy: -187.123
Base-Backbone interact. energy: -1.750
local terms energy: -218.396314
where:
bonds (distance) C4'-P energy: -37.778
bonds (distance) P-C4' energy: -44.166
flat angles C4'-P-C4' energy: -45.626
flat angles P-C4'-P energy: -28.079
tors. eta vs tors. theta energy: -62.747
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: 320
Temperature: 0.950000
Total energy: -658.913573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.913573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.913573 (E_RNA)
where:
Base-Base interactions energy: -477.769
where: short stacking energy: -153.785
Base-Backbone interact. energy: -1.679
local terms energy: -179.466455
where:
bonds (distance) C4'-P energy: -37.202
bonds (distance) P-C4' energy: -42.098
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -42.457
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: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -655.176665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.176665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.176665 (E_RNA)
where:
Base-Base interactions energy: -448.826
where: short stacking energy: -188.981
Base-Backbone interact. energy: -0.449
local terms energy: -205.901719
where:
bonds (distance) C4'-P energy: -40.726
bonds (distance) P-C4' energy: -40.967
flat angles C4'-P-C4' energy: -37.407
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: -60.886
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: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -581.929749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.929749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.929749 (E_RNA)
where:
Base-Base interactions energy: -381.124
where: short stacking energy: -165.045
Base-Backbone interact. energy: -0.267
local terms energy: -200.538570
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -45.459
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -51.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -550.827304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.827304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.827304 (E_RNA)
where:
Base-Base interactions energy: -376.582
where: short stacking energy: -179.213
Base-Backbone interact. energy: -0.398
local terms energy: -173.847289
where:
bonds (distance) C4'-P energy: -31.234
bonds (distance) P-C4' energy: -34.331
flat angles C4'-P-C4' energy: -40.429
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -47.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -439.522771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.522771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.522771 (E_RNA)
where:
Base-Base interactions energy: -276.860
where: short stacking energy: -123.349
Base-Backbone interact. energy: -1.559
local terms energy: -161.103378
where:
bonds (distance) C4'-P energy: -38.392
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -37.260
flat angles P-C4'-P energy: -29.558
tors. eta vs tors. theta energy: -29.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -373.759291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.759291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.759291 (E_RNA)
where:
Base-Base interactions energy: -228.545
where: short stacking energy: -107.959
Base-Backbone interact. energy: 0.284
local terms energy: -145.498402
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -38.724
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -28.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -282.385869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.385869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.385869 (E_RNA)
where:
Base-Base interactions energy: -137.023
where: short stacking energy: -88.615
Base-Backbone interact. energy: -0.372
local terms energy: -144.990636
where:
bonds (distance) C4'-P energy: -36.889
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -188.533152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.533152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.533152 (E_RNA)
where:
Base-Base interactions energy: -72.357
where: short stacking energy: -53.316
Base-Backbone interact. energy: -0.197
local terms energy: -115.979523
where:
bonds (distance) C4'-P energy: -36.538
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -191.659797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.659797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.659797 (E_RNA)
where:
Base-Base interactions energy: -73.137
where: short stacking energy: -41.846
Base-Backbone interact. energy: -1.636
local terms energy: -116.886718
where:
bonds (distance) C4'-P energy: -34.586
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: 1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -687.231581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.231581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.231581 (E_RNA)
where:
Base-Base interactions energy: -481.216
where: short stacking energy: -191.859
Base-Backbone interact. energy: 2.743
local terms energy: -208.757754
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -39.293
flat angles C4'-P-C4' energy: -42.447
flat angles P-C4'-P energy: -28.980
tors. eta vs tors. theta energy: -56.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -670.278414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.278414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.278414 (E_RNA)
where:
Base-Base interactions energy: -464.575
where: short stacking energy: -172.221
Base-Backbone interact. energy: -1.263
local terms energy: -204.440609
where:
bonds (distance) C4'-P energy: -42.717
bonds (distance) P-C4' energy: -47.512
flat angles C4'-P-C4' energy: -39.953
flat angles P-C4'-P energy: -29.348
tors. eta vs tors. theta energy: -44.910
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: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -637.957211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.957211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.957211 (E_RNA)
where:
Base-Base interactions energy: -427.451
where: short stacking energy: -179.996
Base-Backbone interact. energy: -1.266
local terms energy: -209.240300
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -37.165
flat angles C4'-P-C4' energy: -44.252
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -59.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -570.033609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.033609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.033609 (E_RNA)
where:
Base-Base interactions energy: -381.724
where: short stacking energy: -156.685
Base-Backbone interact. energy: -1.028
local terms energy: -187.281612
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -38.477
flat angles C4'-P-C4' energy: -36.118
flat angles P-C4'-P energy: -32.606
tors. eta vs tors. theta energy: -45.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -583.291417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.291417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.291417 (E_RNA)
where:
Base-Base interactions energy: -392.833
where: short stacking energy: -165.360
Base-Backbone interact. energy: -0.196
local terms energy: -190.262073
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -36.489
flat angles C4'-P-C4' energy: -38.882
flat angles P-C4'-P energy: -25.831
tors. eta vs tors. theta energy: -54.284
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: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -427.446345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.446345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.446345 (E_RNA)
where:
Base-Base interactions energy: -272.740
where: short stacking energy: -128.532
Base-Backbone interact. energy: 0.270
local terms energy: -154.975722
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -38.283
flat angles C4'-P-C4' energy: -34.277
flat angles P-C4'-P energy: -21.625
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: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -355.000584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.000584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.000584 (E_RNA)
where:
Base-Base interactions energy: -220.412
where: short stacking energy: -77.123
Base-Backbone interact. energy: -1.405
local terms energy: -133.183962
where:
bonds (distance) C4'-P energy: -45.780
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -15.762
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -286.124864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.124864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.124864 (E_RNA)
where:
Base-Base interactions energy: -139.640
where: short stacking energy: -86.709
Base-Backbone interact. energy: 3.862
local terms energy: -150.346241
where:
bonds (distance) C4'-P energy: -37.794
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -26.472
tors. eta vs tors. theta energy: -17.191
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: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -175.133081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.133081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.133081 (E_RNA)
where:
Base-Base interactions energy: -68.481
where: short stacking energy: -62.291
Base-Backbone interact. energy: 0.842
local terms energy: -107.494167
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -185.972513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.972513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.972513 (E_RNA)
where:
Base-Base interactions energy: -67.421
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.689
local terms energy: -117.862338
where:
bonds (distance) C4'-P energy: -34.067
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -10.734
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: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -697.367191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.367191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.367191 (E_RNA)
where:
Base-Base interactions energy: -503.712
where: short stacking energy: -193.523
Base-Backbone interact. energy: 1.493
local terms energy: -195.147649
where:
bonds (distance) C4'-P energy: -37.523
bonds (distance) P-C4' energy: -41.782
flat angles C4'-P-C4' energy: -35.083
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -51.292
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: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -653.692514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.692514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.692514 (E_RNA)
where:
Base-Base interactions energy: -478.971
where: short stacking energy: -167.458
Base-Backbone interact. energy: -2.514
local terms energy: -172.207222
where:
bonds (distance) C4'-P energy: -38.154
bonds (distance) P-C4' energy: -35.070
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -39.130
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: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -641.324979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.324979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.324979 (E_RNA)
where:
Base-Base interactions energy: -438.329
where: short stacking energy: -173.334
Base-Backbone interact. energy: 0.967
local terms energy: -203.963417
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -47.332
flat angles P-C4'-P energy: -30.473
tors. eta vs tors. theta energy: -54.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -571.167629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.167629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.167629 (E_RNA)
where:
Base-Base interactions energy: -387.824
where: short stacking energy: -152.074
Base-Backbone interact. energy: -1.475
local terms energy: -181.868583
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -40.588
flat angles C4'-P-C4' energy: -42.497
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -46.114
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: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -587.063161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.063161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.063161 (E_RNA)
where:
Base-Base interactions energy: -395.269
where: short stacking energy: -160.054
Base-Backbone interact. energy: -0.718
local terms energy: -191.076370
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -38.291
flat angles C4'-P-C4' energy: -41.763
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -47.759
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: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -422.832766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.832766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.832766 (E_RNA)
where:
Base-Base interactions energy: -253.938
where: short stacking energy: -111.436
Base-Backbone interact. energy: -1.269
local terms energy: -167.625860
where:
bonds (distance) C4'-P energy: -42.431
bonds (distance) P-C4' energy: -37.913
flat angles C4'-P-C4' energy: -39.357
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -30.353
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: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -372.149618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.149618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.149618 (E_RNA)
where:
Base-Base interactions energy: -207.057
where: short stacking energy: -100.598
Base-Backbone interact. energy: -0.285
local terms energy: -164.806950
where:
bonds (distance) C4'-P energy: -34.705
bonds (distance) P-C4' energy: -35.824
flat angles C4'-P-C4' energy: -43.160
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -306.215037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.215037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.215037 (E_RNA)
where:
Base-Base interactions energy: -176.348
where: short stacking energy: -113.660
Base-Backbone interact. energy: 0.104
local terms energy: -129.971287
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -195.132563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.132563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.132563 (E_RNA)
where:
Base-Base interactions energy: -69.640
where: short stacking energy: -43.873
Base-Backbone interact. energy: -1.204
local terms energy: -124.288623
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -40.051
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -159.193419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.193419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.193419 (E_RNA)
where:
Base-Base interactions energy: -46.583
where: short stacking energy: -40.447
Base-Backbone interact. energy: -0.845
local terms energy: -111.765797
where:
bonds (distance) C4'-P energy: -36.254
bonds (distance) P-C4' energy: -42.953
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: 5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -668.075548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.075548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.075548 (E_RNA)
where:
Base-Base interactions energy: -465.458
where: short stacking energy: -195.711
Base-Backbone interact. energy: -1.934
local terms energy: -200.682933
where:
bonds (distance) C4'-P energy: -38.687
bonds (distance) P-C4' energy: -35.562
flat angles C4'-P-C4' energy: -41.115
flat angles P-C4'-P energy: -28.143
tors. eta vs tors. theta energy: -57.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -652.164772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.164772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.164772 (E_RNA)
where:
Base-Base interactions energy: -458.908
where: short stacking energy: -169.625
Base-Backbone interact. energy: 0.405
local terms energy: -193.661113
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -36.741
flat angles C4'-P-C4' energy: -46.449
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -45.148
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: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -658.338024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.338024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.338024 (E_RNA)
where:
Base-Base interactions energy: -456.668
where: short stacking energy: -182.894
Base-Backbone interact. energy: -0.716
local terms energy: -200.954146
where:
bonds (distance) C4'-P energy: -39.406
bonds (distance) P-C4' energy: -39.971
flat angles C4'-P-C4' energy: -43.225
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -55.305
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: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -567.685155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.685155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.685155 (E_RNA)
where:
Base-Base interactions energy: -378.707
where: short stacking energy: -166.859
Base-Backbone interact. energy: -0.930
local terms energy: -188.048529
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -45.559
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -19.231
tors. eta vs tors. theta energy: -51.994
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: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -575.459174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.459174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.459174 (E_RNA)
where:
Base-Base interactions energy: -391.119
where: short stacking energy: -156.978
Base-Backbone interact. energy: -0.476
local terms energy: -183.864326
where:
bonds (distance) C4'-P energy: -45.175
bonds (distance) P-C4' energy: -41.842
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -44.360
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: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -419.509184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.509184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.509184 (E_RNA)
where:
Base-Base interactions energy: -258.366
where: short stacking energy: -132.160
Base-Backbone interact. energy: 0.480
local terms energy: -161.623549
where:
bonds (distance) C4'-P energy: -29.246
bonds (distance) P-C4' energy: -34.518
flat angles C4'-P-C4' energy: -39.827
flat angles P-C4'-P energy: -18.320
tors. eta vs tors. theta energy: -39.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -352.108143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.108143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.108143 (E_RNA)
where:
Base-Base interactions energy: -200.131
where: short stacking energy: -101.962
Base-Backbone interact. energy: -0.820
local terms energy: -151.157511
where:
bonds (distance) C4'-P energy: -42.459
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -23.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -304.192514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.192514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.192514 (E_RNA)
where:
Base-Base interactions energy: -166.055
where: short stacking energy: -82.535
Base-Backbone interact. energy: 0.577
local terms energy: -138.714244
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -38.395
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -23.702
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: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -189.004375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.004375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.004375 (E_RNA)
where:
Base-Base interactions energy: -81.620
where: short stacking energy: -64.958
Base-Backbone interact. energy: 1.957
local terms energy: -109.341088
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -33.377
flat angles C4'-P-C4' energy: -26.317
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: 1.078
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: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -184.545050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.545050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.545050 (E_RNA)
where:
Base-Base interactions energy: -70.424
where: short stacking energy: -58.639
Base-Backbone interact. energy: -0.889
local terms energy: -113.231947
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -30.953
flat angles P-C4'-P energy: -19.019
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: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -664.033174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.033174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.033174 (E_RNA)
where:
Base-Base interactions energy: -463.888
where: short stacking energy: -178.040
Base-Backbone interact. energy: -0.665
local terms energy: -199.480582
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -43.626
flat angles C4'-P-C4' energy: -41.714
flat angles P-C4'-P energy: -31.086
tors. eta vs tors. theta energy: -48.057
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: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -683.715621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.715621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.715621 (E_RNA)
where:
Base-Base interactions energy: -493.084
where: short stacking energy: -184.660
Base-Backbone interact. energy: -1.894
local terms energy: -188.737529
where:
bonds (distance) C4'-P energy: -31.592
bonds (distance) P-C4' energy: -34.197
flat angles C4'-P-C4' energy: -40.908
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: -58.150
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: 324
Temperature: 1.000000
Total energy: -646.072274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.072274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.072274 (E_RNA)
where:
Base-Base interactions energy: -449.903
where: short stacking energy: -202.296
Base-Backbone interact. energy: -1.267
local terms energy: -194.902859
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -36.600
flat angles C4'-P-C4' energy: -46.102
flat angles P-C4'-P energy: -29.749
tors. eta vs tors. theta energy: -57.688
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: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -572.071801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.071801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.071801 (E_RNA)
where:
Base-Base interactions energy: -379.078
where: short stacking energy: -165.669
Base-Backbone interact. energy: 0.519
local terms energy: -193.512311
where:
bonds (distance) C4'-P energy: -36.502
bonds (distance) P-C4' energy: -32.999
flat angles C4'-P-C4' energy: -37.342
flat angles P-C4'-P energy: -29.317
tors. eta vs tors. theta energy: -57.351
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: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -573.488165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.488165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.488165 (E_RNA)
where:
Base-Base interactions energy: -376.970
where: short stacking energy: -158.642
Base-Backbone interact. energy: -1.064
local terms energy: -195.454031
where:
bonds (distance) C4'-P energy: -46.687
bonds (distance) P-C4' energy: -37.943
flat angles C4'-P-C4' energy: -42.644
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -48.834
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: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -441.265154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.265154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.265154 (E_RNA)
where:
Base-Base interactions energy: -281.045
where: short stacking energy: -125.593
Base-Backbone interact. energy: -0.276
local terms energy: -159.944118
where:
bonds (distance) C4'-P energy: -34.494
bonds (distance) P-C4' energy: -32.494
flat angles C4'-P-C4' energy: -36.501
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -37.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -323.427072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.427072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.427072 (E_RNA)
where:
Base-Base interactions energy: -181.045
where: short stacking energy: -76.809
Base-Backbone interact. energy: -2.011
local terms energy: -140.371698
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -35.247
flat angles C4'-P-C4' energy: -37.747
flat angles P-C4'-P energy: -30.232
tors. eta vs tors. theta energy: -12.371
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: 324
Temperature: 1.250000
Total energy: -345.132714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.132714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.132714 (E_RNA)
where:
Base-Base interactions energy: -206.672
where: short stacking energy: -99.361
Base-Backbone interact. energy: -0.122
local terms energy: -138.338870
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -39.274
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -202.199681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.199681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.199681 (E_RNA)
where:
Base-Base interactions energy: -71.284
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.786
local terms energy: -130.129087
where:
bonds (distance) C4'-P energy: -31.374
bonds (distance) P-C4' energy: -35.800
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -163.469597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.469597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.469597 (E_RNA)
where:
Base-Base interactions energy: -54.716
where: short stacking energy: -44.945
Base-Backbone interact. energy: 1.720
local terms energy: -110.473206
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: 11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -657.148163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.148163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.148163 (E_RNA)
where:
Base-Base interactions energy: -471.729
where: short stacking energy: -173.360
Base-Backbone interact. energy: -1.996
local terms energy: -183.423570
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -38.581
flat angles C4'-P-C4' energy: -40.103
flat angles P-C4'-P energy: -31.060
tors. eta vs tors. theta energy: -45.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -672.083259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.083259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.083259 (E_RNA)
where:
Base-Base interactions energy: -477.774
where: short stacking energy: -190.857
Base-Backbone interact. energy: -1.718
local terms energy: -192.591085
where:
bonds (distance) C4'-P energy: -37.963
bonds (distance) P-C4' energy: -40.815
flat angles C4'-P-C4' energy: -39.443
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -53.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -661.655485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.655485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.655485 (E_RNA)
where:
Base-Base interactions energy: -453.268
where: short stacking energy: -186.882
Base-Backbone interact. energy: -0.424
local terms energy: -207.964148
where:
bonds (distance) C4'-P energy: -39.126
bonds (distance) P-C4' energy: -43.765
flat angles C4'-P-C4' energy: -41.139
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: -55.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -572.127779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.127779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.127779 (E_RNA)
where:
Base-Base interactions energy: -382.779
where: short stacking energy: -162.103
Base-Backbone interact. energy: 1.344
local terms energy: -190.693129
where:
bonds (distance) C4'-P energy: -29.473
bonds (distance) P-C4' energy: -43.432
flat angles C4'-P-C4' energy: -40.400
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -52.226
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: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -564.005608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.005608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.005608 (E_RNA)
where:
Base-Base interactions energy: -380.905
where: short stacking energy: -160.750
Base-Backbone interact. energy: 0.007
local terms energy: -183.107635
where:
bonds (distance) C4'-P energy: -36.042
bonds (distance) P-C4' energy: -35.540
flat angles C4'-P-C4' energy: -32.024
flat angles P-C4'-P energy: -30.292
tors. eta vs tors. theta energy: -49.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -455.820033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.820033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.820033 (E_RNA)
where:
Base-Base interactions energy: -294.064
where: short stacking energy: -133.134
Base-Backbone interact. energy: -0.866
local terms energy: -160.890306
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -32.226
flat angles C4'-P-C4' energy: -38.123
flat angles P-C4'-P energy: -28.846
tors. eta vs tors. theta energy: -30.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -342.054673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.054673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.054673 (E_RNA)
where:
Base-Base interactions energy: -194.175
where: short stacking energy: -95.089
Base-Backbone interact. energy: -0.749
local terms energy: -147.130647
where:
bonds (distance) C4'-P energy: -41.096
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -36.734
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -295.208097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.208097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.208097 (E_RNA)
where:
Base-Base interactions energy: -152.966
where: short stacking energy: -96.480
Base-Backbone interact. energy: -0.564
local terms energy: -141.677829
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -41.052
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -206.636477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.636477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.636477 (E_RNA)
where:
Base-Base interactions energy: -76.017
where: short stacking energy: -70.516
Base-Backbone interact. energy: 0.271
local terms energy: -130.890671
where:
bonds (distance) C4'-P energy: -32.147
bonds (distance) P-C4' energy: -43.622
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -16.968
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: 325
Temperature: 1.350000
Total energy: -170.065971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.065971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.065971 (E_RNA)
where:
Base-Base interactions energy: -51.929
where: short stacking energy: -45.968
Base-Backbone interact. energy: 1.006
local terms energy: -119.142309
where:
bonds (distance) C4'-P energy: -37.998
bonds (distance) P-C4' energy: -41.681
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -17.049
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: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -658.517466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.517466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.517466 (E_RNA)
where:
Base-Base interactions energy: -468.829
where: short stacking energy: -177.544
Base-Backbone interact. energy: -2.521
local terms energy: -187.167578
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -43.252
flat angles C4'-P-C4' energy: -36.444
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -43.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -683.699019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.699019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.699019 (E_RNA)
where:
Base-Base interactions energy: -474.034
where: short stacking energy: -184.525
Base-Backbone interact. energy: -0.405
local terms energy: -209.260090
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -43.051
flat angles C4'-P-C4' energy: -45.774
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: -55.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -644.310321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.310321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.310321 (E_RNA)
where:
Base-Base interactions energy: -454.939
where: short stacking energy: -192.740
Base-Backbone interact. energy: -0.259
local terms energy: -189.112275
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -34.324
flat angles C4'-P-C4' energy: -39.470
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -60.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -560.947866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.947866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.947866 (E_RNA)
where:
Base-Base interactions energy: -363.210
where: short stacking energy: -167.516
Base-Backbone interact. energy: -0.520
local terms energy: -197.217306
where:
bonds (distance) C4'-P energy: -33.923
bonds (distance) P-C4' energy: -43.561
flat angles C4'-P-C4' energy: -39.857
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -57.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -581.859109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.859109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.859109 (E_RNA)
where:
Base-Base interactions energy: -385.160
where: short stacking energy: -171.035
Base-Backbone interact. energy: -0.929
local terms energy: -195.770174
where:
bonds (distance) C4'-P energy: -34.742
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -39.587
flat angles P-C4'-P energy: -36.311
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: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -480.055794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.055794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.055794 (E_RNA)
where:
Base-Base interactions energy: -303.352
where: short stacking energy: -145.177
Base-Backbone interact. energy: -1.157
local terms energy: -175.546521
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -41.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -374.736584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.736584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.736584 (E_RNA)
where:
Base-Base interactions energy: -231.392
where: short stacking energy: -105.459
Base-Backbone interact. energy: -0.313
local terms energy: -143.031440
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -36.257
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -25.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -291.021371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.021371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.021371 (E_RNA)
where:
Base-Base interactions energy: -158.417
where: short stacking energy: -76.910
Base-Backbone interact. energy: 1.870
local terms energy: -134.474577
where:
bonds (distance) C4'-P energy: -28.355
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -36.266
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -274.527878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.527878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.527878 (E_RNA)
where:
Base-Base interactions energy: -139.469
where: short stacking energy: -72.759
Base-Backbone interact. energy: -1.557
local terms energy: -133.502714
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -40.138
flat angles C4'-P-C4' energy: -34.300
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -5.035
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: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -161.680358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.680358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.680358 (E_RNA)
where:
Base-Base interactions energy: -63.454
where: short stacking energy: -43.660
Base-Backbone interact. energy: -0.723
local terms energy: -97.502887
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -31.184
flat angles C4'-P-C4' energy: -32.369
flat angles P-C4'-P energy: -23.099
tors. eta vs tors. theta energy: 13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -658.418990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.418990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.418990 (E_RNA)
where:
Base-Base interactions energy: -465.637
where: short stacking energy: -170.825
Base-Backbone interact. energy: -0.849
local terms energy: -191.933371
where:
bonds (distance) C4'-P energy: -41.108
bonds (distance) P-C4' energy: -39.198
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -47.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -677.494215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.494215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.494215 (E_RNA)
where:
Base-Base interactions energy: -469.464
where: short stacking energy: -195.172
Base-Backbone interact. energy: -0.666
local terms energy: -207.364739
where:
bonds (distance) C4'-P energy: -34.944
bonds (distance) P-C4' energy: -45.052
flat angles C4'-P-C4' energy: -42.482
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -54.466
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: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -644.247762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.247762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.247762 (E_RNA)
where:
Base-Base interactions energy: -442.435
where: short stacking energy: -193.757
Base-Backbone interact. energy: -0.194
local terms energy: -201.618242
where:
bonds (distance) C4'-P energy: -31.846
bonds (distance) P-C4' energy: -41.744
flat angles C4'-P-C4' energy: -44.285
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: -59.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -597.799225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.799225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.799225 (E_RNA)
where:
Base-Base interactions energy: -407.225
where: short stacking energy: -177.826
Base-Backbone interact. energy: 0.565
local terms energy: -191.139156
where:
bonds (distance) C4'-P energy: -31.788
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -47.841
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -54.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -539.670573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.670573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.670573 (E_RNA)
where:
Base-Base interactions energy: -356.941
where: short stacking energy: -154.103
Base-Backbone interact. energy: -2.176
local terms energy: -180.554033
where:
bonds (distance) C4'-P energy: -36.113
bonds (distance) P-C4' energy: -42.370
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -40.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -454.804814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.804814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.804814 (E_RNA)
where:
Base-Base interactions energy: -274.699
where: short stacking energy: -150.648
Base-Backbone interact. energy: -0.775
local terms energy: -179.331293
where:
bonds (distance) C4'-P energy: -38.341
bonds (distance) P-C4' energy: -37.362
flat angles C4'-P-C4' energy: -35.054
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -43.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -391.446949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.446949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.446949 (E_RNA)
where:
Base-Base interactions energy: -237.890
where: short stacking energy: -106.523
Base-Backbone interact. energy: -0.888
local terms energy: -152.669636
where:
bonds (distance) C4'-P energy: -38.720
bonds (distance) P-C4' energy: -38.014
flat angles C4'-P-C4' energy: -33.214
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -26.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -267.417513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.417513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.417513 (E_RNA)
where:
Base-Base interactions energy: -134.828
where: short stacking energy: -61.390
Base-Backbone interact. energy: 2.919
local terms energy: -135.508096
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -37.769
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -28.482
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: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -241.006850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.006850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.006850 (E_RNA)
where:
Base-Base interactions energy: -108.036
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.688
local terms energy: -132.282108
where:
bonds (distance) C4'-P energy: -35.443
bonds (distance) P-C4' energy: -37.593
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -0.934
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: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -162.428292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.428292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.428292 (E_RNA)
where:
Base-Base interactions energy: -52.733
where: short stacking energy: -48.310
Base-Backbone interact. energy: -0.473
local terms energy: -109.222587
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -41.615
flat angles C4'-P-C4' energy: -27.128
flat angles P-C4'-P energy: -16.100
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: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -682.264146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.264146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.264146 (E_RNA)
where:
Base-Base interactions energy: -471.334
where: short stacking energy: -186.308
Base-Backbone interact. energy: -0.504
local terms energy: -210.426470
where:
bonds (distance) C4'-P energy: -40.346
bonds (distance) P-C4' energy: -42.388
flat angles C4'-P-C4' energy: -45.016
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -55.113
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: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -659.220152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.220152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.220152 (E_RNA)
where:
Base-Base interactions energy: -467.286
where: short stacking energy: -175.020
Base-Backbone interact. energy: -0.815
local terms energy: -191.119132
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -34.705
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: -46.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -607.431647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.431647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.431647 (E_RNA)
where:
Base-Base interactions energy: -397.652
where: short stacking energy: -184.123
Base-Backbone interact. energy: 0.171
local terms energy: -209.951104
where:
bonds (distance) C4'-P energy: -38.256
bonds (distance) P-C4' energy: -41.909
flat angles C4'-P-C4' energy: -42.520
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -59.052
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: 328
Temperature: 1.050000
Total energy: -646.714163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.714163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.714163 (E_RNA)
where:
Base-Base interactions energy: -452.318
where: short stacking energy: -180.269
Base-Backbone interact. energy: 3.989
local terms energy: -198.385053
where:
bonds (distance) C4'-P energy: -32.598
bonds (distance) P-C4' energy: -42.405
flat angles C4'-P-C4' energy: -39.001
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -59.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -470.936132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.936132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.936132 (E_RNA)
where:
Base-Base interactions energy: -284.291
where: short stacking energy: -157.143
Base-Backbone interact. energy: -0.076
local terms energy: -186.569077
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -42.977
flat angles C4'-P-C4' energy: -37.261
flat angles P-C4'-P energy: -28.034
tors. eta vs tors. theta energy: -45.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -520.019955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.019955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.019955 (E_RNA)
where:
Base-Base interactions energy: -346.596
where: short stacking energy: -135.311
Base-Backbone interact. energy: -0.501
local terms energy: -172.923029
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -44.562
flat angles C4'-P-C4' energy: -37.216
flat angles P-C4'-P energy: -25.707
tors. eta vs tors. theta energy: -38.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -400.527894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.527894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.527894 (E_RNA)
where:
Base-Base interactions energy: -249.620
where: short stacking energy: -115.987
Base-Backbone interact. energy: 0.125
local terms energy: -151.033119
where:
bonds (distance) C4'-P energy: -33.642
bonds (distance) P-C4' energy: -30.056
flat angles C4'-P-C4' energy: -39.665
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -28.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -271.274055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.274055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.274055 (E_RNA)
where:
Base-Base interactions energy: -130.205
where: short stacking energy: -81.006
Base-Backbone interact. energy: -0.369
local terms energy: -140.700095
where:
bonds (distance) C4'-P energy: -37.819
bonds (distance) P-C4' energy: -42.716
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -6.465
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: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -182.627354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.627354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.627354 (E_RNA)
where:
Base-Base interactions energy: -62.910
where: short stacking energy: -61.868
Base-Backbone interact. energy: -1.040
local terms energy: -118.677074
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -38.222
flat angles C4'-P-C4' energy: -33.850
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: 3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -172.535624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.535624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.535624 (E_RNA)
where:
Base-Base interactions energy: -45.737
where: short stacking energy: -43.593
Base-Backbone interact. energy: 1.990
local terms energy: -128.788745
where:
bonds (distance) C4'-P energy: -41.794
bonds (distance) P-C4' energy: -38.558
flat angles C4'-P-C4' energy: -29.466
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -686.040958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.040958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.040958 (E_RNA)
where:
Base-Base interactions energy: -465.280
where: short stacking energy: -192.249
Base-Backbone interact. energy: -0.802
local terms energy: -219.958728
where:
bonds (distance) C4'-P energy: -40.247
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -49.547
flat angles P-C4'-P energy: -33.121
tors. eta vs tors. theta energy: -53.328
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: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -649.917990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.917990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.917990 (E_RNA)
where:
Base-Base interactions energy: -447.605
where: short stacking energy: -154.435
Base-Backbone interact. energy: -0.510
local terms energy: -201.802469
where:
bonds (distance) C4'-P energy: -46.670
bonds (distance) P-C4' energy: -45.636
flat angles C4'-P-C4' energy: -44.253
flat angles P-C4'-P energy: -27.147
tors. eta vs tors. theta energy: -38.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -604.509898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.509898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.509898 (E_RNA)
where:
Base-Base interactions energy: -403.676
where: short stacking energy: -176.248
Base-Backbone interact. energy: -0.074
local terms energy: -200.759228
where:
bonds (distance) C4'-P energy: -40.050
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -37.557
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -58.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -642.913972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.913972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.913972 (E_RNA)
where:
Base-Base interactions energy: -442.523
where: short stacking energy: -179.664
Base-Backbone interact. energy: 0.930
local terms energy: -201.321349
where:
bonds (distance) C4'-P energy: -35.056
bonds (distance) P-C4' energy: -37.690
flat angles C4'-P-C4' energy: -41.831
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -55.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -460.523993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.523993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.523993 (E_RNA)
where:
Base-Base interactions energy: -278.508
where: short stacking energy: -126.621
Base-Backbone interact. energy: -1.269
local terms energy: -180.746233
where:
bonds (distance) C4'-P energy: -35.569
bonds (distance) P-C4' energy: -43.680
flat angles C4'-P-C4' energy: -45.590
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -34.311
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: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -536.615521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.615521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.615521 (E_RNA)
where:
Base-Base interactions energy: -376.099
where: short stacking energy: -146.977
Base-Backbone interact. energy: -0.515
local terms energy: -160.001328
where:
bonds (distance) C4'-P energy: -40.827
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -27.763
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -44.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -399.464825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.464825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.464825 (E_RNA)
where:
Base-Base interactions energy: -262.925
where: short stacking energy: -111.411
Base-Backbone interact. energy: 0.471
local terms energy: -137.010492
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -37.043
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -273.025915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.025915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.025915 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -73.956
Base-Backbone interact. energy: 1.081
local terms energy: -134.887065
where:
bonds (distance) C4'-P energy: -37.570
bonds (distance) P-C4' energy: -36.970
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -181.770003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.770003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.770003 (E_RNA)
where:
Base-Base interactions energy: -69.327
where: short stacking energy: -58.410
Base-Backbone interact. energy: 0.806
local terms energy: -113.248633
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -191.934576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.934576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.934576 (E_RNA)
where:
Base-Base interactions energy: -85.540
where: short stacking energy: -60.609
Base-Backbone interact. energy: -2.267
local terms energy: -104.126631
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -34.779
flat angles C4'-P-C4' energy: -29.743
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -674.749608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.749608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.749608 (E_RNA)
where:
Base-Base interactions energy: -466.980
where: short stacking energy: -177.538
Base-Backbone interact. energy: -0.590
local terms energy: -207.179123
where:
bonds (distance) C4'-P energy: -40.063
bonds (distance) P-C4' energy: -40.590
flat angles C4'-P-C4' energy: -44.777
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -56.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -649.818966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.818966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.818966 (E_RNA)
where:
Base-Base interactions energy: -462.967
where: short stacking energy: -153.676
Base-Backbone interact. energy: -2.407
local terms energy: -184.445466
where:
bonds (distance) C4'-P energy: -39.585
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -32.044
tors. eta vs tors. theta energy: -41.807
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: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -640.394461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.394461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.394461 (E_RNA)
where:
Base-Base interactions energy: -437.020
where: short stacking energy: -192.690
Base-Backbone interact. energy: -0.798
local terms energy: -202.576754
where:
bonds (distance) C4'-P energy: -42.396
bonds (distance) P-C4' energy: -34.239
flat angles C4'-P-C4' energy: -44.909
flat angles P-C4'-P energy: -30.320
tors. eta vs tors. theta energy: -50.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -600.864083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.864083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.864083 (E_RNA)
where:
Base-Base interactions energy: -406.887
where: short stacking energy: -170.314
Base-Backbone interact. energy: -0.467
local terms energy: -193.509777
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -39.042
flat angles C4'-P-C4' energy: -37.795
flat angles P-C4'-P energy: -25.290
tors. eta vs tors. theta energy: -50.702
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: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -561.154045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.154045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.154045 (E_RNA)
where:
Base-Base interactions energy: -380.176
where: short stacking energy: -166.815
Base-Backbone interact. energy: -0.697
local terms energy: -180.281533
where:
bonds (distance) C4'-P energy: -33.514
bonds (distance) P-C4' energy: -37.482
flat angles C4'-P-C4' energy: -35.625
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -54.659
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: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -457.406354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.406354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.406354 (E_RNA)
where:
Base-Base interactions energy: -282.766
where: short stacking energy: -141.610
Base-Backbone interact. energy: -0.313
local terms energy: -174.327022
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -42.012
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -40.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -416.605486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.605486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.605486 (E_RNA)
where:
Base-Base interactions energy: -273.578
where: short stacking energy: -103.988
Base-Backbone interact. energy: 0.168
local terms energy: -143.195603
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -38.235
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -21.054
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: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -203.643185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.643185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.643185 (E_RNA)
where:
Base-Base interactions energy: -73.202
where: short stacking energy: -63.047
Base-Backbone interact. energy: 2.564
local terms energy: -133.004900
where:
bonds (distance) C4'-P energy: -34.119
bonds (distance) P-C4' energy: -42.040
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -22.474
tors. eta vs tors. theta energy: -0.154
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: 330
Temperature: 1.300000
Total energy: -170.924240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.924240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.924240 (E_RNA)
where:
Base-Base interactions energy: -42.367
where: short stacking energy: -34.610
Base-Backbone interact. energy: -1.012
local terms energy: -127.544742
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -36.690
flat angles C4'-P-C4' energy: -42.674
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -177.112649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.112649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.112649 (E_RNA)
where:
Base-Base interactions energy: -58.439
where: short stacking energy: -48.522
Base-Backbone interact. energy: -1.720
local terms energy: -116.953278
where:
bonds (distance) C4'-P energy: -40.384
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -669.573995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.573995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.573995 (E_RNA)
where:
Base-Base interactions energy: -474.381
where: short stacking energy: -173.829
Base-Backbone interact. energy: 0.309
local terms energy: -195.501507
where:
bonds (distance) C4'-P energy: -38.623
bonds (distance) P-C4' energy: -42.492
flat angles C4'-P-C4' energy: -39.610
flat angles P-C4'-P energy: -26.468
tors. eta vs tors. theta energy: -48.309
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: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -686.070151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.070151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.070151 (E_RNA)
where:
Base-Base interactions energy: -480.157
where: short stacking energy: -189.921
Base-Backbone interact. energy: -2.361
local terms energy: -203.551964
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -38.187
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -27.219
tors. eta vs tors. theta energy: -57.251
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: 331
Temperature: 1.000000
Total energy: -638.781463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.781463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.781463 (E_RNA)
where:
Base-Base interactions energy: -442.791
where: short stacking energy: -165.274
Base-Backbone interact. energy: -1.034
local terms energy: -194.956873
where:
bonds (distance) C4'-P energy: -40.771
bonds (distance) P-C4' energy: -36.620
flat angles C4'-P-C4' energy: -42.907
flat angles P-C4'-P energy: -32.112
tors. eta vs tors. theta energy: -42.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -570.108212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.108212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.108212 (E_RNA)
where:
Base-Base interactions energy: -387.761
where: short stacking energy: -171.375
Base-Backbone interact. energy: 2.032
local terms energy: -184.379434
where:
bonds (distance) C4'-P energy: -36.115
bonds (distance) P-C4' energy: -41.005
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -41.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -573.862990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.862990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.862990 (E_RNA)
where:
Base-Base interactions energy: -391.761
where: short stacking energy: -166.668
Base-Backbone interact. energy: -0.689
local terms energy: -181.412717
where:
bonds (distance) C4'-P energy: -37.545
bonds (distance) P-C4' energy: -33.722
flat angles C4'-P-C4' energy: -47.975
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -41.802
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: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -441.500602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.500602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.500602 (E_RNA)
where:
Base-Base interactions energy: -270.232
where: short stacking energy: -129.765
Base-Backbone interact. energy: -1.204
local terms energy: -170.065033
where:
bonds (distance) C4'-P energy: -31.885
bonds (distance) P-C4' energy: -44.333
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -36.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -391.096914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.096914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.096914 (E_RNA)
where:
Base-Base interactions energy: -249.003
where: short stacking energy: -91.498
Base-Backbone interact. energy: -2.491
local terms energy: -139.603647
where:
bonds (distance) C4'-P energy: -31.146
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -28.785
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -191.241047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.241047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.241047 (E_RNA)
where:
Base-Base interactions energy: -60.627
where: short stacking energy: -45.056
Base-Backbone interact. energy: -0.810
local terms energy: -129.804500
where:
bonds (distance) C4'-P energy: -30.320
bonds (distance) P-C4' energy: -41.212
flat angles C4'-P-C4' energy: -37.532
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -182.710234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.710234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.710234 (E_RNA)
where:
Base-Base interactions energy: -64.254
where: short stacking energy: -57.977
Base-Backbone interact. energy: 2.783
local terms energy: -121.238398
where:
bonds (distance) C4'-P energy: -37.059
bonds (distance) P-C4' energy: -37.480
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: 0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -163.897449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.897449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.897449 (E_RNA)
where:
Base-Base interactions energy: -70.168
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.886
local terms energy: -92.843082
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: 7.320
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: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -693.191685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.191685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.191685 (E_RNA)
where:
Base-Base interactions energy: -478.675
where: short stacking energy: -192.193
Base-Backbone interact. energy: -1.252
local terms energy: -213.264529
where:
bonds (distance) C4'-P energy: -37.131
bonds (distance) P-C4' energy: -40.961
flat angles C4'-P-C4' energy: -47.913
flat angles P-C4'-P energy: -22.361
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: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -667.006205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.006205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.006205 (E_RNA)
where:
Base-Base interactions energy: -458.594
where: short stacking energy: -168.921
Base-Backbone interact. energy: -1.487
local terms energy: -206.924994
where:
bonds (distance) C4'-P energy: -40.667
bonds (distance) P-C4' energy: -41.416
flat angles C4'-P-C4' energy: -42.201
flat angles P-C4'-P energy: -29.269
tors. eta vs tors. theta energy: -53.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -638.625998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.625998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.625998 (E_RNA)
where:
Base-Base interactions energy: -459.459
where: short stacking energy: -171.716
Base-Backbone interact. energy: -1.867
local terms energy: -177.300315
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -37.616
flat angles C4'-P-C4' energy: -38.412
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -41.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -574.874941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.874941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.874941 (E_RNA)
where:
Base-Base interactions energy: -376.398
where: short stacking energy: -162.489
Base-Backbone interact. energy: 0.770
local terms energy: -199.246428
where:
bonds (distance) C4'-P energy: -36.644
bonds (distance) P-C4' energy: -42.174
flat angles C4'-P-C4' energy: -41.210
flat angles P-C4'-P energy: -31.977
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -568.531226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.531226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.531226 (E_RNA)
where:
Base-Base interactions energy: -382.236
where: short stacking energy: -170.098
Base-Backbone interact. energy: -0.189
local terms energy: -186.105846
where:
bonds (distance) C4'-P energy: -38.337
bonds (distance) P-C4' energy: -25.154
flat angles C4'-P-C4' energy: -42.036
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -49.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -453.336916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.336916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.336916 (E_RNA)
where:
Base-Base interactions energy: -272.685
where: short stacking energy: -131.325
Base-Backbone interact. energy: -0.220
local terms energy: -180.432556
where:
bonds (distance) C4'-P energy: -43.755
bonds (distance) P-C4' energy: -36.376
flat angles C4'-P-C4' energy: -39.535
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -36.066
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: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -385.856632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.856632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.856632 (E_RNA)
where:
Base-Base interactions energy: -234.693
where: short stacking energy: -98.236
Base-Backbone interact. energy: 0.797
local terms energy: -151.960920
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -26.668
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: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -218.570994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.570994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.570994 (E_RNA)
where:
Base-Base interactions energy: -82.633
where: short stacking energy: -77.373
Base-Backbone interact. energy: -0.554
local terms energy: -135.384056
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -37.121
flat angles C4'-P-C4' energy: -40.516
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -215.005140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.005140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.005140 (E_RNA)
where:
Base-Base interactions energy: -91.104
where: short stacking energy: -57.073
Base-Backbone interact. energy: -0.313
local terms energy: -123.587692
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -37.651
flat angles C4'-P-C4' energy: -33.544
flat angles P-C4'-P energy: -26.440
tors. eta vs tors. theta energy: 3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -183.625022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.625022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.625022 (E_RNA)
where:
Base-Base interactions energy: -63.477
where: short stacking energy: -42.887
Base-Backbone interact. energy: -0.181
local terms energy: -119.966827
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -40.400
flat angles C4'-P-C4' energy: -34.707
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: 5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -693.393726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.393726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.393726 (E_RNA)
where:
Base-Base interactions energy: -489.319
where: short stacking energy: -197.664
Base-Backbone interact. energy: -0.619
local terms energy: -203.455123
where:
bonds (distance) C4'-P energy: -38.677
bonds (distance) P-C4' energy: -37.745
flat angles C4'-P-C4' energy: -42.278
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -57.576
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: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -675.623424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.623424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.623424 (E_RNA)
where:
Base-Base interactions energy: -468.312
where: short stacking energy: -180.297
Base-Backbone interact. energy: -1.385
local terms energy: -205.926303
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -42.357
flat angles C4'-P-C4' energy: -42.639
flat angles P-C4'-P energy: -27.730
tors. eta vs tors. theta energy: -52.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -631.190758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.190758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.190758 (E_RNA)
where:
Base-Base interactions energy: -434.648
where: short stacking energy: -166.979
Base-Backbone interact. energy: -1.072
local terms energy: -195.470710
where:
bonds (distance) C4'-P energy: -38.284
bonds (distance) P-C4' energy: -37.766
flat angles C4'-P-C4' energy: -40.175
flat angles P-C4'-P energy: -33.674
tors. eta vs tors. theta energy: -45.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -612.269315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.269315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.269315 (E_RNA)
where:
Base-Base interactions energy: -409.315
where: short stacking energy: -181.875
Base-Backbone interact. energy: -0.218
local terms energy: -202.736088
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -39.965
flat angles C4'-P-C4' energy: -39.349
flat angles P-C4'-P energy: -29.541
tors. eta vs tors. theta energy: -56.155
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: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -564.177298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.177298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.177298 (E_RNA)
where:
Base-Base interactions energy: -380.260
where: short stacking energy: -154.415
Base-Backbone interact. energy: -2.748
local terms energy: -181.169866
where:
bonds (distance) C4'-P energy: -32.905
bonds (distance) P-C4' energy: -35.952
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -43.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -431.296982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.296982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.296982 (E_RNA)
where:
Base-Base interactions energy: -267.607
where: short stacking energy: -129.937
Base-Backbone interact. energy: -0.195
local terms energy: -163.495084
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -34.612
tors. eta vs tors. theta energy: -30.435
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: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -378.766951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.766951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.766951 (E_RNA)
where:
Base-Base interactions energy: -228.353
where: short stacking energy: -112.708
Base-Backbone interact. energy: -3.278
local terms energy: -147.135473
where:
bonds (distance) C4'-P energy: -36.023
bonds (distance) P-C4' energy: -30.181
flat angles C4'-P-C4' energy: -34.562
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -27.637
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: 333
Temperature: 1.250000
Total energy: -202.918375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.918375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.918375 (E_RNA)
where:
Base-Base interactions energy: -82.731
where: short stacking energy: -75.344
Base-Backbone interact. energy: -0.307
local terms energy: -119.880157
where:
bonds (distance) C4'-P energy: -28.098
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -35.707
flat angles P-C4'-P energy: -17.628
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: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -189.730383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.730383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.730383 (E_RNA)
where:
Base-Base interactions energy: -71.071
where: short stacking energy: -40.241
Base-Backbone interact. energy: 4.734
local terms energy: -123.393399
where:
bonds (distance) C4'-P energy: -31.218
bonds (distance) P-C4' energy: -40.530
flat angles C4'-P-C4' energy: -32.227
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -156.810716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.810716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.810716 (E_RNA)
where:
Base-Base interactions energy: -70.295
where: short stacking energy: -43.257
Base-Backbone interact. energy: 2.112
local terms energy: -88.628448
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: 4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -702.594557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.594557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.594557 (E_RNA)
where:
Base-Base interactions energy: -485.826
where: short stacking energy: -190.433
Base-Backbone interact. energy: -2.454
local terms energy: -214.314336
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -42.345
flat angles C4'-P-C4' energy: -44.671
flat angles P-C4'-P energy: -30.035
tors. eta vs tors. theta energy: -58.734
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -679.088740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.088740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.088740 (E_RNA)
where:
Base-Base interactions energy: -472.862
where: short stacking energy: -183.945
Base-Backbone interact. energy: -1.380
local terms energy: -204.846553
where:
bonds (distance) C4'-P energy: -43.561
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -44.958
flat angles P-C4'-P energy: -25.969
tors. eta vs tors. theta energy: -55.381
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: 334
Temperature: 1.000000
Total energy: -652.524515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.524515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.524515 (E_RNA)
where:
Base-Base interactions energy: -445.336
where: short stacking energy: -183.656
Base-Backbone interact. energy: -2.669
local terms energy: -204.519831
where:
bonds (distance) C4'-P energy: -41.914
bonds (distance) P-C4' energy: -38.083
flat angles C4'-P-C4' energy: -45.045
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -51.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -590.012359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.012359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.012359 (E_RNA)
where:
Base-Base interactions energy: -399.483
where: short stacking energy: -177.334
Base-Backbone interact. energy: -0.558
local terms energy: -189.971081
where:
bonds (distance) C4'-P energy: -33.695
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -28.999
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: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -553.358302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.358302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.358302 (E_RNA)
where:
Base-Base interactions energy: -376.910
where: short stacking energy: -165.542
Base-Backbone interact. energy: 0.709
local terms energy: -177.157656
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -36.873
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -50.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -478.101285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.101285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.101285 (E_RNA)
where:
Base-Base interactions energy: -299.483
where: short stacking energy: -153.413
Base-Backbone interact. energy: 0.429
local terms energy: -179.047509
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -36.766
flat angles C4'-P-C4' energy: -41.814
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -38.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -345.306695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.306695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.306695 (E_RNA)
where:
Base-Base interactions energy: -189.945
where: short stacking energy: -104.055
Base-Backbone interact. energy: -1.430
local terms energy: -153.932550
where:
bonds (distance) C4'-P energy: -37.815
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -37.019
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -208.943861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.943861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.943861 (E_RNA)
where:
Base-Base interactions energy: -77.032
where: short stacking energy: -52.335
Base-Backbone interact. energy: -0.650
local terms energy: -131.261512
where:
bonds (distance) C4'-P energy: -37.255
bonds (distance) P-C4' energy: -42.154
flat angles C4'-P-C4' energy: -36.945
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: 0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -188.303023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.303023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.303023 (E_RNA)
where:
Base-Base interactions energy: -71.324
where: short stacking energy: -49.897
Base-Backbone interact. energy: -0.158
local terms energy: -116.820917
where:
bonds (distance) C4'-P energy: -30.533
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -30.900
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: 2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -185.762705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.762705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.762705 (E_RNA)
where:
Base-Base interactions energy: -65.578
where: short stacking energy: -48.622
Base-Backbone interact. energy: -0.970
local terms energy: -119.214513
where:
bonds (distance) C4'-P energy: -36.034
bonds (distance) P-C4' energy: -39.881
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: 0.079
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: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -695.112645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.112645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.112645 (E_RNA)
where:
Base-Base interactions energy: -491.119
where: short stacking energy: -183.879
Base-Backbone interact. energy: -1.096
local terms energy: -202.898029
where:
bonds (distance) C4'-P energy: -41.243
bonds (distance) P-C4' energy: -35.225
flat angles C4'-P-C4' energy: -40.548
flat angles P-C4'-P energy: -29.159
tors. eta vs tors. theta energy: -56.723
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: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -653.534577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.534577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.534577 (E_RNA)
where:
Base-Base interactions energy: -457.640
where: short stacking energy: -181.658
Base-Backbone interact. energy: 1.375
local terms energy: -197.269660
where:
bonds (distance) C4'-P energy: -39.462
bonds (distance) P-C4' energy: -34.242
flat angles C4'-P-C4' energy: -45.480
flat angles P-C4'-P energy: -25.989
tors. eta vs tors. theta energy: -52.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -647.929261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.929261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.929261 (E_RNA)
where:
Base-Base interactions energy: -442.227
where: short stacking energy: -182.115
Base-Backbone interact. energy: -0.372
local terms energy: -205.330848
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -45.298
flat angles P-C4'-P energy: -29.093
tors. eta vs tors. theta energy: -56.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -601.266052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.266052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.266052 (E_RNA)
where:
Base-Base interactions energy: -406.707
where: short stacking energy: -177.419
Base-Backbone interact. energy: 2.146
local terms energy: -196.705298
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -38.336
flat angles C4'-P-C4' energy: -46.566
flat angles P-C4'-P energy: -26.924
tors. eta vs tors. theta energy: -47.173
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: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -543.979812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.979812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.979812 (E_RNA)
where:
Base-Base interactions energy: -356.793
where: short stacking energy: -143.204
Base-Backbone interact. energy: 0.546
local terms energy: -187.732233
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -43.248
flat angles C4'-P-C4' energy: -36.393
flat angles P-C4'-P energy: -30.599
tors. eta vs tors. theta energy: -44.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -519.771457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.771457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.771457 (E_RNA)
where:
Base-Base interactions energy: -339.729
where: short stacking energy: -166.758
Base-Backbone interact. energy: -1.468
local terms energy: -178.574727
where:
bonds (distance) C4'-P energy: -41.201
bonds (distance) P-C4' energy: -32.245
flat angles C4'-P-C4' energy: -29.950
flat angles P-C4'-P energy: -28.588
tors. eta vs tors. theta energy: -46.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -393.098679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.098679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.098679 (E_RNA)
where:
Base-Base interactions energy: -227.585
where: short stacking energy: -111.195
Base-Backbone interact. energy: -0.815
local terms energy: -164.698434
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -24.712
tors. eta vs tors. theta energy: -29.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -212.990890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.990890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.990890 (E_RNA)
where:
Base-Base interactions energy: -85.782
where: short stacking energy: -68.143
Base-Backbone interact. energy: -0.327
local terms energy: -126.881756
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -36.939
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -8.358
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: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -187.253083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.253083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.253083 (E_RNA)
where:
Base-Base interactions energy: -72.450
where: short stacking energy: -43.817
Base-Backbone interact. energy: 0.589
local terms energy: -115.391899
where:
bonds (distance) C4'-P energy: -35.281
bonds (distance) P-C4' energy: -34.130
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: 0.916
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: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -167.421192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.421192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.421192 (E_RNA)
where:
Base-Base interactions energy: -57.546
where: short stacking energy: -43.622
Base-Backbone interact. energy: -1.104
local terms energy: -108.771061
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -39.903
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: 2.174
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: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -694.751275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.751275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.751275 (E_RNA)
where:
Base-Base interactions energy: -487.356
where: short stacking energy: -177.814
Base-Backbone interact. energy: -0.970
local terms energy: -206.425718
where:
bonds (distance) C4'-P energy: -44.397
bonds (distance) P-C4' energy: -36.991
flat angles C4'-P-C4' energy: -43.896
flat angles P-C4'-P energy: -30.215
tors. eta vs tors. theta energy: -50.927
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: 336
Temperature: 0.950000
Total energy: -655.742721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.742721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.742721 (E_RNA)
where:
Base-Base interactions energy: -459.487
where: short stacking energy: -179.571
Base-Backbone interact. energy: -2.213
local terms energy: -194.042837
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -37.939
flat angles C4'-P-C4' energy: -45.364
flat angles P-C4'-P energy: -28.839
tors. eta vs tors. theta energy: -51.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -647.086847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.086847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.086847 (E_RNA)
where:
Base-Base interactions energy: -437.939
where: short stacking energy: -200.835
Base-Backbone interact. energy: -0.129
local terms energy: -209.018781
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -37.505
flat angles C4'-P-C4' energy: -46.063
flat angles P-C4'-P energy: -26.829
tors. eta vs tors. theta energy: -58.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -601.353421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.353421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.353421 (E_RNA)
where:
Base-Base interactions energy: -386.867
where: short stacking energy: -173.077
Base-Backbone interact. energy: -0.209
local terms energy: -214.277554
where:
bonds (distance) C4'-P energy: -40.188
bonds (distance) P-C4' energy: -41.102
flat angles C4'-P-C4' energy: -39.217
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -59.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -553.025054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.025054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.025054 (E_RNA)
where:
Base-Base interactions energy: -366.390
where: short stacking energy: -147.757
Base-Backbone interact. energy: -1.070
local terms energy: -185.565082
where:
bonds (distance) C4'-P energy: -35.421
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -29.291
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -454.654320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.654320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.654320 (E_RNA)
where:
Base-Base interactions energy: -272.494
where: short stacking energy: -136.019
Base-Backbone interact. energy: -2.117
local terms energy: -180.043212
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -34.090
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -31.179
tors. eta vs tors. theta energy: -42.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -408.467983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.467983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.467983 (E_RNA)
where:
Base-Base interactions energy: -257.352
where: short stacking energy: -125.617
Base-Backbone interact. energy: -1.783
local terms energy: -149.332507
where:
bonds (distance) C4'-P energy: -29.668
bonds (distance) P-C4' energy: -38.907
flat angles C4'-P-C4' energy: -30.092
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -26.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -222.352469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.352469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.352469 (E_RNA)
where:
Base-Base interactions energy: -94.730
where: short stacking energy: -75.292
Base-Backbone interact. energy: 0.770
local terms energy: -128.392211
where:
bonds (distance) C4'-P energy: -36.680
bonds (distance) P-C4' energy: -39.694
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -19.050
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: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -191.434759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.434759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.434759 (E_RNA)
where:
Base-Base interactions energy: -60.569
where: short stacking energy: -43.271
Base-Backbone interact. energy: -0.098
local terms energy: -130.767449
where:
bonds (distance) C4'-P energy: -37.040
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -37.821
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -184.481622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.481622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.481622 (E_RNA)
where:
Base-Base interactions energy: -66.880
where: short stacking energy: -51.574
Base-Backbone interact. energy: 5.831
local terms energy: -123.432732
where:
bonds (distance) C4'-P energy: -35.225
bonds (distance) P-C4' energy: -41.721
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -691.396687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.396687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.396687 (E_RNA)
where:
Base-Base interactions energy: -496.113
where: short stacking energy: -175.877
Base-Backbone interact. energy: -0.789
local terms energy: -194.495297
where:
bonds (distance) C4'-P energy: -36.616
bonds (distance) P-C4' energy: -40.332
flat angles C4'-P-C4' energy: -45.462
flat angles P-C4'-P energy: -27.774
tors. eta vs tors. theta energy: -44.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -642.907174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.907174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.907174 (E_RNA)
where:
Base-Base interactions energy: -455.728
where: short stacking energy: -179.819
Base-Backbone interact. energy: 2.165
local terms energy: -189.343524
where:
bonds (distance) C4'-P energy: -43.792
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -41.073
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: -44.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -663.906712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.906712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.906712 (E_RNA)
where:
Base-Base interactions energy: -452.972
where: short stacking energy: -192.870
Base-Backbone interact. energy: -1.314
local terms energy: -209.620718
where:
bonds (distance) C4'-P energy: -34.677
bonds (distance) P-C4' energy: -41.195
flat angles C4'-P-C4' energy: -42.264
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -61.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -600.863086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.863086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.863086 (E_RNA)
where:
Base-Base interactions energy: -395.533
where: short stacking energy: -181.762
Base-Backbone interact. energy: -1.185
local terms energy: -204.145050
where:
bonds (distance) C4'-P energy: -37.278
bonds (distance) P-C4' energy: -37.986
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -52.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -548.924917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.924917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.924917 (E_RNA)
where:
Base-Base interactions energy: -353.368
where: short stacking energy: -150.239
Base-Backbone interact. energy: -0.472
local terms energy: -195.084202
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -43.873
flat angles C4'-P-C4' energy: -46.138
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -43.602
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: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -427.953846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.953846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.953846 (E_RNA)
where:
Base-Base interactions energy: -250.424
where: short stacking energy: -130.538
Base-Backbone interact. energy: -0.341
local terms energy: -177.188980
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -35.931
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -41.537
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: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -380.175017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.175017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.175017 (E_RNA)
where:
Base-Base interactions energy: -236.829
where: short stacking energy: -96.706
Base-Backbone interact. energy: -2.927
local terms energy: -140.419084
where:
bonds (distance) C4'-P energy: -34.260
bonds (distance) P-C4' energy: -37.034
flat angles C4'-P-C4' energy: -27.286
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -274.484036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.484036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.484036 (E_RNA)
where:
Base-Base interactions energy: -155.744
where: short stacking energy: -76.467
Base-Backbone interact. energy: -0.958
local terms energy: -117.782375
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -31.360
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -13.826
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: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -193.159769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.159769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.159769 (E_RNA)
where:
Base-Base interactions energy: -73.138
where: short stacking energy: -44.669
Base-Backbone interact. energy: 0.607
local terms energy: -120.628235
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -36.395
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -25.770
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: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -171.414460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.414460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.414460 (E_RNA)
where:
Base-Base interactions energy: -62.559
where: short stacking energy: -51.385
Base-Backbone interact. energy: -0.782
local terms energy: -108.073942
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -38.409
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: 4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -707.511230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.511230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.511230 (E_RNA)
where:
Base-Base interactions energy: -499.730
where: short stacking energy: -195.304
Base-Backbone interact. energy: -1.918
local terms energy: -205.863140
where:
bonds (distance) C4'-P energy: -40.632
bonds (distance) P-C4' energy: -41.824
flat angles C4'-P-C4' energy: -40.286
flat angles P-C4'-P energy: -33.897
tors. eta vs tors. theta energy: -49.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -652.221576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.221576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.221576 (E_RNA)
where:
Base-Base interactions energy: -456.800
where: short stacking energy: -178.907
Base-Backbone interact. energy: -1.049
local terms energy: -194.372574
where:
bonds (distance) C4'-P energy: -41.402
bonds (distance) P-C4' energy: -40.605
flat angles C4'-P-C4' energy: -39.385
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -42.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -677.185884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.185884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.185884 (E_RNA)
where:
Base-Base interactions energy: -458.082
where: short stacking energy: -186.707
Base-Backbone interact. energy: -1.675
local terms energy: -217.429174
where:
bonds (distance) C4'-P energy: -42.864
bonds (distance) P-C4' energy: -46.276
flat angles C4'-P-C4' energy: -46.284
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: -56.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -607.296155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.296155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.296155 (E_RNA)
where:
Base-Base interactions energy: -411.482
where: short stacking energy: -185.184
Base-Backbone interact. energy: -0.452
local terms energy: -195.362284
where:
bonds (distance) C4'-P energy: -33.965
bonds (distance) P-C4' energy: -30.901
flat angles C4'-P-C4' energy: -45.560
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -58.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -535.408817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.408817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.408817 (E_RNA)
where:
Base-Base interactions energy: -348.482
where: short stacking energy: -153.722
Base-Backbone interact. energy: -1.566
local terms energy: -185.361007
where:
bonds (distance) C4'-P energy: -39.761
bonds (distance) P-C4' energy: -38.019
flat angles C4'-P-C4' energy: -36.307
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: -44.843
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: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -430.620891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.620891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.620891 (E_RNA)
where:
Base-Base interactions energy: -267.429
where: short stacking energy: -118.020
Base-Backbone interact. energy: -1.790
local terms energy: -161.402829
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -43.260
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -30.326
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: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -379.509637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.509637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.509637 (E_RNA)
where:
Base-Base interactions energy: -227.461
where: short stacking energy: -89.347
Base-Backbone interact. energy: 0.184
local terms energy: -152.232251
where:
bonds (distance) C4'-P energy: -36.338
bonds (distance) P-C4' energy: -37.439
flat angles C4'-P-C4' energy: -43.683
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -253.665863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.665863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.665863 (E_RNA)
where:
Base-Base interactions energy: -132.291
where: short stacking energy: -62.763
Base-Backbone interact. energy: 0.762
local terms energy: -122.136749
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -34.655
flat angles C4'-P-C4' energy: -35.169
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -3.477
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: 338
Temperature: 1.300000
Total energy: -177.734328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.734328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.734328 (E_RNA)
where:
Base-Base interactions energy: -61.713
where: short stacking energy: -29.649
Base-Backbone interact. energy: 1.826
local terms energy: -117.847085
where:
bonds (distance) C4'-P energy: -33.219
bonds (distance) P-C4' energy: -42.681
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: 16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -185.106873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.106873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.106873 (E_RNA)
where:
Base-Base interactions energy: -63.882
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.940
local terms energy: -120.284798
where:
bonds (distance) C4'-P energy: -38.048
bonds (distance) P-C4' energy: -42.714
flat angles C4'-P-C4' energy: -30.113
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: 6.217
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: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -680.603153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.603153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.603153 (E_RNA)
where:
Base-Base interactions energy: -465.215
where: short stacking energy: -185.200
Base-Backbone interact. energy: -0.460
local terms energy: -214.927881
where:
bonds (distance) C4'-P energy: -38.112
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -46.716
flat angles P-C4'-P energy: -33.343
tors. eta vs tors. theta energy: -57.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -687.674227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.674227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.674227 (E_RNA)
where:
Base-Base interactions energy: -472.931
where: short stacking energy: -205.375
Base-Backbone interact. energy: 0.549
local terms energy: -215.292087
where:
bonds (distance) C4'-P energy: -38.233
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -45.750
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: -59.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -641.583371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.583371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.583371 (E_RNA)
where:
Base-Base interactions energy: -465.163
where: short stacking energy: -180.813
Base-Backbone interact. energy: 0.953
local terms energy: -177.374068
where:
bonds (distance) C4'-P energy: -30.896
bonds (distance) P-C4' energy: -32.534
flat angles C4'-P-C4' energy: -36.849
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -52.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -604.718250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.718250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.718250 (E_RNA)
where:
Base-Base interactions energy: -408.092
where: short stacking energy: -170.297
Base-Backbone interact. energy: -0.826
local terms energy: -195.799719
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -36.469
flat angles C4'-P-C4' energy: -41.198
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -54.254
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: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -524.962350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.962350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.962350 (E_RNA)
where:
Base-Base interactions energy: -330.078
where: short stacking energy: -146.201
Base-Backbone interact. energy: -0.347
local terms energy: -194.538190
where:
bonds (distance) C4'-P energy: -38.596
bonds (distance) P-C4' energy: -41.939
flat angles C4'-P-C4' energy: -38.736
flat angles P-C4'-P energy: -26.144
tors. eta vs tors. theta energy: -49.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -389.572701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.572701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.572701 (E_RNA)
where:
Base-Base interactions energy: -233.429
where: short stacking energy: -99.130
Base-Backbone interact. energy: -0.548
local terms energy: -155.596125
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -33.406
flat angles C4'-P-C4' energy: -35.462
flat angles P-C4'-P energy: -30.298
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -400.041638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.041638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.041638 (E_RNA)
where:
Base-Base interactions energy: -251.690
where: short stacking energy: -126.929
Base-Backbone interact. energy: -0.122
local terms energy: -148.229785
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -39.842
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -35.910
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: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -256.124430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.124430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.124430 (E_RNA)
where:
Base-Base interactions energy: -141.347
where: short stacking energy: -73.677
Base-Backbone interact. energy: -0.588
local terms energy: -114.190007
where:
bonds (distance) C4'-P energy: -35.049
bonds (distance) P-C4' energy: -36.850
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -12.647
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: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -215.013031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.013031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.013031 (E_RNA)
where:
Base-Base interactions energy: -90.888
where: short stacking energy: -53.402
Base-Backbone interact. energy: 0.690
local terms energy: -124.815316
where:
bonds (distance) C4'-P energy: -38.798
bonds (distance) P-C4' energy: -33.482
flat angles C4'-P-C4' energy: -27.679
flat angles P-C4'-P energy: -29.741
tors. eta vs tors. theta energy: 4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -170.902983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.902983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.902983 (E_RNA)
where:
Base-Base interactions energy: -65.117
where: short stacking energy: -42.914
Base-Backbone interact. energy: -0.340
local terms energy: -105.445383
where:
bonds (distance) C4'-P energy: -30.710
bonds (distance) P-C4' energy: -40.923
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -691.866464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.866464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.866464 (E_RNA)
where:
Base-Base interactions energy: -483.428
where: short stacking energy: -188.078
Base-Backbone interact. energy: -0.275
local terms energy: -208.163269
where:
bonds (distance) C4'-P energy: -39.548
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -41.548
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -59.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -687.397766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.397766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.397766 (E_RNA)
where:
Base-Base interactions energy: -477.199
where: short stacking energy: -197.155
Base-Backbone interact. energy: -1.210
local terms energy: -208.988958
where:
bonds (distance) C4'-P energy: -39.978
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -43.765
flat angles P-C4'-P energy: -25.045
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -634.079815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.079815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.079815 (E_RNA)
where:
Base-Base interactions energy: -444.241
where: short stacking energy: -174.657
Base-Backbone interact. energy: -2.024
local terms energy: -187.814982
where:
bonds (distance) C4'-P energy: -36.173
bonds (distance) P-C4' energy: -35.514
flat angles C4'-P-C4' energy: -43.433
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -48.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -606.958119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.958119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.958119 (E_RNA)
where:
Base-Base interactions energy: -407.601
where: short stacking energy: -180.250
Base-Backbone interact. energy: 0.615
local terms energy: -199.971399
where:
bonds (distance) C4'-P energy: -38.515
bonds (distance) P-C4' energy: -34.743
flat angles C4'-P-C4' energy: -43.732
flat angles P-C4'-P energy: -28.432
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: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -563.046217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.046217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.046217 (E_RNA)
where:
Base-Base interactions energy: -370.871
where: short stacking energy: -151.427
Base-Backbone interact. energy: -2.212
local terms energy: -189.963074
where:
bonds (distance) C4'-P energy: -34.842
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -42.234
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -50.773
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: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -366.032969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.032969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.032969 (E_RNA)
where:
Base-Base interactions energy: -220.006
where: short stacking energy: -97.954
Base-Backbone interact. energy: -0.528
local terms energy: -145.498444
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -36.165
flat angles C4'-P-C4' energy: -40.175
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -10.341
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: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -416.555827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.555827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.555827 (E_RNA)
where:
Base-Base interactions energy: -271.946
where: short stacking energy: -119.134
Base-Backbone interact. energy: -0.964
local terms energy: -143.645798
where:
bonds (distance) C4'-P energy: -31.746
bonds (distance) P-C4' energy: -37.344
flat angles C4'-P-C4' energy: -30.405
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -20.438
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: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -229.447713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.447713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.447713 (E_RNA)
where:
Base-Base interactions energy: -105.212
where: short stacking energy: -68.645
Base-Backbone interact. energy: 0.870
local terms energy: -125.105654
where:
bonds (distance) C4'-P energy: -37.931
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -184.311391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.311391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.311391 (E_RNA)
where:
Base-Base interactions energy: -74.475
where: short stacking energy: -57.577
Base-Backbone interact. energy: -0.866
local terms energy: -108.970205
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -39.482
flat angles C4'-P-C4' energy: -38.237
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: 4.969
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: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -175.702727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.702727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.702727 (E_RNA)
where:
Base-Base interactions energy: -66.019
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.400
local terms energy: -109.283187
where:
bonds (distance) C4'-P energy: -38.167
bonds (distance) P-C4' energy: -25.630
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -19.247
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: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -681.739112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.739112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.739112 (E_RNA)
where:
Base-Base interactions energy: -480.349
where: short stacking energy: -186.119
Base-Backbone interact. energy: -0.748
local terms energy: -200.642340
where:
bonds (distance) C4'-P energy: -37.874
bonds (distance) P-C4' energy: -37.037
flat angles C4'-P-C4' energy: -40.676
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -57.509
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: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -676.324364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.324364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.324364 (E_RNA)
where:
Base-Base interactions energy: -475.238
where: short stacking energy: -208.002
Base-Backbone interact. energy: -0.817
local terms energy: -200.270070
where:
bonds (distance) C4'-P energy: -37.356
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -40.831
flat angles P-C4'-P energy: -28.015
tors. eta vs tors. theta energy: -55.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -631.932774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.932774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.932774 (E_RNA)
where:
Base-Base interactions energy: -450.881
where: short stacking energy: -184.854
Base-Backbone interact. energy: -1.299
local terms energy: -179.753089
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -53.368
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: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -601.346835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.346835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.346835 (E_RNA)
where:
Base-Base interactions energy: -398.553
where: short stacking energy: -185.376
Base-Backbone interact. energy: -1.136
local terms energy: -201.658092
where:
bonds (distance) C4'-P energy: -37.745
bonds (distance) P-C4' energy: -41.403
flat angles C4'-P-C4' energy: -43.070
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -55.280
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: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -558.028860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.028860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.028860 (E_RNA)
where:
Base-Base interactions energy: -375.783
where: short stacking energy: -151.027
Base-Backbone interact. energy: -0.848
local terms energy: -181.397762
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -39.849
flat angles C4'-P-C4' energy: -43.175
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -41.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -507.427402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.427402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.427402 (E_RNA)
where:
Base-Base interactions energy: -327.685
where: short stacking energy: -159.522
Base-Backbone interact. energy: -1.154
local terms energy: -178.588100
where:
bonds (distance) C4'-P energy: -41.682
bonds (distance) P-C4' energy: -36.512
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -25.709
tors. eta vs tors. theta energy: -44.449
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: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -344.860264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.860264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.860264 (E_RNA)
where:
Base-Base interactions energy: -198.089
where: short stacking energy: -89.143
Base-Backbone interact. energy: -0.463
local terms energy: -146.308590
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -36.657
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -219.965831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.965831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.965831 (E_RNA)
where:
Base-Base interactions energy: -91.116
where: short stacking energy: -59.694
Base-Backbone interact. energy: -1.586
local terms energy: -127.263684
where:
bonds (distance) C4'-P energy: -35.302
bonds (distance) P-C4' energy: -35.279
flat angles C4'-P-C4' energy: -31.318
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -180.772429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.772429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.772429 (E_RNA)
where:
Base-Base interactions energy: -68.177
where: short stacking energy: -46.947
Base-Backbone interact. energy: -1.220
local terms energy: -111.376374
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -37.780
flat angles C4'-P-C4' energy: -29.096
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: 5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -183.724316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.724316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.724316 (E_RNA)
where:
Base-Base interactions energy: -67.554
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.521
local terms energy: -115.649310
where:
bonds (distance) C4'-P energy: -41.049
bonds (distance) P-C4' energy: -34.382
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: 6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -682.919187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.919187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.919187 (E_RNA)
where:
Base-Base interactions energy: -471.586
where: short stacking energy: -187.165
Base-Backbone interact. energy: -1.005
local terms energy: -210.328234
where:
bonds (distance) C4'-P energy: -40.002
bonds (distance) P-C4' energy: -40.499
flat angles C4'-P-C4' energy: -44.467
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -54.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -686.295291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.295291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.295291 (E_RNA)
where:
Base-Base interactions energy: -469.332
where: short stacking energy: -203.120
Base-Backbone interact. energy: -1.098
local terms energy: -215.865402
where:
bonds (distance) C4'-P energy: -45.856
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -38.509
flat angles P-C4'-P energy: -27.590
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: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -634.042844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.042844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.042844 (E_RNA)
where:
Base-Base interactions energy: -442.357
where: short stacking energy: -180.056
Base-Backbone interact. energy: -0.505
local terms energy: -191.180936
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -41.786
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -55.482
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: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -595.889222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.889222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.889222 (E_RNA)
where:
Base-Base interactions energy: -402.333
where: short stacking energy: -174.076
Base-Backbone interact. energy: 0.108
local terms energy: -193.663983
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -36.080
flat angles C4'-P-C4' energy: -47.267
flat angles P-C4'-P energy: -28.543
tors. eta vs tors. theta energy: -55.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -490.022381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.022381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.022381 (E_RNA)
where:
Base-Base interactions energy: -309.245
where: short stacking energy: -138.666
Base-Backbone interact. energy: -0.341
local terms energy: -180.436925
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -39.995
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -49.716
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: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -518.607658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.607658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.607658 (E_RNA)
where:
Base-Base interactions energy: -336.704
where: short stacking energy: -150.522
Base-Backbone interact. energy: -1.490
local terms energy: -180.413870
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -35.795
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -41.136
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: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -308.697568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.697568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.697568 (E_RNA)
where:
Base-Base interactions energy: -179.655
where: short stacking energy: -74.495
Base-Backbone interact. energy: -0.442
local terms energy: -128.600997
where:
bonds (distance) C4'-P energy: -39.129
bonds (distance) P-C4' energy: -36.135
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -196.439698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.439698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.439698 (E_RNA)
where:
Base-Base interactions energy: -80.009
where: short stacking energy: -64.824
Base-Backbone interact. energy: 2.698
local terms energy: -119.129080
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -43.952
flat angles C4'-P-C4' energy: -35.137
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: 3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -176.672204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.672204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.672204 (E_RNA)
where:
Base-Base interactions energy: -53.812
where: short stacking energy: -51.335
Base-Backbone interact. energy: 0.412
local terms energy: -123.272398
where:
bonds (distance) C4'-P energy: -36.694
bonds (distance) P-C4' energy: -33.829
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -179.851841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.851841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.851841 (E_RNA)
where:
Base-Base interactions energy: -79.633
where: short stacking energy: -63.807
Base-Backbone interact. energy: 1.987
local terms energy: -102.204995
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -29.260
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -695.457073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.457073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.457073 (E_RNA)
where:
Base-Base interactions energy: -483.393
where: short stacking energy: -185.892
Base-Backbone interact. energy: 0.833
local terms energy: -212.897224
where:
bonds (distance) C4'-P energy: -42.421
bonds (distance) P-C4' energy: -46.887
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -33.685
tors. eta vs tors. theta energy: -52.405
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: 343
Temperature: 0.950000
Total energy: -626.703760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.703760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.703760 (E_RNA)
where:
Base-Base interactions energy: -438.113
where: short stacking energy: -159.736
Base-Backbone interact. energy: -0.855
local terms energy: -187.736584
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -43.183
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -47.477
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: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -678.785858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.785858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.785858 (E_RNA)
where:
Base-Base interactions energy: -461.734
where: short stacking energy: -188.476
Base-Backbone interact. energy: -0.230
local terms energy: -216.821875
where:
bonds (distance) C4'-P energy: -45.887
bonds (distance) P-C4' energy: -36.957
flat angles C4'-P-C4' energy: -47.598
flat angles P-C4'-P energy: -28.173
tors. eta vs tors. theta energy: -58.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -622.144078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.144078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.144078 (E_RNA)
where:
Base-Base interactions energy: -404.237
where: short stacking energy: -186.582
Base-Backbone interact. energy: -0.676
local terms energy: -217.230655
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -47.097
flat angles C4'-P-C4' energy: -44.902
flat angles P-C4'-P energy: -28.375
tors. eta vs tors. theta energy: -60.553
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: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -486.058256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.058256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.058256 (E_RNA)
where:
Base-Base interactions energy: -294.414
where: short stacking energy: -137.323
Base-Backbone interact. energy: -1.077
local terms energy: -190.566993
where:
bonds (distance) C4'-P energy: -37.218
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -46.467
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -47.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -473.228282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.228282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.228282 (E_RNA)
where:
Base-Base interactions energy: -298.976
where: short stacking energy: -125.080
Base-Backbone interact. energy: -0.362
local terms energy: -173.890024
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -33.504
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -33.893
tors. eta vs tors. theta energy: -35.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -302.747195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.747195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.747195 (E_RNA)
where:
Base-Base interactions energy: -163.508
where: short stacking energy: -99.789
Base-Backbone interact. energy: -0.486
local terms energy: -138.753426
where:
bonds (distance) C4'-P energy: -37.024
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -32.959
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -199.053159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.053159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.053159 (E_RNA)
where:
Base-Base interactions energy: -78.300
where: short stacking energy: -62.799
Base-Backbone interact. energy: -0.975
local terms energy: -119.778748
where:
bonds (distance) C4'-P energy: -31.688
bonds (distance) P-C4' energy: -38.316
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -6.313
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: 343
Temperature: 1.300000
Total energy: -177.307309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.307309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.307309 (E_RNA)
where:
Base-Base interactions energy: -55.270
where: short stacking energy: -41.973
Base-Backbone interact. energy: -1.021
local terms energy: -121.016312
where:
bonds (distance) C4'-P energy: -38.376
bonds (distance) P-C4' energy: -42.247
flat angles C4'-P-C4' energy: -28.514
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: 5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -218.152593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.152593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.152593 (E_RNA)
where:
Base-Base interactions energy: -102.678
where: short stacking energy: -64.809
Base-Backbone interact. energy: -2.251
local terms energy: -113.223798
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -678.549945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.549945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.549945 (E_RNA)
where:
Base-Base interactions energy: -473.054
where: short stacking energy: -179.818
Base-Backbone interact. energy: 0.982
local terms energy: -206.478362
where:
bonds (distance) C4'-P energy: -38.192
bonds (distance) P-C4' energy: -41.664
flat angles C4'-P-C4' energy: -41.038
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: -55.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -638.371244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.371244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.371244 (E_RNA)
where:
Base-Base interactions energy: -429.224
where: short stacking energy: -166.666
Base-Backbone interact. energy: -1.923
local terms energy: -207.224900
where:
bonds (distance) C4'-P energy: -34.224
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -32.785
tors. eta vs tors. theta energy: -52.727
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: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -656.841017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.841017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.841017 (E_RNA)
where:
Base-Base interactions energy: -449.408
where: short stacking energy: -186.730
Base-Backbone interact. energy: -0.909
local terms energy: -206.524206
where:
bonds (distance) C4'-P energy: -35.530
bonds (distance) P-C4' energy: -39.550
flat angles C4'-P-C4' energy: -44.051
flat angles P-C4'-P energy: -28.444
tors. eta vs tors. theta energy: -58.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -593.153287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.153287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.153287 (E_RNA)
where:
Base-Base interactions energy: -405.086
where: short stacking energy: -176.308
Base-Backbone interact. energy: 1.024
local terms energy: -189.091131
where:
bonds (distance) C4'-P energy: -33.906
bonds (distance) P-C4' energy: -42.137
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -28.021
tors. eta vs tors. theta energy: -47.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -494.349043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.349043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.349043 (E_RNA)
where:
Base-Base interactions energy: -310.200
where: short stacking energy: -167.748
Base-Backbone interact. energy: -0.309
local terms energy: -183.839595
where:
bonds (distance) C4'-P energy: -35.265
bonds (distance) P-C4' energy: -43.523
flat angles C4'-P-C4' energy: -36.373
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -43.565
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: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -524.548492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.548492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.548492 (E_RNA)
where:
Base-Base interactions energy: -351.030
where: short stacking energy: -146.483
Base-Backbone interact. energy: -1.653
local terms energy: -171.865451
where:
bonds (distance) C4'-P energy: -29.666
bonds (distance) P-C4' energy: -35.410
flat angles C4'-P-C4' energy: -42.008
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -323.431355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.431355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.431355 (E_RNA)
where:
Base-Base interactions energy: -189.867
where: short stacking energy: -102.979
Base-Backbone interact. energy: 0.644
local terms energy: -134.208995
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -234.260014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.260014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.260014 (E_RNA)
where:
Base-Base interactions energy: -92.950
where: short stacking energy: -73.308
Base-Backbone interact. energy: -0.877
local terms energy: -140.433000
where:
bonds (distance) C4'-P energy: -37.745
bonds (distance) P-C4' energy: -37.003
flat angles C4'-P-C4' energy: -37.822
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -185.201540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.201540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.201540 (E_RNA)
where:
Base-Base interactions energy: -54.320
where: short stacking energy: -50.080
Base-Backbone interact. energy: -0.878
local terms energy: -130.003619
where:
bonds (distance) C4'-P energy: -42.083
bonds (distance) P-C4' energy: -40.166
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -24.998
tors. eta vs tors. theta energy: 3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -161.894480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.894480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.894480 (E_RNA)
where:
Base-Base interactions energy: -50.857
where: short stacking energy: -34.368
Base-Backbone interact. energy: -1.828
local terms energy: -109.209606
where:
bonds (distance) C4'-P energy: -33.368
bonds (distance) P-C4' energy: -34.421
flat angles C4'-P-C4' energy: -32.664
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: 11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -686.058978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.058978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.058978 (E_RNA)
where:
Base-Base interactions energy: -473.167
where: short stacking energy: -188.372
Base-Backbone interact. energy: -1.263
local terms energy: -211.629060
where:
bonds (distance) C4'-P energy: -38.769
bonds (distance) P-C4' energy: -41.278
flat angles C4'-P-C4' energy: -44.909
flat angles P-C4'-P energy: -30.752
tors. eta vs tors. theta energy: -55.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -658.911770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.911770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.911770 (E_RNA)
where:
Base-Base interactions energy: -448.697
where: short stacking energy: -177.831
Base-Backbone interact. energy: -1.198
local terms energy: -209.016862
where:
bonds (distance) C4'-P energy: -38.659
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -48.454
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -59.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -646.171712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.171712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.171712 (E_RNA)
where:
Base-Base interactions energy: -440.302
where: short stacking energy: -182.793
Base-Backbone interact. energy: -1.103
local terms energy: -204.766626
where:
bonds (distance) C4'-P energy: -37.603
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -49.743
flat angles P-C4'-P energy: -25.791
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: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -590.850803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.850803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.850803 (E_RNA)
where:
Base-Base interactions energy: -392.750
where: short stacking energy: -172.109
Base-Backbone interact. energy: -0.527
local terms energy: -197.573143
where:
bonds (distance) C4'-P energy: -34.839
bonds (distance) P-C4' energy: -43.574
flat angles C4'-P-C4' energy: -41.670
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -52.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -504.225534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.225534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.225534 (E_RNA)
where:
Base-Base interactions energy: -313.797
where: short stacking energy: -164.531
Base-Backbone interact. energy: -0.813
local terms energy: -189.615094
where:
bonds (distance) C4'-P energy: -32.479
bonds (distance) P-C4' energy: -40.497
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -25.958
tors. eta vs tors. theta energy: -47.548
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: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -476.093743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.093743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.093743 (E_RNA)
where:
Base-Base interactions energy: -314.796
where: short stacking energy: -137.419
Base-Backbone interact. energy: -2.097
local terms energy: -159.201068
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -37.990
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -32.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -298.024294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.024294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.024294 (E_RNA)
where:
Base-Base interactions energy: -171.304
where: short stacking energy: -103.745
Base-Backbone interact. energy: 0.405
local terms energy: -127.125688
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -36.442
flat angles C4'-P-C4' energy: -32.614
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -206.389791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.389791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.389791 (E_RNA)
where:
Base-Base interactions energy: -86.786
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.422
local terms energy: -119.181367
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: 5.218
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: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -193.686996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.686996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.686996 (E_RNA)
where:
Base-Base interactions energy: -77.954
where: short stacking energy: -51.219
Base-Backbone interact. energy: -0.821
local terms energy: -114.912376
where:
bonds (distance) C4'-P energy: -32.198
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -35.211
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: 10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -176.609293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.609293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.609293 (E_RNA)
where:
Base-Base interactions energy: -64.142
where: short stacking energy: -43.909
Base-Backbone interact. energy: -1.157
local terms energy: -111.309516
where:
bonds (distance) C4'-P energy: -33.759
bonds (distance) P-C4' energy: -34.377
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: 7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -687.016950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.016950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.016950 (E_RNA)
where:
Base-Base interactions energy: -474.623
where: short stacking energy: -186.047
Base-Backbone interact. energy: -0.700
local terms energy: -211.693285
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -38.284
flat angles C4'-P-C4' energy: -47.001
flat angles P-C4'-P energy: -27.804
tors. eta vs tors. theta energy: -59.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -679.416476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.416476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.416476 (E_RNA)
where:
Base-Base interactions energy: -480.735
where: short stacking energy: -194.455
Base-Backbone interact. energy: -1.763
local terms energy: -196.918015
where:
bonds (distance) C4'-P energy: -41.487
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -42.970
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -58.197
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: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -662.476954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.476954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.476954 (E_RNA)
where:
Base-Base interactions energy: -449.989
where: short stacking energy: -192.706
Base-Backbone interact. energy: -1.261
local terms energy: -211.226915
where:
bonds (distance) C4'-P energy: -39.913
bonds (distance) P-C4' energy: -39.807
flat angles C4'-P-C4' energy: -42.711
flat angles P-C4'-P energy: -31.295
tors. eta vs tors. theta energy: -57.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -597.285627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.285627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.285627 (E_RNA)
where:
Base-Base interactions energy: -399.576
where: short stacking energy: -184.073
Base-Backbone interact. energy: -1.173
local terms energy: -196.536703
where:
bonds (distance) C4'-P energy: -36.486
bonds (distance) P-C4' energy: -41.519
flat angles C4'-P-C4' energy: -43.026
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -57.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -541.205412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.205412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.205412 (E_RNA)
where:
Base-Base interactions energy: -360.732
where: short stacking energy: -152.673
Base-Backbone interact. energy: 0.842
local terms energy: -181.315454
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -43.178
flat angles P-C4'-P energy: -30.709
tors. eta vs tors. theta energy: -43.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -495.430962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.430962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.430962 (E_RNA)
where:
Base-Base interactions energy: -315.201
where: short stacking energy: -163.305
Base-Backbone interact. energy: 0.231
local terms energy: -180.460440
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -44.943
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -53.886
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: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -303.880021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.880021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.880021 (E_RNA)
where:
Base-Base interactions energy: -151.451
where: short stacking energy: -68.818
Base-Backbone interact. energy: 0.282
local terms energy: -152.711260
where:
bonds (distance) C4'-P energy: -38.184
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -43.996
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -230.671283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.671283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.671283 (E_RNA)
where:
Base-Base interactions energy: -94.736
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.359
local terms energy: -135.576803
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -39.802
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -189.099227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.099227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.099227 (E_RNA)
where:
Base-Base interactions energy: -75.227
where: short stacking energy: -55.664
Base-Backbone interact. energy: -1.894
local terms energy: -111.978730
where:
bonds (distance) C4'-P energy: -32.405
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -33.469
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: 1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -181.405545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.405545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.405545 (E_RNA)
where:
Base-Base interactions energy: -71.913
where: short stacking energy: -42.744
Base-Backbone interact. energy: -2.051
local terms energy: -107.441580
where:
bonds (distance) C4'-P energy: -40.324
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: 2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -697.683788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.683788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.683788 (E_RNA)
where:
Base-Base interactions energy: -485.292
where: short stacking energy: -176.649
Base-Backbone interact. energy: -1.360
local terms energy: -211.030896
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -40.353
flat angles C4'-P-C4' energy: -43.665
flat angles P-C4'-P energy: -26.987
tors. eta vs tors. theta energy: -55.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -675.021405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.021405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.021405 (E_RNA)
where:
Base-Base interactions energy: -476.783
where: short stacking energy: -191.748
Base-Backbone interact. energy: -0.501
local terms energy: -197.736505
where:
bonds (distance) C4'-P energy: -38.073
bonds (distance) P-C4' energy: -41.553
flat angles C4'-P-C4' energy: -36.397
flat angles P-C4'-P energy: -26.140
tors. eta vs tors. theta energy: -55.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -679.808957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.808957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.808957 (E_RNA)
where:
Base-Base interactions energy: -457.962
where: short stacking energy: -191.800
Base-Backbone interact. energy: -1.201
local terms energy: -220.646249
where:
bonds (distance) C4'-P energy: -41.604
bonds (distance) P-C4' energy: -40.945
flat angles C4'-P-C4' energy: -44.129
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -60.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -591.012396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.012396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.012396 (E_RNA)
where:
Base-Base interactions energy: -385.767
where: short stacking energy: -176.938
Base-Backbone interact. energy: -1.005
local terms energy: -204.240468
where:
bonds (distance) C4'-P energy: -38.361
bonds (distance) P-C4' energy: -40.737
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -31.173
tors. eta vs tors. theta energy: -55.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -532.932138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.932138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.932138 (E_RNA)
where:
Base-Base interactions energy: -353.035
where: short stacking energy: -158.714
Base-Backbone interact. energy: -0.116
local terms energy: -179.780463
where:
bonds (distance) C4'-P energy: -36.888
bonds (distance) P-C4' energy: -34.459
flat angles C4'-P-C4' energy: -40.536
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -43.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -486.048658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.048658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.048658 (E_RNA)
where:
Base-Base interactions energy: -299.575
where: short stacking energy: -145.505
Base-Backbone interact. energy: -0.721
local terms energy: -185.752841
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -36.564
flat angles C4'-P-C4' energy: -44.928
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -47.290
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: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -317.244498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.244498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.244498 (E_RNA)
where:
Base-Base interactions energy: -161.601
where: short stacking energy: -93.719
Base-Backbone interact. energy: -1.518
local terms energy: -154.126043
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -41.938
flat angles C4'-P-C4' energy: -33.536
flat angles P-C4'-P energy: -22.384
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -191.613707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.613707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.613707 (E_RNA)
where:
Base-Base interactions energy: -71.822
where: short stacking energy: -53.992
Base-Backbone interact. energy: -2.290
local terms energy: -117.502245
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -36.183
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -211.502202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.502202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.502202 (E_RNA)
where:
Base-Base interactions energy: -90.177
where: short stacking energy: -52.848
Base-Backbone interact. energy: -0.469
local terms energy: -120.856756
where:
bonds (distance) C4'-P energy: -41.120
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -30.099
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: 2.339
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: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -168.163672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.163672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.163672 (E_RNA)
where:
Base-Base interactions energy: -63.111
where: short stacking energy: -59.822
Base-Backbone interact. energy: -0.456
local terms energy: -104.596142
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -30.746
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: 3.475
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: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -701.668254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.668254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.668254 (E_RNA)
where:
Base-Base interactions energy: -483.952
where: short stacking energy: -186.602
Base-Backbone interact. energy: -1.142
local terms energy: -216.574276
where:
bonds (distance) C4'-P energy: -37.156
bonds (distance) P-C4' energy: -46.001
flat angles C4'-P-C4' energy: -47.039
flat angles P-C4'-P energy: -30.271
tors. eta vs tors. theta energy: -56.109
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: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -672.157852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.157852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.157852 (E_RNA)
where:
Base-Base interactions energy: -472.557
where: short stacking energy: -192.604
Base-Backbone interact. energy: -2.134
local terms energy: -197.467494
where:
bonds (distance) C4'-P energy: -37.926
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -40.543
flat angles P-C4'-P energy: -25.412
tors. eta vs tors. theta energy: -56.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -593.318883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.318883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.318883 (E_RNA)
where:
Base-Base interactions energy: -393.206
where: short stacking energy: -167.836
Base-Backbone interact. energy: -0.311
local terms energy: -199.801996
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -38.592
flat angles C4'-P-C4' energy: -43.839
flat angles P-C4'-P energy: -25.312
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: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -648.055510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.055510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.055510 (E_RNA)
where:
Base-Base interactions energy: -449.940
where: short stacking energy: -188.275
Base-Backbone interact. energy: 0.024
local terms energy: -198.140280
where:
bonds (distance) C4'-P energy: -35.373
bonds (distance) P-C4' energy: -41.662
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -27.819
tors. eta vs tors. theta energy: -56.275
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: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -471.104644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.104644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.104644 (E_RNA)
where:
Base-Base interactions energy: -302.083
where: short stacking energy: -138.247
Base-Backbone interact. energy: 4.434
local terms energy: -173.455256
where:
bonds (distance) C4'-P energy: -37.398
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -32.446
tors. eta vs tors. theta energy: -36.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -483.875008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.875008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.875008 (E_RNA)
where:
Base-Base interactions energy: -319.938
where: short stacking energy: -139.834
Base-Backbone interact. energy: -0.099
local terms energy: -163.838045
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -40.513
flat angles C4'-P-C4' energy: -44.412
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -38.153
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: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -300.099532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.099532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.099532 (E_RNA)
where:
Base-Base interactions energy: -161.268
where: short stacking energy: -94.472
Base-Backbone interact. energy: -0.961
local terms energy: -137.870449
where:
bonds (distance) C4'-P energy: -37.424
bonds (distance) P-C4' energy: -36.500
flat angles C4'-P-C4' energy: -23.891
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -17.150
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -199.626477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.626477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.626477 (E_RNA)
where:
Base-Base interactions energy: -64.248
where: short stacking energy: -54.668
Base-Backbone interact. energy: -0.781
local terms energy: -134.596976
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -45.280
flat angles P-C4'-P energy: -25.606
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -202.411568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.411568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.411568 (E_RNA)
where:
Base-Base interactions energy: -62.986
where: short stacking energy: -63.001
Base-Backbone interact. energy: 1.915
local terms energy: -141.340664
where:
bonds (distance) C4'-P energy: -38.738
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -10.821
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: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -165.619025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.619025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.619025 (E_RNA)
where:
Base-Base interactions energy: -46.726
where: short stacking energy: -45.063
Base-Backbone interact. energy: -0.144
local terms energy: -118.748978
where:
bonds (distance) C4'-P energy: -41.257
bonds (distance) P-C4' energy: -35.670
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -697.090634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.090634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.090634 (E_RNA)
where:
Base-Base interactions energy: -479.261
where: short stacking energy: -185.977
Base-Backbone interact. energy: -0.793
local terms energy: -217.036252
where:
bonds (distance) C4'-P energy: -44.486
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -43.398
flat angles P-C4'-P energy: -31.018
tors. eta vs tors. theta energy: -59.417
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: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -676.820966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.820966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.820966 (E_RNA)
where:
Base-Base interactions energy: -461.355
where: short stacking energy: -189.177
Base-Backbone interact. energy: -0.787
local terms energy: -214.678438
where:
bonds (distance) C4'-P energy: -38.937
bonds (distance) P-C4' energy: -43.546
flat angles C4'-P-C4' energy: -46.750
flat angles P-C4'-P energy: -25.155
tors. eta vs tors. theta energy: -60.290
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: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -608.525883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.525883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.525883 (E_RNA)
where:
Base-Base interactions energy: -400.173
where: short stacking energy: -168.869
Base-Backbone interact. energy: -1.428
local terms energy: -206.924504
where:
bonds (distance) C4'-P energy: -40.489
bonds (distance) P-C4' energy: -33.477
flat angles C4'-P-C4' energy: -46.984
flat angles P-C4'-P energy: -28.920
tors. eta vs tors. theta energy: -57.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -640.418256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.418256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.418256 (E_RNA)
where:
Base-Base interactions energy: -439.211
where: short stacking energy: -181.562
Base-Backbone interact. energy: -0.893
local terms energy: -200.314601
where:
bonds (distance) C4'-P energy: -37.631
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -43.713
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -60.596
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: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -530.617107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.617107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.617107 (E_RNA)
where:
Base-Base interactions energy: -342.857
where: short stacking energy: -166.548
Base-Backbone interact. energy: -0.196
local terms energy: -187.564805
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -39.474
flat angles C4'-P-C4' energy: -42.519
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -50.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -498.190615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.190615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.190615 (E_RNA)
where:
Base-Base interactions energy: -340.920
where: short stacking energy: -123.460
Base-Backbone interact. energy: -1.151
local terms energy: -156.119654
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -39.547
flat angles C4'-P-C4' energy: -33.971
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -33.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -314.603640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.603640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.603640 (E_RNA)
where:
Base-Base interactions energy: -165.502
where: short stacking energy: -104.542
Base-Backbone interact. energy: -0.709
local terms energy: -148.392449
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -32.758
flat angles C4'-P-C4' energy: -35.211
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -189.619196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.619196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.619196 (E_RNA)
where:
Base-Base interactions energy: -68.022
where: short stacking energy: -50.770
Base-Backbone interact. energy: -1.701
local terms energy: -119.895950
where:
bonds (distance) C4'-P energy: -36.468
bonds (distance) P-C4' energy: -41.987
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: 8.469
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: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -171.229093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.229093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.229093 (E_RNA)
where:
Base-Base interactions energy: -60.496
where: short stacking energy: -54.007
Base-Backbone interact. energy: -1.917
local terms energy: -108.815546
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -33.734
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: 2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -158.594971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.594971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.594971 (E_RNA)
where:
Base-Base interactions energy: -45.717
where: short stacking energy: -40.116
Base-Backbone interact. energy: -0.643
local terms energy: -112.234865
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -38.444
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -25.929
tors. eta vs tors. theta energy: 12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -694.440200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.440200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.440200 (E_RNA)
where:
Base-Base interactions energy: -479.489
where: short stacking energy: -202.446
Base-Backbone interact. energy: -1.446
local terms energy: -213.505302
where:
bonds (distance) C4'-P energy: -38.990
bonds (distance) P-C4' energy: -42.773
flat angles C4'-P-C4' energy: -44.353
flat angles P-C4'-P energy: -24.868
tors. eta vs tors. theta energy: -62.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -668.385134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.385134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.385134 (E_RNA)
where:
Base-Base interactions energy: -474.258
where: short stacking energy: -191.417
Base-Backbone interact. energy: -0.419
local terms energy: -193.708261
where:
bonds (distance) C4'-P energy: -39.119
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -39.254
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -55.605
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: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -665.160792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.160792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.160792 (E_RNA)
where:
Base-Base interactions energy: -464.069
where: short stacking energy: -191.326
Base-Backbone interact. energy: -1.807
local terms energy: -199.284105
where:
bonds (distance) C4'-P energy: -42.311
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -27.443
tors. eta vs tors. theta energy: -53.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -593.536494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.536494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.536494 (E_RNA)
where:
Base-Base interactions energy: -384.444
where: short stacking energy: -175.381
Base-Backbone interact. energy: -0.325
local terms energy: -208.767565
where:
bonds (distance) C4'-P energy: -43.135
bonds (distance) P-C4' energy: -42.225
flat angles C4'-P-C4' energy: -38.691
flat angles P-C4'-P energy: -28.955
tors. eta vs tors. theta energy: -55.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -529.630641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.630641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.630641 (E_RNA)
where:
Base-Base interactions energy: -343.105
where: short stacking energy: -168.620
Base-Backbone interact. energy: -2.177
local terms energy: -184.348314
where:
bonds (distance) C4'-P energy: -40.263
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -41.440
flat angles P-C4'-P energy: -23.615
tors. eta vs tors. theta energy: -50.747
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: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -518.589644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.589644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.589644 (E_RNA)
where:
Base-Base interactions energy: -337.050
where: short stacking energy: -133.188
Base-Backbone interact. energy: 0.572
local terms energy: -182.111239
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: -39.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -321.993170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.993170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.993170 (E_RNA)
where:
Base-Base interactions energy: -168.855
where: short stacking energy: -99.870
Base-Backbone interact. energy: -0.398
local terms energy: -152.740048
where:
bonds (distance) C4'-P energy: -37.131
bonds (distance) P-C4' energy: -35.822
flat angles C4'-P-C4' energy: -41.185
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -193.920076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.920076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.920076 (E_RNA)
where:
Base-Base interactions energy: -72.569
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.430
local terms energy: -120.921727
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -34.690
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -182.070996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.070996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.070996 (E_RNA)
where:
Base-Base interactions energy: -74.584
where: short stacking energy: -68.704
Base-Backbone interact. energy: 1.386
local terms energy: -108.873081
where:
bonds (distance) C4'-P energy: -25.483
bonds (distance) P-C4' energy: -36.177
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -190.868574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.868574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.868574 (E_RNA)
where:
Base-Base interactions energy: -80.179
where: short stacking energy: -54.217
Base-Backbone interact. energy: 4.949
local terms energy: -115.639437
where:
bonds (distance) C4'-P energy: -36.245
bonds (distance) P-C4' energy: -36.643
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: 3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -678.651614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.651614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.651614 (E_RNA)
where:
Base-Base interactions energy: -478.022
where: short stacking energy: -201.179
Base-Backbone interact. energy: -0.933
local terms energy: -199.696920
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -43.791
flat angles C4'-P-C4' energy: -41.817
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -60.286
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: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -673.775179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.775179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.775179 (E_RNA)
where:
Base-Base interactions energy: -463.903
where: short stacking energy: -189.604
Base-Backbone interact. energy: -2.678
local terms energy: -207.193567
where:
bonds (distance) C4'-P energy: -42.911
bonds (distance) P-C4' energy: -40.860
flat angles C4'-P-C4' energy: -40.729
flat angles P-C4'-P energy: -26.640
tors. eta vs tors. theta energy: -56.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -663.269881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.269881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.269881 (E_RNA)
where:
Base-Base interactions energy: -468.716
where: short stacking energy: -193.108
Base-Backbone interact. energy: -1.787
local terms energy: -192.766867
where:
bonds (distance) C4'-P energy: -36.584
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -42.271
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -59.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -578.196109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.196109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.196109 (E_RNA)
where:
Base-Base interactions energy: -377.355
where: short stacking energy: -162.552
Base-Backbone interact. energy: -0.226
local terms energy: -200.615225
where:
bonds (distance) C4'-P energy: -35.372
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -44.076
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -48.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -520.967692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.967692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.967692 (E_RNA)
where:
Base-Base interactions energy: -344.709
where: short stacking energy: -167.580
Base-Backbone interact. energy: 1.425
local terms energy: -177.683860
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -32.335
flat angles C4'-P-C4' energy: -39.071
flat angles P-C4'-P energy: -31.079
tors. eta vs tors. theta energy: -51.180
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: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -501.571209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.571209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.571209 (E_RNA)
where:
Base-Base interactions energy: -325.317
where: short stacking energy: -126.342
Base-Backbone interact. energy: -0.402
local terms energy: -175.852217
where:
bonds (distance) C4'-P energy: -38.846
bonds (distance) P-C4' energy: -40.212
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -35.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -309.609471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.609471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.609471 (E_RNA)
where:
Base-Base interactions energy: -161.023
where: short stacking energy: -88.362
Base-Backbone interact. energy: -0.598
local terms energy: -147.988295
where:
bonds (distance) C4'-P energy: -32.880
bonds (distance) P-C4' energy: -40.106
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -208.335013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.335013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.335013 (E_RNA)
where:
Base-Base interactions energy: -77.609
where: short stacking energy: -65.471
Base-Backbone interact. energy: -0.228
local terms energy: -130.498189
where:
bonds (distance) C4'-P energy: -34.785
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -6.035
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: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -194.774316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.774316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.774316 (E_RNA)
where:
Base-Base interactions energy: -64.892
where: short stacking energy: -56.197
Base-Backbone interact. energy: 0.964
local terms energy: -130.847057
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -36.510
flat angles C4'-P-C4' energy: -34.769
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -187.380202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.380202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.380202 (E_RNA)
where:
Base-Base interactions energy: -80.552
where: short stacking energy: -44.901
Base-Backbone interact. energy: 2.463
local terms energy: -109.290347
where:
bonds (distance) C4'-P energy: -41.618
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: 5.221
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: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -690.795630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.795630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.795630 (E_RNA)
where:
Base-Base interactions energy: -475.154
where: short stacking energy: -193.402
Base-Backbone interact. energy: -1.121
local terms energy: -214.521409
where:
bonds (distance) C4'-P energy: -43.276
bonds (distance) P-C4' energy: -37.557
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -34.670
tors. eta vs tors. theta energy: -62.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -669.007928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.007928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.007928 (E_RNA)
where:
Base-Base interactions energy: -459.931
where: short stacking energy: -186.160
Base-Backbone interact. energy: -1.199
local terms energy: -207.877604
where:
bonds (distance) C4'-P energy: -38.870
bonds (distance) P-C4' energy: -36.595
flat angles C4'-P-C4' energy: -41.742
flat angles P-C4'-P energy: -33.502
tors. eta vs tors. theta energy: -57.169
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: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -671.210957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.210957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.210957 (E_RNA)
where:
Base-Base interactions energy: -473.599
where: short stacking energy: -198.546
Base-Backbone interact. energy: -0.044
local terms energy: -197.567617
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -39.213
flat angles C4'-P-C4' energy: -39.975
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -53.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -602.260417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.260417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.260417 (E_RNA)
where:
Base-Base interactions energy: -401.827
where: short stacking energy: -191.714
Base-Backbone interact. energy: 0.887
local terms energy: -201.319930
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -39.119
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -33.383
tors. eta vs tors. theta energy: -54.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -548.454888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.454888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.454888 (E_RNA)
where:
Base-Base interactions energy: -362.918
where: short stacking energy: -160.336
Base-Backbone interact. energy: -1.191
local terms energy: -184.346045
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -40.438
flat angles C4'-P-C4' energy: -37.096
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -47.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -513.016211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.016211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.016211 (E_RNA)
where:
Base-Base interactions energy: -331.050
where: short stacking energy: -151.467
Base-Backbone interact. energy: 1.158
local terms energy: -183.124351
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -39.706
flat angles C4'-P-C4' energy: -42.103
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -48.685
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: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -313.397252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.397252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.397252 (E_RNA)
where:
Base-Base interactions energy: -171.156
where: short stacking energy: -98.327
Base-Backbone interact. energy: 0.380
local terms energy: -142.621391
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -36.091
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -26.045
tors. eta vs tors. theta energy: -17.062
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: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -200.389380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.389380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.389380 (E_RNA)
where:
Base-Base interactions energy: -68.133
where: short stacking energy: -56.874
Base-Backbone interact. energy: -0.513
local terms energy: -131.743070
where:
bonds (distance) C4'-P energy: -38.767
bonds (distance) P-C4' energy: -27.226
flat angles C4'-P-C4' energy: -33.301
flat angles P-C4'-P energy: -28.551
tors. eta vs tors. theta energy: -3.898
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: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -192.316319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.316319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.316319 (E_RNA)
where:
Base-Base interactions energy: -67.902
where: short stacking energy: -61.045
Base-Backbone interact. energy: -0.272
local terms energy: -124.141921
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -30.236
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -163.053088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.053088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.053088 (E_RNA)
where:
Base-Base interactions energy: -44.488
where: short stacking energy: -39.137
Base-Backbone interact. energy: -0.906
local terms energy: -117.658521
where:
bonds (distance) C4'-P energy: -39.181
bonds (distance) P-C4' energy: -33.823
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: 0.918
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: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -696.217583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.217583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.217583 (E_RNA)
where:
Base-Base interactions energy: -486.340
where: short stacking energy: -196.394
Base-Backbone interact. energy: -3.189
local terms energy: -206.688649
where:
bonds (distance) C4'-P energy: -39.888
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -43.910
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -59.831
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: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -684.055142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.055142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.055142 (E_RNA)
where:
Base-Base interactions energy: -478.095
where: short stacking energy: -187.393
Base-Backbone interact. energy: -0.006
local terms energy: -205.954706
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -42.373
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -28.870
tors. eta vs tors. theta energy: -57.777
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: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -652.228974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.228974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.228974 (E_RNA)
where:
Base-Base interactions energy: -449.144
where: short stacking energy: -182.377
Base-Backbone interact. energy: -2.384
local terms energy: -200.701296
where:
bonds (distance) C4'-P energy: -42.333
bonds (distance) P-C4' energy: -39.903
flat angles C4'-P-C4' energy: -40.849
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -56.303
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: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -591.195221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.195221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.195221 (E_RNA)
where:
Base-Base interactions energy: -390.235
where: short stacking energy: -166.913
Base-Backbone interact. energy: -0.555
local terms energy: -200.405173
where:
bonds (distance) C4'-P energy: -39.659
bonds (distance) P-C4' energy: -41.752
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -27.977
tors. eta vs tors. theta energy: -47.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -555.017507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.017507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.017507 (E_RNA)
where:
Base-Base interactions energy: -366.595
where: short stacking energy: -155.130
Base-Backbone interact. energy: -0.587
local terms energy: -187.835157
where:
bonds (distance) C4'-P energy: -40.392
bonds (distance) P-C4' energy: -41.212
flat angles C4'-P-C4' energy: -40.542
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -41.433
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: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -526.207003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.207003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.207003 (E_RNA)
where:
Base-Base interactions energy: -326.321
where: short stacking energy: -158.309
Base-Backbone interact. energy: -0.283
local terms energy: -199.602595
where:
bonds (distance) C4'-P energy: -35.109
bonds (distance) P-C4' energy: -40.436
flat angles C4'-P-C4' energy: -44.567
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -46.405
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: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -293.912962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.912962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.912962 (E_RNA)
where:
Base-Base interactions energy: -153.790
where: short stacking energy: -80.142
Base-Backbone interact. energy: 0.155
local terms energy: -140.277636
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -32.684
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -19.593
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: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -189.300375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.300375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.300375 (E_RNA)
where:
Base-Base interactions energy: -73.913
where: short stacking energy: -45.465
Base-Backbone interact. energy: 1.484
local terms energy: -116.872029
where:
bonds (distance) C4'-P energy: -43.421
bonds (distance) P-C4' energy: -38.437
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: 6.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -182.188443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.188443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.188443 (E_RNA)
where:
Base-Base interactions energy: -53.766
where: short stacking energy: -53.766
Base-Backbone interact. energy: 0.390
local terms energy: -128.812802
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -34.435
flat angles C4'-P-C4' energy: -39.577
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -173.848772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.848772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.848772 (E_RNA)
where:
Base-Base interactions energy: -48.559
where: short stacking energy: -39.612
Base-Backbone interact. energy: -0.823
local terms energy: -124.466992
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -33.659
flat angles P-C4'-P energy: -23.653
tors. eta vs tors. theta energy: 4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -698.224482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.224482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.224482 (E_RNA)
where:
Base-Base interactions energy: -485.684
where: short stacking energy: -189.395
Base-Backbone interact. energy: -1.884
local terms energy: -210.656737
where:
bonds (distance) C4'-P energy: -44.084
bonds (distance) P-C4' energy: -43.132
flat angles C4'-P-C4' energy: -40.981
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -56.232
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: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -694.616659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.616659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.616659 (E_RNA)
where:
Base-Base interactions energy: -487.683
where: short stacking energy: -204.078
Base-Backbone interact. energy: -0.567
local terms energy: -206.366857
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -32.649
flat angles C4'-P-C4' energy: -51.051
flat angles P-C4'-P energy: -27.619
tors. eta vs tors. theta energy: -59.839
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: 354
Temperature: 1.000000
Total energy: -652.290876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.290876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.290876 (E_RNA)
where:
Base-Base interactions energy: -458.786
where: short stacking energy: -195.697
Base-Backbone interact. energy: -1.641
local terms energy: -191.864310
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -42.342
flat angles C4'-P-C4' energy: -35.577
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: -59.163
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: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -541.916944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.916944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.916944 (E_RNA)
where:
Base-Base interactions energy: -354.688
where: short stacking energy: -154.492
Base-Backbone interact. energy: -0.309
local terms energy: -186.920813
where:
bonds (distance) C4'-P energy: -35.116
bonds (distance) P-C4' energy: -33.730
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -31.081
tors. eta vs tors. theta energy: -50.282
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: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -533.724502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.724502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.724502 (E_RNA)
where:
Base-Base interactions energy: -348.015
where: short stacking energy: -157.522
Base-Backbone interact. energy: -0.260
local terms energy: -185.449496
where:
bonds (distance) C4'-P energy: -33.972
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -46.813
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -524.347561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.347561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.347561 (E_RNA)
where:
Base-Base interactions energy: -351.075
where: short stacking energy: -145.721
Base-Backbone interact. energy: -0.913
local terms energy: -172.359352
where:
bonds (distance) C4'-P energy: -33.657
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -42.308
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -40.256
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: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -311.339578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.339578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.339578 (E_RNA)
where:
Base-Base interactions energy: -165.208
where: short stacking energy: -103.211
Base-Backbone interact. energy: 0.456
local terms energy: -146.587884
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -33.594
flat angles C4'-P-C4' energy: -30.972
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -196.144958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.144958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.144958 (E_RNA)
where:
Base-Base interactions energy: -84.353
where: short stacking energy: -68.351
Base-Backbone interact. energy: 1.583
local terms energy: -113.374170
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -11.866
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: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -189.589037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.589037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.589037 (E_RNA)
where:
Base-Base interactions energy: -84.559
where: short stacking energy: -46.209
Base-Backbone interact. energy: 0.813
local terms energy: -105.842436
where:
bonds (distance) C4'-P energy: -36.250
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: 5.424
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: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -161.885668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.885668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.885668 (E_RNA)
where:
Base-Base interactions energy: -57.996
where: short stacking energy: -49.011
Base-Backbone interact. energy: -1.016
local terms energy: -102.874096
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -35.442
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: 7.506
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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -687.538910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.538910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.538910 (E_RNA)
where:
Base-Base interactions energy: -475.044
where: short stacking energy: -181.953
Base-Backbone interact. energy: -0.263
local terms energy: -212.232052
where:
bonds (distance) C4'-P energy: -44.170
bonds (distance) P-C4' energy: -41.529
flat angles C4'-P-C4' energy: -45.589
flat angles P-C4'-P energy: -28.484
tors. eta vs tors. theta energy: -52.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -682.744356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.744356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.744356 (E_RNA)
where:
Base-Base interactions energy: -477.779
where: short stacking energy: -193.785
Base-Backbone interact. energy: -0.835
local terms energy: -204.130812
where:
bonds (distance) C4'-P energy: -38.667
bonds (distance) P-C4' energy: -36.549
flat angles C4'-P-C4' energy: -44.509
flat angles P-C4'-P energy: -32.948
tors. eta vs tors. theta energy: -51.458
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: 355
Temperature: 1.000000
Total energy: -652.607370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.607370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.607370 (E_RNA)
where:
Base-Base interactions energy: -464.488
where: short stacking energy: -180.174
Base-Backbone interact. energy: -1.150
local terms energy: -186.968995
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -43.551
flat angles C4'-P-C4' energy: -41.074
flat angles P-C4'-P energy: -21.966
tors. eta vs tors. theta energy: -54.485
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: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -544.369414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.369414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.369414 (E_RNA)
where:
Base-Base interactions energy: -348.542
where: short stacking energy: -171.680
Base-Backbone interact. energy: -0.898
local terms energy: -194.928927
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -36.582
flat angles C4'-P-C4' energy: -41.001
flat angles P-C4'-P energy: -31.907
tors. eta vs tors. theta energy: -54.813
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: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -535.850678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.850678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.850678 (E_RNA)
where:
Base-Base interactions energy: -343.526
where: short stacking energy: -179.531
Base-Backbone interact. energy: 0.088
local terms energy: -192.412654
where:
bonds (distance) C4'-P energy: -31.548
bonds (distance) P-C4' energy: -40.433
flat angles C4'-P-C4' energy: -39.631
flat angles P-C4'-P energy: -30.822
tors. eta vs tors. theta energy: -49.979
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: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -529.356859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.356859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.356859 (E_RNA)
where:
Base-Base interactions energy: -343.171
where: short stacking energy: -142.206
Base-Backbone interact. energy: -0.376
local terms energy: -185.810275
where:
bonds (distance) C4'-P energy: -45.434
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -38.658
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -42.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -312.330679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.330679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.330679 (E_RNA)
where:
Base-Base interactions energy: -174.328
where: short stacking energy: -92.925
Base-Backbone interact. energy: 0.833
local terms energy: -138.835733
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -40.551
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -194.705660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.705660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.705660 (E_RNA)
where:
Base-Base interactions energy: -73.014
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.319
local terms energy: -121.372525
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -35.413
flat angles C4'-P-C4' energy: -29.886
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -188.727823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.727823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.727823 (E_RNA)
where:
Base-Base interactions energy: -67.964
where: short stacking energy: -52.915
Base-Backbone interact. energy: -0.397
local terms energy: -120.367102
where:
bonds (distance) C4'-P energy: -39.546
bonds (distance) P-C4' energy: -39.466
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -189.796020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.796020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.796020 (E_RNA)
where:
Base-Base interactions energy: -76.612
where: short stacking energy: -64.447
Base-Backbone interact. energy: -0.703
local terms energy: -112.481180
where:
bonds (distance) C4'-P energy: -36.593
bonds (distance) P-C4' energy: -36.269
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -699.436798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.436798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.436798 (E_RNA)
where:
Base-Base interactions energy: -489.266
where: short stacking energy: -199.062
Base-Backbone interact. energy: -0.221
local terms energy: -209.949346
where:
bonds (distance) C4'-P energy: -42.459
bonds (distance) P-C4' energy: -39.217
flat angles C4'-P-C4' energy: -47.129
flat angles P-C4'-P energy: -26.561
tors. eta vs tors. theta energy: -54.583
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: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -662.363797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.363797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.363797 (E_RNA)
where:
Base-Base interactions energy: -455.288
where: short stacking energy: -199.736
Base-Backbone interact. energy: -1.576
local terms energy: -205.499147
where:
bonds (distance) C4'-P energy: -36.544
bonds (distance) P-C4' energy: -38.203
flat angles C4'-P-C4' energy: -48.830
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -56.833
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: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -643.648106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.648106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.648106 (E_RNA)
where:
Base-Base interactions energy: -440.981
where: short stacking energy: -172.898
Base-Backbone interact. energy: 1.229
local terms energy: -203.895714
where:
bonds (distance) C4'-P energy: -41.806
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -39.231
flat angles P-C4'-P energy: -26.012
tors. eta vs tors. theta energy: -52.375
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: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -545.113884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.113884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.113884 (E_RNA)
where:
Base-Base interactions energy: -332.325
where: short stacking energy: -168.413
Base-Backbone interact. energy: -0.671
local terms energy: -212.118139
where:
bonds (distance) C4'-P energy: -44.389
bonds (distance) P-C4' energy: -37.730
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -53.340
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: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -545.211865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.211865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.211865 (E_RNA)
where:
Base-Base interactions energy: -375.641
where: short stacking energy: -160.477
Base-Backbone interact. energy: -0.051
local terms energy: -169.519779
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -39.616
flat angles C4'-P-C4' energy: -40.816
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -43.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -545.953179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.953179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.953179 (E_RNA)
where:
Base-Base interactions energy: -352.359
where: short stacking energy: -154.851
Base-Backbone interact. energy: -0.402
local terms energy: -193.191771
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -41.491
flat angles C4'-P-C4' energy: -41.910
flat angles P-C4'-P energy: -27.031
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: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -308.122845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.122845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.122845 (E_RNA)
where:
Base-Base interactions energy: -163.134
where: short stacking energy: -92.029
Base-Backbone interact. energy: -0.644
local terms energy: -144.344686
where:
bonds (distance) C4'-P energy: -31.907
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -38.297
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -14.444
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: 356
Temperature: 1.250000
Total energy: -190.122217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.122217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.122217 (E_RNA)
where:
Base-Base interactions energy: -63.691
where: short stacking energy: -48.846
Base-Backbone interact. energy: -0.951
local terms energy: -125.480148
where:
bonds (distance) C4'-P energy: -40.936
bonds (distance) P-C4' energy: -38.240
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -22.356
tors. eta vs tors. theta energy: 8.637
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: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -172.078760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.078760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.078760 (E_RNA)
where:
Base-Base interactions energy: -33.022
where: short stacking energy: -23.875
Base-Backbone interact. energy: -1.571
local terms energy: -137.485725
where:
bonds (distance) C4'-P energy: -39.751
bonds (distance) P-C4' energy: -39.320
flat angles C4'-P-C4' energy: -40.568
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: 4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -160.826190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.826190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.826190 (E_RNA)
where:
Base-Base interactions energy: -45.346
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.909
local terms energy: -114.571399
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -35.524
flat angles C4'-P-C4' energy: -34.923
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: 7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -686.863849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.863849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.863849 (E_RNA)
where:
Base-Base interactions energy: -476.996
where: short stacking energy: -195.231
Base-Backbone interact. energy: -0.863
local terms energy: -209.004420
where:
bonds (distance) C4'-P energy: -35.999
bonds (distance) P-C4' energy: -46.248
flat angles C4'-P-C4' energy: -42.789
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -59.187
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: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -664.946568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.946568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.946568 (E_RNA)
where:
Base-Base interactions energy: -469.864
where: short stacking energy: -193.400
Base-Backbone interact. energy: -0.580
local terms energy: -194.501710
where:
bonds (distance) C4'-P energy: -38.953
bonds (distance) P-C4' energy: -34.710
flat angles C4'-P-C4' energy: -40.737
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -59.800
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: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -655.597196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.597196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.597196 (E_RNA)
where:
Base-Base interactions energy: -445.061
where: short stacking energy: -187.327
Base-Backbone interact. energy: -1.643
local terms energy: -208.892513
where:
bonds (distance) C4'-P energy: -39.589
bonds (distance) P-C4' energy: -42.194
flat angles C4'-P-C4' energy: -41.611
flat angles P-C4'-P energy: -32.405
tors. eta vs tors. theta energy: -53.094
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: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -596.937670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.937670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.937670 (E_RNA)
where:
Base-Base interactions energy: -405.457
where: short stacking energy: -166.241
Base-Backbone interact. energy: -0.168
local terms energy: -191.311908
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -42.568
flat angles C4'-P-C4' energy: -38.319
flat angles P-C4'-P energy: -25.554
tors. eta vs tors. theta energy: -54.604
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: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -519.311168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.311168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.311168 (E_RNA)
where:
Base-Base interactions energy: -326.154
where: short stacking energy: -152.350
Base-Backbone interact. energy: -0.792
local terms energy: -192.365430
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -40.405
flat angles C4'-P-C4' energy: -39.597
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: -46.263
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: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -542.357526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.357526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.357526 (E_RNA)
where:
Base-Base interactions energy: -365.328
where: short stacking energy: -162.436
Base-Backbone interact. energy: -0.194
local terms energy: -176.835876
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -41.819
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -48.555
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: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -316.894469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.894469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.894469 (E_RNA)
where:
Base-Base interactions energy: -178.730
where: short stacking energy: -97.918
Base-Backbone interact. energy: -0.937
local terms energy: -137.227393
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -38.424
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -24.203
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -244.558751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.558751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.558751 (E_RNA)
where:
Base-Base interactions energy: -111.587
where: short stacking energy: -66.520
Base-Backbone interact. energy: -1.617
local terms energy: -131.354612
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -197.313986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.313986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.313986 (E_RNA)
where:
Base-Base interactions energy: -86.382
where: short stacking energy: -43.748
Base-Backbone interact. energy: 1.169
local terms energy: -112.100192
where:
bonds (distance) C4'-P energy: -33.687
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: 2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -182.657656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.657656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.657656 (E_RNA)
where:
Base-Base interactions energy: -70.284
where: short stacking energy: -56.588
Base-Backbone interact. energy: -1.581
local terms energy: -110.792811
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -28.405
flat angles C4'-P-C4' energy: -36.703
flat angles P-C4'-P energy: -23.029
tors. eta vs tors. theta energy: 3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -694.127539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.127539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.127539 (E_RNA)
where:
Base-Base interactions energy: -486.052
where: short stacking energy: -199.215
Base-Backbone interact. energy: -0.788
local terms energy: -207.287176
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -47.512
flat angles C4'-P-C4' energy: -46.513
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -60.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -668.435499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.435499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.435499 (E_RNA)
where:
Base-Base interactions energy: -471.567
where: short stacking energy: -177.289
Base-Backbone interact. energy: -3.360
local terms energy: -193.508157
where:
bonds (distance) C4'-P energy: -40.849
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -37.558
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -51.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -654.604995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.604995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.604995 (E_RNA)
where:
Base-Base interactions energy: -440.893
where: short stacking energy: -190.339
Base-Backbone interact. energy: -0.782
local terms energy: -212.930039
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -39.254
flat angles C4'-P-C4' energy: -44.892
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -60.613
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: 358
Temperature: 1.050000
Total energy: -570.224051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.224051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.224051 (E_RNA)
where:
Base-Base interactions energy: -384.139
where: short stacking energy: -159.524
Base-Backbone interact. energy: -0.388
local terms energy: -185.697082
where:
bonds (distance) C4'-P energy: -27.344
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -32.928
tors. eta vs tors. theta energy: -45.317
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: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -554.833052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.833052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.833052 (E_RNA)
where:
Base-Base interactions energy: -384.016
where: short stacking energy: -165.195
Base-Backbone interact. energy: -0.668
local terms energy: -170.149174
where:
bonds (distance) C4'-P energy: -36.101
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -39.087
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -45.742
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: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -496.349473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.349473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.349473 (E_RNA)
where:
Base-Base interactions energy: -313.102
where: short stacking energy: -143.628
Base-Backbone interact. energy: -0.172
local terms energy: -183.075817
where:
bonds (distance) C4'-P energy: -34.391
bonds (distance) P-C4' energy: -35.988
flat angles C4'-P-C4' energy: -40.790
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -51.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -318.828347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.828347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.828347 (E_RNA)
where:
Base-Base interactions energy: -165.720
where: short stacking energy: -88.940
Base-Backbone interact. energy: -0.127
local terms energy: -152.981507
where:
bonds (distance) C4'-P energy: -31.824
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -42.402
flat angles P-C4'-P energy: -20.427
tors. eta vs tors. theta energy: -23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -233.565035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.565035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.565035 (E_RNA)
where:
Base-Base interactions energy: -112.647
where: short stacking energy: -76.514
Base-Backbone interact. energy: -0.833
local terms energy: -120.084616
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -33.080
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -191.666739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.666739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.666739 (E_RNA)
where:
Base-Base interactions energy: -73.131
where: short stacking energy: -34.736
Base-Backbone interact. energy: -0.607
local terms energy: -117.928343
where:
bonds (distance) C4'-P energy: -34.658
bonds (distance) P-C4' energy: -34.064
flat angles C4'-P-C4' energy: -38.336
flat angles P-C4'-P energy: -17.591
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: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -194.928447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.928447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.928447 (E_RNA)
where:
Base-Base interactions energy: -69.434
where: short stacking energy: -51.366
Base-Backbone interact. energy: -1.261
local terms energy: -124.232665
where:
bonds (distance) C4'-P energy: -32.730
bonds (distance) P-C4' energy: -41.734
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -12.215
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: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -673.158480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.158480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.158480 (E_RNA)
where:
Base-Base interactions energy: -461.732
where: short stacking energy: -185.763
Base-Backbone interact. energy: -1.010
local terms energy: -210.416786
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -37.411
flat angles C4'-P-C4' energy: -43.894
flat angles P-C4'-P energy: -28.849
tors. eta vs tors. theta energy: -58.367
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: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -672.975659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.975659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.975659 (E_RNA)
where:
Base-Base interactions energy: -474.894
where: short stacking energy: -186.819
Base-Backbone interact. energy: 1.719
local terms energy: -199.800401
where:
bonds (distance) C4'-P energy: -37.658
bonds (distance) P-C4' energy: -33.362
flat angles C4'-P-C4' energy: -37.653
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: -54.811
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: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -653.936941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.936941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.936941 (E_RNA)
where:
Base-Base interactions energy: -447.027
where: short stacking energy: -186.067
Base-Backbone interact. energy: -0.645
local terms energy: -206.264175
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -43.188
flat angles C4'-P-C4' energy: -48.385
flat angles P-C4'-P energy: -26.113
tors. eta vs tors. theta energy: -57.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -580.167172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.167172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.167172 (E_RNA)
where:
Base-Base interactions energy: -389.701
where: short stacking energy: -175.513
Base-Backbone interact. energy: -0.430
local terms energy: -190.036371
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -36.612
flat angles C4'-P-C4' energy: -40.547
flat angles P-C4'-P energy: -29.969
tors. eta vs tors. theta energy: -47.921
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: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -568.624976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.624976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.624976 (E_RNA)
where:
Base-Base interactions energy: -379.730
where: short stacking energy: -173.394
Base-Backbone interact. energy: -0.524
local terms energy: -188.371152
where:
bonds (distance) C4'-P energy: -37.749
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -44.418
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -48.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -506.491197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.491197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.491197 (E_RNA)
where:
Base-Base interactions energy: -330.776
where: short stacking energy: -147.039
Base-Backbone interact. energy: -0.703
local terms energy: -175.011768
where:
bonds (distance) C4'-P energy: -37.048
bonds (distance) P-C4' energy: -36.601
flat angles C4'-P-C4' energy: -39.445
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -44.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -301.525797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.525797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.525797 (E_RNA)
where:
Base-Base interactions energy: -139.556
where: short stacking energy: -81.419
Base-Backbone interact. energy: 0.874
local terms energy: -162.843942
where:
bonds (distance) C4'-P energy: -37.843
bonds (distance) P-C4' energy: -34.647
flat angles C4'-P-C4' energy: -36.119
flat angles P-C4'-P energy: -28.353
tors. eta vs tors. theta energy: -25.881
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: 359
Temperature: 1.250000
Total energy: -219.869464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.869464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.869464 (E_RNA)
where:
Base-Base interactions energy: -91.036
where: short stacking energy: -66.491
Base-Backbone interact. energy: -0.673
local terms energy: -128.160126
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -29.660
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: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -183.204022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.204022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.204022 (E_RNA)
where:
Base-Base interactions energy: -56.838
where: short stacking energy: -48.763
Base-Backbone interact. energy: 0.144
local terms energy: -126.510357
where:
bonds (distance) C4'-P energy: -40.897
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: 4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -184.873884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.873884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.873884 (E_RNA)
where:
Base-Base interactions energy: -72.237
where: short stacking energy: -60.645
Base-Backbone interact. energy: 0.186
local terms energy: -112.822467
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -691.061794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.061794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.061794 (E_RNA)
where:
Base-Base interactions energy: -485.664
where: short stacking energy: -196.259
Base-Backbone interact. energy: 0.067
local terms energy: -205.464953
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -41.303
flat angles C4'-P-C4' energy: -44.169
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -53.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -669.802161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.802161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.802161 (E_RNA)
where:
Base-Base interactions energy: -468.032
where: short stacking energy: -191.973
Base-Backbone interact. energy: -2.200
local terms energy: -199.569514
where:
bonds (distance) C4'-P energy: -37.485
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -42.500
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -58.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -666.855922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.855922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.855922 (E_RNA)
where:
Base-Base interactions energy: -465.036
where: short stacking energy: -197.635
Base-Backbone interact. energy: -0.870
local terms energy: -200.950483
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -29.103
flat angles C4'-P-C4' energy: -46.520
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -57.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -579.352185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.352185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.352185 (E_RNA)
where:
Base-Base interactions energy: -387.647
where: short stacking energy: -174.763
Base-Backbone interact. energy: -0.311
local terms energy: -191.393734
where:
bonds (distance) C4'-P energy: -39.102
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -40.926
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -53.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -563.338644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.338644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.338644 (E_RNA)
where:
Base-Base interactions energy: -377.921
where: short stacking energy: -172.681
Base-Backbone interact. energy: -0.750
local terms energy: -184.668220
where:
bonds (distance) C4'-P energy: -33.439
bonds (distance) P-C4' energy: -41.259
flat angles C4'-P-C4' energy: -36.838
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: -49.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -510.310362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.310362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.310362 (E_RNA)
where:
Base-Base interactions energy: -332.492
where: short stacking energy: -163.441
Base-Backbone interact. energy: -0.166
local terms energy: -177.651712
where:
bonds (distance) C4'-P energy: -36.576
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -34.237
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -48.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -296.312952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.312952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.312952 (E_RNA)
where:
Base-Base interactions energy: -153.848
where: short stacking energy: -82.344
Base-Backbone interact. energy: -0.310
local terms energy: -142.155357
where:
bonds (distance) C4'-P energy: -32.095
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -39.245
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -10.964
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: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -207.547198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.547198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.547198 (E_RNA)
where:
Base-Base interactions energy: -71.448
where: short stacking energy: -71.448
Base-Backbone interact. energy: -0.192
local terms energy: -135.906647
where:
bonds (distance) C4'-P energy: -36.269
bonds (distance) P-C4' energy: -39.574
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -28.124
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -201.776547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.776547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.776547 (E_RNA)
where:
Base-Base interactions energy: -67.975
where: short stacking energy: -65.382
Base-Backbone interact. energy: -0.355
local terms energy: -133.446857
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -40.375
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -161.078478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.078478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.078478 (E_RNA)
where:
Base-Base interactions energy: -50.991
where: short stacking energy: -45.883
Base-Backbone interact. energy: 0.054
local terms energy: -110.141296
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: 0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -686.393543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.393543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.393543 (E_RNA)
where:
Base-Base interactions energy: -479.871
where: short stacking energy: -190.579
Base-Backbone interact. energy: -0.793
local terms energy: -205.729201
where:
bonds (distance) C4'-P energy: -37.644
bonds (distance) P-C4' energy: -41.965
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -55.527
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: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -683.051602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.051602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.051602 (E_RNA)
where:
Base-Base interactions energy: -466.744
where: short stacking energy: -183.274
Base-Backbone interact. energy: -1.442
local terms energy: -214.865511
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -41.357
flat angles C4'-P-C4' energy: -44.789
flat angles P-C4'-P energy: -31.072
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: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -647.835229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.835229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.835229 (E_RNA)
where:
Base-Base interactions energy: -454.582
where: short stacking energy: -187.798
Base-Backbone interact. energy: -1.573
local terms energy: -191.680959
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -40.467
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: -54.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -572.792999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.792999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.792999 (E_RNA)
where:
Base-Base interactions energy: -380.890
where: short stacking energy: -170.297
Base-Backbone interact. energy: -1.183
local terms energy: -190.719516
where:
bonds (distance) C4'-P energy: -42.940
bonds (distance) P-C4' energy: -27.698
flat angles C4'-P-C4' energy: -44.189
flat angles P-C4'-P energy: -24.706
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: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -559.447905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.447905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.447905 (E_RNA)
where:
Base-Base interactions energy: -374.772
where: short stacking energy: -163.119
Base-Backbone interact. energy: -0.204
local terms energy: -184.472205
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -33.897
flat angles C4'-P-C4' energy: -37.287
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -55.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -509.923102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.923102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.923102 (E_RNA)
where:
Base-Base interactions energy: -337.209
where: short stacking energy: -153.844
Base-Backbone interact. energy: -0.682
local terms energy: -172.032257
where:
bonds (distance) C4'-P energy: -28.054
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -38.291
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -48.605
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: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -295.761554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.761554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.761554 (E_RNA)
where:
Base-Base interactions energy: -152.323
where: short stacking energy: -84.385
Base-Backbone interact. energy: -0.630
local terms energy: -142.809182
where:
bonds (distance) C4'-P energy: -32.308
bonds (distance) P-C4' energy: -41.373
flat angles C4'-P-C4' energy: -40.535
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -2.573
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: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -207.962169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.962169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.962169 (E_RNA)
where:
Base-Base interactions energy: -87.703
where: short stacking energy: -62.500
Base-Backbone interact. energy: 2.260
local terms energy: -122.518551
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -7.698
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: 361
Temperature: 1.300000
Total energy: -187.895282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.895282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.895282 (E_RNA)
where:
Base-Base interactions energy: -73.535
where: short stacking energy: -45.903
Base-Backbone interact. energy: 0.022
local terms energy: -114.381814
where:
bonds (distance) C4'-P energy: -28.945
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -16.615
tors. eta vs tors. theta energy: 0.918
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: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -166.510228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.510228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.510228 (E_RNA)
where:
Base-Base interactions energy: -59.660
where: short stacking energy: -55.440
Base-Backbone interact. energy: 0.267
local terms energy: -107.117572
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -22.182
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: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -680.209551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.209551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.209551 (E_RNA)
where:
Base-Base interactions energy: -472.737
where: short stacking energy: -191.950
Base-Backbone interact. energy: -0.820
local terms energy: -206.652366
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -39.222
flat angles C4'-P-C4' energy: -42.594
flat angles P-C4'-P energy: -30.758
tors. eta vs tors. theta energy: -62.872
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: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -681.137426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.137426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.137426 (E_RNA)
where:
Base-Base interactions energy: -476.878
where: short stacking energy: -196.440
Base-Backbone interact. energy: 0.474
local terms energy: -204.733272
where:
bonds (distance) C4'-P energy: -37.111
bonds (distance) P-C4' energy: -39.580
flat angles C4'-P-C4' energy: -42.675
flat angles P-C4'-P energy: -29.498
tors. eta vs tors. theta energy: -55.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -628.645853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.645853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.645853 (E_RNA)
where:
Base-Base interactions energy: -429.246
where: short stacking energy: -165.110
Base-Backbone interact. energy: -1.654
local terms energy: -197.745744
where:
bonds (distance) C4'-P energy: -38.207
bonds (distance) P-C4' energy: -35.325
flat angles C4'-P-C4' energy: -45.386
flat angles P-C4'-P energy: -27.523
tors. eta vs tors. theta energy: -51.304
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: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -562.049278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.049278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.049278 (E_RNA)
where:
Base-Base interactions energy: -368.880
where: short stacking energy: -161.928
Base-Backbone interact. energy: 3.076
local terms energy: -196.245524
where:
bonds (distance) C4'-P energy: -44.619
bonds (distance) P-C4' energy: -40.975
flat angles C4'-P-C4' energy: -39.903
flat angles P-C4'-P energy: -23.045
tors. eta vs tors. theta energy: -47.703
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: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -547.936461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.936461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.936461 (E_RNA)
where:
Base-Base interactions energy: -358.581
where: short stacking energy: -175.386
Base-Backbone interact. energy: 0.444
local terms energy: -189.798981
where:
bonds (distance) C4'-P energy: -28.479
bonds (distance) P-C4' energy: -41.175
flat angles C4'-P-C4' energy: -45.187
flat angles P-C4'-P energy: -24.462
tors. eta vs tors. theta energy: -50.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -535.684020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.684020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.684020 (E_RNA)
where:
Base-Base interactions energy: -345.377
where: short stacking energy: -138.444
Base-Backbone interact. energy: 0.663
local terms energy: -190.969805
where:
bonds (distance) C4'-P energy: -37.137
bonds (distance) P-C4' energy: -40.529
flat angles C4'-P-C4' energy: -39.175
flat angles P-C4'-P energy: -35.359
tors. eta vs tors. theta energy: -38.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -294.077278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.077278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.077278 (E_RNA)
where:
Base-Base interactions energy: -166.518
where: short stacking energy: -87.666
Base-Backbone interact. energy: -0.287
local terms energy: -127.271963
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -10.999
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: 362
Temperature: 1.250000
Total energy: -191.161669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.161669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.161669 (E_RNA)
where:
Base-Base interactions energy: -66.595
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.552
local terms energy: -124.014548
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -39.890
flat angles C4'-P-C4' energy: -37.981
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -3.579
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: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -177.875110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.875110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.875110 (E_RNA)
where:
Base-Base interactions energy: -73.350
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.304
local terms energy: -104.220749
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: 9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -175.225989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.225989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.225989 (E_RNA)
where:
Base-Base interactions energy: -50.998
where: short stacking energy: -48.082
Base-Backbone interact. energy: -0.599
local terms energy: -123.628109
where:
bonds (distance) C4'-P energy: -30.483
bonds (distance) P-C4' energy: -40.188
flat angles C4'-P-C4' energy: -31.678
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -686.747701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.747701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.747701 (E_RNA)
where:
Base-Base interactions energy: -467.077
where: short stacking energy: -188.757
Base-Backbone interact. energy: -0.312
local terms energy: -219.358733
where:
bonds (distance) C4'-P energy: -39.347
bonds (distance) P-C4' energy: -43.667
flat angles C4'-P-C4' energy: -42.858
flat angles P-C4'-P energy: -32.862
tors. eta vs tors. theta energy: -60.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -651.279625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.279625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.279625 (E_RNA)
where:
Base-Base interactions energy: -458.236
where: short stacking energy: -175.105
Base-Backbone interact. energy: -0.071
local terms energy: -192.973149
where:
bonds (distance) C4'-P energy: -36.720
bonds (distance) P-C4' energy: -38.403
flat angles C4'-P-C4' energy: -43.409
flat angles P-C4'-P energy: -29.462
tors. eta vs tors. theta energy: -44.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -662.405482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.405482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.405482 (E_RNA)
where:
Base-Base interactions energy: -466.112
where: short stacking energy: -193.846
Base-Backbone interact. energy: -0.308
local terms energy: -195.984784
where:
bonds (distance) C4'-P energy: -36.493
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -38.222
flat angles P-C4'-P energy: -27.431
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: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -562.916259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.916259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.916259 (E_RNA)
where:
Base-Base interactions energy: -368.619
where: short stacking energy: -177.640
Base-Backbone interact. energy: 0.654
local terms energy: -194.951167
where:
bonds (distance) C4'-P energy: -29.617
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -39.869
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: -58.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -545.857159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.857159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.857159 (E_RNA)
where:
Base-Base interactions energy: -362.070
where: short stacking energy: -153.304
Base-Backbone interact. energy: -0.376
local terms energy: -183.411069
where:
bonds (distance) C4'-P energy: -36.042
bonds (distance) P-C4' energy: -40.846
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -32.033
tors. eta vs tors. theta energy: -38.641
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: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -546.900977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.900977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.900977 (E_RNA)
where:
Base-Base interactions energy: -358.700
where: short stacking energy: -168.617
Base-Backbone interact. energy: -1.489
local terms energy: -186.711954
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -38.587
flat angles C4'-P-C4' energy: -42.253
flat angles P-C4'-P energy: -28.796
tors. eta vs tors. theta energy: -47.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -307.013474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.013474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.013474 (E_RNA)
where:
Base-Base interactions energy: -163.265
where: short stacking energy: -92.675
Base-Backbone interact. energy: -0.627
local terms energy: -143.121931
where:
bonds (distance) C4'-P energy: -39.257
bonds (distance) P-C4' energy: -40.660
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -19.073
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: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -229.958888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.958888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.958888 (E_RNA)
where:
Base-Base interactions energy: -95.942
where: short stacking energy: -66.831
Base-Backbone interact. energy: -0.300
local terms energy: -133.717137
where:
bonds (distance) C4'-P energy: -40.831
bonds (distance) P-C4' energy: -39.208
flat angles C4'-P-C4' energy: -33.408
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -185.353155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.353155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.353155 (E_RNA)
where:
Base-Base interactions energy: -66.912
where: short stacking energy: -45.040
Base-Backbone interact. energy: -0.140
local terms energy: -118.300700
where:
bonds (distance) C4'-P energy: -31.401
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: 2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -167.564335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.564335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.564335 (E_RNA)
where:
Base-Base interactions energy: -61.290
where: short stacking energy: -43.695
Base-Backbone interact. energy: 0.092
local terms energy: -106.366890
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: 4.059
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: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -695.234823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.234823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.234823 (E_RNA)
where:
Base-Base interactions energy: -467.159
where: short stacking energy: -181.643
Base-Backbone interact. energy: -0.150
local terms energy: -227.925782
where:
bonds (distance) C4'-P energy: -48.611
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -62.579
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: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -660.455492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.455492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.455492 (E_RNA)
where:
Base-Base interactions energy: -461.330
where: short stacking energy: -169.388
Base-Backbone interact. energy: -1.760
local terms energy: -197.365661
where:
bonds (distance) C4'-P energy: -32.759
bonds (distance) P-C4' energy: -41.658
flat angles C4'-P-C4' energy: -42.465
flat angles P-C4'-P energy: -30.012
tors. eta vs tors. theta energy: -50.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -649.884575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.884575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.884575 (E_RNA)
where:
Base-Base interactions energy: -439.232
where: short stacking energy: -185.753
Base-Backbone interact. energy: -0.805
local terms energy: -209.848142
where:
bonds (distance) C4'-P energy: -33.813
bonds (distance) P-C4' energy: -42.467
flat angles C4'-P-C4' energy: -43.422
flat angles P-C4'-P energy: -31.832
tors. eta vs tors. theta energy: -58.314
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: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -573.602287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.602287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.602287 (E_RNA)
where:
Base-Base interactions energy: -372.061
where: short stacking energy: -181.400
Base-Backbone interact. energy: -0.029
local terms energy: -201.511616
where:
bonds (distance) C4'-P energy: -39.790
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -58.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -558.028370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.028370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.028370 (E_RNA)
where:
Base-Base interactions energy: -384.055
where: short stacking energy: -165.323
Base-Backbone interact. energy: -0.444
local terms energy: -173.529602
where:
bonds (distance) C4'-P energy: -33.945
bonds (distance) P-C4' energy: -30.290
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -51.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -540.011508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.011508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.011508 (E_RNA)
where:
Base-Base interactions energy: -371.483
where: short stacking energy: -147.542
Base-Backbone interact. energy: 0.351
local terms energy: -168.879176
where:
bonds (distance) C4'-P energy: -43.268
bonds (distance) P-C4' energy: -29.571
flat angles C4'-P-C4' energy: -38.757
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -44.718
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: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -262.761097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.761097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.761097 (E_RNA)
where:
Base-Base interactions energy: -139.508
where: short stacking energy: -85.076
Base-Backbone interact. energy: -0.604
local terms energy: -122.649357
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -31.199
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -13.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -287.191824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.191824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.191824 (E_RNA)
where:
Base-Base interactions energy: -157.903
where: short stacking energy: -85.092
Base-Backbone interact. energy: -0.498
local terms energy: -128.790977
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -32.407
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -199.006787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.006787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.006787 (E_RNA)
where:
Base-Base interactions energy: -71.754
where: short stacking energy: -55.543
Base-Backbone interact. energy: -0.902
local terms energy: -126.350843
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -40.935
flat angles C4'-P-C4' energy: -34.705
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -168.178647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.178647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.178647 (E_RNA)
where:
Base-Base interactions energy: -45.809
where: short stacking energy: -44.735
Base-Backbone interact. energy: 3.246
local terms energy: -125.615493
where:
bonds (distance) C4'-P energy: -33.338
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -672.766172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.766172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.766172 (E_RNA)
where:
Base-Base interactions energy: -452.077
where: short stacking energy: -176.185
Base-Backbone interact. energy: -0.453
local terms energy: -220.236554
where:
bonds (distance) C4'-P energy: -43.971
bonds (distance) P-C4' energy: -47.166
flat angles C4'-P-C4' energy: -40.470
flat angles P-C4'-P energy: -29.946
tors. eta vs tors. theta energy: -58.684
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: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -658.314591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.314591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.314591 (E_RNA)
where:
Base-Base interactions energy: -475.394
where: short stacking energy: -184.093
Base-Backbone interact. energy: -0.894
local terms energy: -182.026989
where:
bonds (distance) C4'-P energy: -35.360
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -37.912
flat angles P-C4'-P energy: -28.450
tors. eta vs tors. theta energy: -46.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -678.308206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.308206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.308206 (E_RNA)
where:
Base-Base interactions energy: -463.541
where: short stacking energy: -188.074
Base-Backbone interact. energy: -0.938
local terms energy: -213.828292
where:
bonds (distance) C4'-P energy: -38.800
bonds (distance) P-C4' energy: -40.455
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -30.690
tors. eta vs tors. theta energy: -60.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -588.249019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.249019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.249019 (E_RNA)
where:
Base-Base interactions energy: -386.939
where: short stacking energy: -166.162
Base-Backbone interact. energy: -0.303
local terms energy: -201.007874
where:
bonds (distance) C4'-P energy: -42.344
bonds (distance) P-C4' energy: -38.889
flat angles C4'-P-C4' energy: -40.263
flat angles P-C4'-P energy: -29.354
tors. eta vs tors. theta energy: -50.157
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: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -590.293873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.293873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.293873 (E_RNA)
where:
Base-Base interactions energy: -384.714
where: short stacking energy: -172.835
Base-Backbone interact. energy: -0.113
local terms energy: -205.466724
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -45.551
flat angles C4'-P-C4' energy: -45.717
flat angles P-C4'-P energy: -27.248
tors. eta vs tors. theta energy: -54.239
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: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -541.727816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.727816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.727816 (E_RNA)
where:
Base-Base interactions energy: -361.019
where: short stacking energy: -144.014
Base-Backbone interact. energy: -0.977
local terms energy: -179.731419
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -39.369
flat angles C4'-P-C4' energy: -41.855
flat angles P-C4'-P energy: -30.261
tors. eta vs tors. theta energy: -43.619
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: 365
Temperature: 1.200000
Total energy: -296.819775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.819775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.819775 (E_RNA)
where:
Base-Base interactions energy: -147.684
where: short stacking energy: -85.376
Base-Backbone interact. energy: -0.525
local terms energy: -148.610324
where:
bonds (distance) C4'-P energy: -35.758
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -37.343
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -25.168
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: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -290.616871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.616871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.616871 (E_RNA)
where:
Base-Base interactions energy: -148.666
where: short stacking energy: -81.770
Base-Backbone interact. energy: 1.046
local terms energy: -142.996217
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -33.006
flat angles C4'-P-C4' energy: -32.332
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -191.755948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.755948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.755948 (E_RNA)
where:
Base-Base interactions energy: -71.633
where: short stacking energy: -49.501
Base-Backbone interact. energy: -0.678
local terms energy: -119.444087
where:
bonds (distance) C4'-P energy: -28.787
bonds (distance) P-C4' energy: -38.927
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: 2.642
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: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -186.481542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.481542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.481542 (E_RNA)
where:
Base-Base interactions energy: -59.899
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.442
local terms energy: -126.141279
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -41.823
flat angles C4'-P-C4' energy: -39.264
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: 3.092
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: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -672.431595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.431595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.431595 (E_RNA)
where:
Base-Base interactions energy: -462.655
where: short stacking energy: -189.713
Base-Backbone interact. energy: -1.204
local terms energy: -208.572838
where:
bonds (distance) C4'-P energy: -38.102
bonds (distance) P-C4' energy: -41.740
flat angles C4'-P-C4' energy: -43.065
flat angles P-C4'-P energy: -29.556
tors. eta vs tors. theta energy: -56.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -664.154480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.154480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.154480 (E_RNA)
where:
Base-Base interactions energy: -475.074
where: short stacking energy: -184.377
Base-Backbone interact. energy: 0.071
local terms energy: -189.151999
where:
bonds (distance) C4'-P energy: -37.348
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -37.357
flat angles P-C4'-P energy: -27.984
tors. eta vs tors. theta energy: -52.560
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: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -646.923746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.923746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.923746 (E_RNA)
where:
Base-Base interactions energy: -440.000
where: short stacking energy: -184.574
Base-Backbone interact. energy: -0.901
local terms energy: -206.022519
where:
bonds (distance) C4'-P energy: -43.501
bonds (distance) P-C4' energy: -47.662
flat angles C4'-P-C4' energy: -34.544
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -56.000
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: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -613.530761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.530761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.530761 (E_RNA)
where:
Base-Base interactions energy: -415.328
where: short stacking energy: -196.758
Base-Backbone interact. energy: -0.038
local terms energy: -198.164454
where:
bonds (distance) C4'-P energy: -30.499
bonds (distance) P-C4' energy: -40.248
flat angles C4'-P-C4' energy: -42.568
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -55.379
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: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -555.172889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.172889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.172889 (E_RNA)
where:
Base-Base interactions energy: -376.553
where: short stacking energy: -161.179
Base-Backbone interact. energy: 0.909
local terms energy: -179.528922
where:
bonds (distance) C4'-P energy: -31.482
bonds (distance) P-C4' energy: -35.936
flat angles C4'-P-C4' energy: -41.597
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -49.780
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: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -585.503952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.503952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.503952 (E_RNA)
where:
Base-Base interactions energy: -396.413
where: short stacking energy: -159.150
Base-Backbone interact. energy: -0.751
local terms energy: -188.339583
where:
bonds (distance) C4'-P energy: -31.915
bonds (distance) P-C4' energy: -37.329
flat angles C4'-P-C4' energy: -41.391
flat angles P-C4'-P energy: -27.574
tors. eta vs tors. theta energy: -50.130
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: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -311.214350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.214350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.214350 (E_RNA)
where:
Base-Base interactions energy: -174.841
where: short stacking energy: -104.057
Base-Backbone interact. energy: -0.446
local terms energy: -135.927415
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -35.150
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -20.137
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: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -252.474897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.474897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.474897 (E_RNA)
where:
Base-Base interactions energy: -114.170
where: short stacking energy: -70.519
Base-Backbone interact. energy: -1.693
local terms energy: -136.611808
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -180.090158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.090158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.090158 (E_RNA)
where:
Base-Base interactions energy: -58.954
where: short stacking energy: -33.901
Base-Backbone interact. energy: 0.016
local terms energy: -121.152337
where:
bonds (distance) C4'-P energy: -40.094
bonds (distance) P-C4' energy: -39.187
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: 3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -164.121739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.121739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.121739 (E_RNA)
where:
Base-Base interactions energy: -56.053
where: short stacking energy: -38.419
Base-Backbone interact. energy: 2.452
local terms energy: -110.520674
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -38.771
flat angles C4'-P-C4' energy: -32.355
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: 6.353
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: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -691.856277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.856277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.856277 (E_RNA)
where:
Base-Base interactions energy: -463.859
where: short stacking energy: -186.778
Base-Backbone interact. energy: -0.538
local terms energy: -227.460020
where:
bonds (distance) C4'-P energy: -49.372
bonds (distance) P-C4' energy: -40.807
flat angles C4'-P-C4' energy: -44.284
flat angles P-C4'-P energy: -29.709
tors. eta vs tors. theta energy: -63.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -669.379698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.379698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.379698 (E_RNA)
where:
Base-Base interactions energy: -459.944
where: short stacking energy: -182.031
Base-Backbone interact. energy: -0.993
local terms energy: -208.442880
where:
bonds (distance) C4'-P energy: -43.978
bonds (distance) P-C4' energy: -42.336
flat angles C4'-P-C4' energy: -39.236
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -55.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -634.205627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.205627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.205627 (E_RNA)
where:
Base-Base interactions energy: -448.428
where: short stacking energy: -173.468
Base-Backbone interact. energy: -0.727
local terms energy: -185.050552
where:
bonds (distance) C4'-P energy: -36.819
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -45.625
flat angles P-C4'-P energy: -21.472
tors. eta vs tors. theta energy: -52.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -615.200285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.200285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.200285 (E_RNA)
where:
Base-Base interactions energy: -422.109
where: short stacking energy: -191.866
Base-Backbone interact. energy: 0.390
local terms energy: -193.481788
where:
bonds (distance) C4'-P energy: -27.085
bonds (distance) P-C4' energy: -41.649
flat angles C4'-P-C4' energy: -40.191
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -61.619
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: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -542.324299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.324299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.324299 (E_RNA)
where:
Base-Base interactions energy: -353.507
where: short stacking energy: -162.436
Base-Backbone interact. energy: 2.891
local terms energy: -191.707536
where:
bonds (distance) C4'-P energy: -36.395
bonds (distance) P-C4' energy: -38.370
flat angles C4'-P-C4' energy: -47.329
flat angles P-C4'-P energy: -22.914
tors. eta vs tors. theta energy: -46.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -623.940235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.940235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.940235 (E_RNA)
where:
Base-Base interactions energy: -437.372
where: short stacking energy: -197.586
Base-Backbone interact. energy: -0.343
local terms energy: -186.225510
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -41.786
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -61.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -309.756195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.756195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.756195 (E_RNA)
where:
Base-Base interactions energy: -168.187
where: short stacking energy: -93.680
Base-Backbone interact. energy: 0.264
local terms energy: -141.832907
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -39.450
flat angles C4'-P-C4' energy: -31.810
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -193.561191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.561191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.561191 (E_RNA)
where:
Base-Base interactions energy: -63.435
where: short stacking energy: -46.906
Base-Backbone interact. energy: -1.399
local terms energy: -128.727755
where:
bonds (distance) C4'-P energy: -31.911
bonds (distance) P-C4' energy: -33.247
flat angles C4'-P-C4' energy: -31.375
flat angles P-C4'-P energy: -25.643
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -212.287143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.287143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.287143 (E_RNA)
where:
Base-Base interactions energy: -83.678
where: short stacking energy: -39.787
Base-Backbone interact. energy: -1.330
local terms energy: -127.278331
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -38.805
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: 7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -178.838570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.838570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.838570 (E_RNA)
where:
Base-Base interactions energy: -66.551
where: short stacking energy: -65.082
Base-Backbone interact. energy: -0.970
local terms energy: -111.317598
where:
bonds (distance) C4'-P energy: -27.138
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -33.329
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -677.898365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.898365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.898365 (E_RNA)
where:
Base-Base interactions energy: -472.934
where: short stacking energy: -189.421
Base-Backbone interact. energy: -1.247
local terms energy: -203.717586
where:
bonds (distance) C4'-P energy: -36.970
bonds (distance) P-C4' energy: -37.940
flat angles C4'-P-C4' energy: -48.398
flat angles P-C4'-P energy: -25.186
tors. eta vs tors. theta energy: -55.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -673.491145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.491145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.491145 (E_RNA)
where:
Base-Base interactions energy: -462.447
where: short stacking energy: -179.777
Base-Backbone interact. energy: -0.662
local terms energy: -210.382142
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -37.083
flat angles C4'-P-C4' energy: -43.464
flat angles P-C4'-P energy: -31.049
tors. eta vs tors. theta energy: -63.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -641.040056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.040056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.040056 (E_RNA)
where:
Base-Base interactions energy: -450.242
where: short stacking energy: -186.505
Base-Backbone interact. energy: -2.540
local terms energy: -188.258152
where:
bonds (distance) C4'-P energy: -28.131
bonds (distance) P-C4' energy: -35.596
flat angles C4'-P-C4' energy: -40.929
flat angles P-C4'-P energy: -31.661
tors. eta vs tors. theta energy: -51.941
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: 368
Temperature: 1.050000
Total energy: -591.936432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.936432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.936432 (E_RNA)
where:
Base-Base interactions energy: -389.317
where: short stacking energy: -164.936
Base-Backbone interact. energy: -1.004
local terms energy: -201.615661
where:
bonds (distance) C4'-P energy: -39.414
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -43.082
flat angles P-C4'-P energy: -30.700
tors. eta vs tors. theta energy: -51.005
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: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -635.155048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.155048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.155048 (E_RNA)
where:
Base-Base interactions energy: -433.385
where: short stacking energy: -199.351
Base-Backbone interact. energy: -0.015
local terms energy: -201.755252
where:
bonds (distance) C4'-P energy: -32.962
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -44.131
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -58.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -547.556236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.556236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.556236 (E_RNA)
where:
Base-Base interactions energy: -382.868
where: short stacking energy: -154.659
Base-Backbone interact. energy: -0.270
local terms energy: -164.418642
where:
bonds (distance) C4'-P energy: -33.244
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -36.501
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: -52.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -316.053509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.053509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.053509 (E_RNA)
where:
Base-Base interactions energy: -167.913
where: short stacking energy: -91.134
Base-Backbone interact. energy: -1.142
local terms energy: -146.998562
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -42.220
flat angles C4'-P-C4' energy: -40.739
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -212.961909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.961909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.961909 (E_RNA)
where:
Base-Base interactions energy: -90.997
where: short stacking energy: -63.191
Base-Backbone interact. energy: 0.510
local terms energy: -122.474774
where:
bonds (distance) C4'-P energy: -29.184
bonds (distance) P-C4' energy: -32.813
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -185.567923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.567923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.567923 (E_RNA)
where:
Base-Base interactions energy: -60.289
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.555
local terms energy: -124.724058
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -43.062
flat angles C4'-P-C4' energy: -28.624
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -3.454
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: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -168.462657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.462657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.462657 (E_RNA)
where:
Base-Base interactions energy: -71.140
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.191
local terms energy: -97.131360
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -33.395
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -10.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -677.723309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.723309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.723309 (E_RNA)
where:
Base-Base interactions energy: -464.321
where: short stacking energy: -191.380
Base-Backbone interact. energy: 0.827
local terms energy: -214.229368
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -44.535
flat angles C4'-P-C4' energy: -46.148
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: -62.203
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: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -646.421771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.421771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.421771 (E_RNA)
where:
Base-Base interactions energy: -451.432
where: short stacking energy: -185.829
Base-Backbone interact. energy: -1.497
local terms energy: -193.492941
where:
bonds (distance) C4'-P energy: -41.946
bonds (distance) P-C4' energy: -33.139
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -28.021
tors. eta vs tors. theta energy: -46.033
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: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -628.785210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.785210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.785210 (E_RNA)
where:
Base-Base interactions energy: -440.553
where: short stacking energy: -173.502
Base-Backbone interact. energy: -1.591
local terms energy: -186.640937
where:
bonds (distance) C4'-P energy: -34.130
bonds (distance) P-C4' energy: -33.067
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -54.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -626.262698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.262698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.262698 (E_RNA)
where:
Base-Base interactions energy: -425.798
where: short stacking energy: -186.884
Base-Backbone interact. energy: -0.069
local terms energy: -200.396521
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -36.626
flat angles C4'-P-C4' energy: -38.476
flat angles P-C4'-P energy: -31.133
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: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -571.496674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.496674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.496674 (E_RNA)
where:
Base-Base interactions energy: -386.927
where: short stacking energy: -179.070
Base-Backbone interact. energy: 0.782
local terms energy: -185.351221
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -39.233
flat angles C4'-P-C4' energy: -40.904
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: -55.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -539.256406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.256406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.256406 (E_RNA)
where:
Base-Base interactions energy: -367.600
where: short stacking energy: -161.453
Base-Backbone interact. energy: -0.686
local terms energy: -170.969978
where:
bonds (distance) C4'-P energy: -36.497
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -37.658
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -42.905
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: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -315.295688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.295688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.295688 (E_RNA)
where:
Base-Base interactions energy: -173.939
where: short stacking energy: -98.159
Base-Backbone interact. energy: 0.295
local terms energy: -141.651775
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -30.116
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -31.083
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -201.219249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.219249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.219249 (E_RNA)
where:
Base-Base interactions energy: -65.731
where: short stacking energy: -65.007
Base-Backbone interact. energy: 0.253
local terms energy: -135.741138
where:
bonds (distance) C4'-P energy: -35.761
bonds (distance) P-C4' energy: -34.962
flat angles C4'-P-C4' energy: -35.914
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -185.254153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.254153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.254153 (E_RNA)
where:
Base-Base interactions energy: -60.810
where: short stacking energy: -57.386
Base-Backbone interact. energy: -0.771
local terms energy: -123.673279
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -33.884
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -3.067
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: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -180.376675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.376675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.376675 (E_RNA)
where:
Base-Base interactions energy: -74.716
where: short stacking energy: -34.509
Base-Backbone interact. energy: -1.425
local terms energy: -104.235088
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -29.790
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: 11.475
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: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -678.357517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.357517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.357517 (E_RNA)
where:
Base-Base interactions energy: -457.010
where: short stacking energy: -191.217
Base-Backbone interact. energy: -1.179
local terms energy: -220.168271
where:
bonds (distance) C4'-P energy: -38.950
bonds (distance) P-C4' energy: -44.209
flat angles C4'-P-C4' energy: -41.283
flat angles P-C4'-P energy: -33.573
tors. eta vs tors. theta energy: -62.153
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: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -661.254329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.254329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.254329 (E_RNA)
where:
Base-Base interactions energy: -445.256
where: short stacking energy: -181.649
Base-Backbone interact. energy: -1.074
local terms energy: -214.924284
where:
bonds (distance) C4'-P energy: -42.326
bonds (distance) P-C4' energy: -43.675
flat angles C4'-P-C4' energy: -41.762
flat angles P-C4'-P energy: -28.587
tors. eta vs tors. theta energy: -58.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -650.630915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.630915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.630915 (E_RNA)
where:
Base-Base interactions energy: -452.052
where: short stacking energy: -204.864
Base-Backbone interact. energy: -0.076
local terms energy: -198.502626
where:
bonds (distance) C4'-P energy: -33.820
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -41.638
flat angles P-C4'-P energy: -27.974
tors. eta vs tors. theta energy: -62.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -623.155453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.155453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.155453 (E_RNA)
where:
Base-Base interactions energy: -433.507
where: short stacking energy: -166.750
Base-Backbone interact. energy: -1.521
local terms energy: -188.128046
where:
bonds (distance) C4'-P energy: -31.123
bonds (distance) P-C4' energy: -37.629
flat angles C4'-P-C4' energy: -46.719
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -48.969
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: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -580.312475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.312475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.312475 (E_RNA)
where:
Base-Base interactions energy: -372.553
where: short stacking energy: -164.366
Base-Backbone interact. energy: -0.830
local terms energy: -206.929913
where:
bonds (distance) C4'-P energy: -36.656
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -43.198
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: -58.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -540.279648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.279648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.279648 (E_RNA)
where:
Base-Base interactions energy: -361.396
where: short stacking energy: -157.744
Base-Backbone interact. energy: -0.139
local terms energy: -178.744949
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -41.847
flat angles P-C4'-P energy: -26.328
tors. eta vs tors. theta energy: -50.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -316.890161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.890161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.890161 (E_RNA)
where:
Base-Base interactions energy: -160.745
where: short stacking energy: -96.524
Base-Backbone interact. energy: -0.350
local terms energy: -155.795624
where:
bonds (distance) C4'-P energy: -39.009
bonds (distance) P-C4' energy: -34.355
flat angles C4'-P-C4' energy: -39.069
flat angles P-C4'-P energy: -26.145
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: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -217.647109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.647109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.647109 (E_RNA)
where:
Base-Base interactions energy: -98.890
where: short stacking energy: -59.689
Base-Backbone interact. energy: 3.319
local terms energy: -122.075957
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -44.168
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -191.311622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.311622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.311622 (E_RNA)
where:
Base-Base interactions energy: -68.432
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.673
local terms energy: -122.206515
where:
bonds (distance) C4'-P energy: -28.329
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -35.780
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -4.735
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: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -170.016522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.016522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.016522 (E_RNA)
where:
Base-Base interactions energy: -56.076
where: short stacking energy: -52.213
Base-Backbone interact. energy: 0.497
local terms energy: -114.437351
where:
bonds (distance) C4'-P energy: -42.329
bonds (distance) P-C4' energy: -35.841
flat angles C4'-P-C4' energy: -27.305
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: 2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -670.319790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.319790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.319790 (E_RNA)
where:
Base-Base interactions energy: -463.983
where: short stacking energy: -188.294
Base-Backbone interact. energy: -1.047
local terms energy: -205.290289
where:
bonds (distance) C4'-P energy: -43.787
bonds (distance) P-C4' energy: -34.027
flat angles C4'-P-C4' energy: -47.478
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -55.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -651.495303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.495303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.495303 (E_RNA)
where:
Base-Base interactions energy: -443.280
where: short stacking energy: -192.387
Base-Backbone interact. energy: -0.505
local terms energy: -207.709786
where:
bonds (distance) C4'-P energy: -41.846
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -44.460
flat angles P-C4'-P energy: -32.159
tors. eta vs tors. theta energy: -60.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -648.854366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.854366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.854366 (E_RNA)
where:
Base-Base interactions energy: -454.313
where: short stacking energy: -180.128
Base-Backbone interact. energy: -1.246
local terms energy: -193.295514
where:
bonds (distance) C4'-P energy: -40.299
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -39.538
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -44.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -612.359186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.359186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.359186 (E_RNA)
where:
Base-Base interactions energy: -438.933
where: short stacking energy: -162.569
Base-Backbone interact. energy: -1.616
local terms energy: -171.810033
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -32.479
flat angles C4'-P-C4' energy: -38.141
flat angles P-C4'-P energy: -28.838
tors. eta vs tors. theta energy: -44.641
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: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -586.292874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.292874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.292874 (E_RNA)
where:
Base-Base interactions energy: -398.951
where: short stacking energy: -162.006
Base-Backbone interact. energy: 0.836
local terms energy: -188.177802
where:
bonds (distance) C4'-P energy: -35.364
bonds (distance) P-C4' energy: -36.490
flat angles C4'-P-C4' energy: -34.144
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -52.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -538.302134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.302134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.302134 (E_RNA)
where:
Base-Base interactions energy: -354.047
where: short stacking energy: -158.051
Base-Backbone interact. energy: -1.219
local terms energy: -183.035811
where:
bonds (distance) C4'-P energy: -36.744
bonds (distance) P-C4' energy: -41.692
flat angles C4'-P-C4' energy: -38.849
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -44.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -319.337601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.337601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.337601 (E_RNA)
where:
Base-Base interactions energy: -168.042
where: short stacking energy: -97.174
Base-Backbone interact. energy: -0.312
local terms energy: -150.983730
where:
bonds (distance) C4'-P energy: -38.219
bonds (distance) P-C4' energy: -41.813
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: -13.615
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: 371
Temperature: 1.250000
Total energy: -231.979344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.979344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.979344 (E_RNA)
where:
Base-Base interactions energy: -113.167
where: short stacking energy: -71.022
Base-Backbone interact. energy: -0.185
local terms energy: -118.627469
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -11.933
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: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -179.668714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.668714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.668714 (E_RNA)
where:
Base-Base interactions energy: -69.557
where: short stacking energy: -60.143
Base-Backbone interact. energy: -0.998
local terms energy: -109.113434
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -35.621
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -173.270961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.270961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.270961 (E_RNA)
where:
Base-Base interactions energy: -64.187
where: short stacking energy: -39.446
Base-Backbone interact. energy: -0.612
local terms energy: -108.472633
where:
bonds (distance) C4'-P energy: -33.900
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -32.421
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: 5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -669.163553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.163553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.163553 (E_RNA)
where:
Base-Base interactions energy: -461.817
where: short stacking energy: -199.933
Base-Backbone interact. energy: -0.715
local terms energy: -206.631707
where:
bonds (distance) C4'-P energy: -45.056
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -44.306
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -61.149
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: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -667.451348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.451348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.451348 (E_RNA)
where:
Base-Base interactions energy: -457.375
where: short stacking energy: -188.263
Base-Backbone interact. energy: -0.727
local terms energy: -209.350059
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -37.290
flat angles C4'-P-C4' energy: -43.100
flat angles P-C4'-P energy: -30.710
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: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -620.229681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.229681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.229681 (E_RNA)
where:
Base-Base interactions energy: -427.804
where: short stacking energy: -175.530
Base-Backbone interact. energy: -1.608
local terms energy: -190.817603
where:
bonds (distance) C4'-P energy: -38.251
bonds (distance) P-C4' energy: -38.685
flat angles C4'-P-C4' energy: -38.909
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -51.501
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: 372
Temperature: 1.050000
Total energy: -630.510445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.510445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.510445 (E_RNA)
where:
Base-Base interactions energy: -434.364
where: short stacking energy: -170.604
Base-Backbone interact. energy: 0.523
local terms energy: -196.668849
where:
bonds (distance) C4'-P energy: -36.928
bonds (distance) P-C4' energy: -40.159
flat angles C4'-P-C4' energy: -38.559
flat angles P-C4'-P energy: -27.210
tors. eta vs tors. theta energy: -53.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -571.431331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.431331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.431331 (E_RNA)
where:
Base-Base interactions energy: -381.703
where: short stacking energy: -168.451
Base-Backbone interact. energy: 1.681
local terms energy: -191.409142
where:
bonds (distance) C4'-P energy: -33.627
bonds (distance) P-C4' energy: -34.586
flat angles C4'-P-C4' energy: -39.823
flat angles P-C4'-P energy: -31.023
tors. eta vs tors. theta energy: -52.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -556.522481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.522481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.522481 (E_RNA)
where:
Base-Base interactions energy: -367.272
where: short stacking energy: -170.022
Base-Backbone interact. energy: -1.692
local terms energy: -187.558585
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -34.046
flat angles C4'-P-C4' energy: -43.080
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -53.618
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: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -306.595049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.595049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.595049 (E_RNA)
where:
Base-Base interactions energy: -146.741
where: short stacking energy: -100.367
Base-Backbone interact. energy: 0.476
local terms energy: -160.329794
where:
bonds (distance) C4'-P energy: -40.510
bonds (distance) P-C4' energy: -45.960
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -24.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -219.125785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.125785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.125785 (E_RNA)
where:
Base-Base interactions energy: -93.110
where: short stacking energy: -60.387
Base-Backbone interact. energy: 0.767
local terms energy: -126.782617
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -37.791
flat angles C4'-P-C4' energy: -32.363
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -180.203414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.203414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.203414 (E_RNA)
where:
Base-Base interactions energy: -59.163
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.372
local terms energy: -120.668453
where:
bonds (distance) C4'-P energy: -35.297
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -25.307
flat angles P-C4'-P energy: -26.750
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -176.976099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.976099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.976099 (E_RNA)
where:
Base-Base interactions energy: -80.080
where: short stacking energy: -57.615
Base-Backbone interact. energy: -0.337
local terms energy: -96.559228
where:
bonds (distance) C4'-P energy: -31.955
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -28.728
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: 2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -672.438305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.438305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.438305 (E_RNA)
where:
Base-Base interactions energy: -460.229
where: short stacking energy: -210.572
Base-Backbone interact. energy: -0.739
local terms energy: -211.470272
where:
bonds (distance) C4'-P energy: -34.705
bonds (distance) P-C4' energy: -40.704
flat angles C4'-P-C4' energy: -40.731
flat angles P-C4'-P energy: -32.200
tors. eta vs tors. theta energy: -63.130
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: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -675.290073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.290073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.290073 (E_RNA)
where:
Base-Base interactions energy: -479.709
where: short stacking energy: -201.091
Base-Backbone interact. energy: -0.372
local terms energy: -195.209164
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -36.014
flat angles C4'-P-C4' energy: -47.056
flat angles P-C4'-P energy: -24.453
tors. eta vs tors. theta energy: -55.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -618.634957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.634957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.634957 (E_RNA)
where:
Base-Base interactions energy: -423.922
where: short stacking energy: -168.244
Base-Backbone interact. energy: -2.483
local terms energy: -192.229695
where:
bonds (distance) C4'-P energy: -31.295
bonds (distance) P-C4' energy: -41.190
flat angles C4'-P-C4' energy: -40.178
flat angles P-C4'-P energy: -30.419
tors. eta vs tors. theta energy: -49.148
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: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -632.557258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.557258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.557258 (E_RNA)
where:
Base-Base interactions energy: -429.671
where: short stacking energy: -171.360
Base-Backbone interact. energy: 0.419
local terms energy: -203.305986
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -44.290
flat angles C4'-P-C4' energy: -43.570
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -49.454
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: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -554.535738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.535738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.535738 (E_RNA)
where:
Base-Base interactions energy: -371.640
where: short stacking energy: -153.488
Base-Backbone interact. energy: 0.308
local terms energy: -183.203785
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -34.754
flat angles C4'-P-C4' energy: -34.117
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -52.054
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: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -521.899951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.899951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.899951 (E_RNA)
where:
Base-Base interactions energy: -352.097
where: short stacking energy: -143.661
Base-Backbone interact. energy: -0.398
local terms energy: -169.405327
where:
bonds (distance) C4'-P energy: -31.808
bonds (distance) P-C4' energy: -37.223
flat angles C4'-P-C4' energy: -37.375
flat angles P-C4'-P energy: -24.072
tors. eta vs tors. theta energy: -38.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -293.837694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.837694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.837694 (E_RNA)
where:
Base-Base interactions energy: -148.917
where: short stacking energy: -85.468
Base-Backbone interact. energy: -1.359
local terms energy: -143.562262
where:
bonds (distance) C4'-P energy: -37.563
bonds (distance) P-C4' energy: -38.462
flat angles C4'-P-C4' energy: -33.633
flat angles P-C4'-P energy: -18.191
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: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -223.552223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.552223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.552223 (E_RNA)
where:
Base-Base interactions energy: -113.699
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.675
local terms energy: -109.178811
where:
bonds (distance) C4'-P energy: -28.056
bonds (distance) P-C4' energy: -39.059
flat angles C4'-P-C4' energy: -35.781
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: 1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -187.065368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.065368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.065368 (E_RNA)
where:
Base-Base interactions energy: -54.208
where: short stacking energy: -52.291
Base-Backbone interact. energy: -0.376
local terms energy: -132.482062
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -40.341
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -228.745831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.745831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.745831 (E_RNA)
where:
Base-Base interactions energy: -115.675
where: short stacking energy: -58.711
Base-Backbone interact. energy: -1.400
local terms energy: -111.670411
where:
bonds (distance) C4'-P energy: -31.001
bonds (distance) P-C4' energy: -36.759
flat angles C4'-P-C4' energy: -34.955
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: 0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -676.753632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.753632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.753632 (E_RNA)
where:
Base-Base interactions energy: -454.629
where: short stacking energy: -208.746
Base-Backbone interact. energy: -0.332
local terms energy: -221.792775
where:
bonds (distance) C4'-P energy: -38.332
bonds (distance) P-C4' energy: -41.696
flat angles C4'-P-C4' energy: -49.530
flat angles P-C4'-P energy: -30.230
tors. eta vs tors. theta energy: -62.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -675.551220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.551220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.551220 (E_RNA)
where:
Base-Base interactions energy: -462.551
where: short stacking energy: -189.944
Base-Backbone interact. energy: -0.871
local terms energy: -212.128694
where:
bonds (distance) C4'-P energy: -39.306
bonds (distance) P-C4' energy: -35.317
flat angles C4'-P-C4' energy: -43.585
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -63.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -657.778885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.778885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.778885 (E_RNA)
where:
Base-Base interactions energy: -463.506
where: short stacking energy: -180.225
Base-Backbone interact. energy: -0.405
local terms energy: -193.867715
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -34.983
flat angles P-C4'-P energy: -32.339
tors. eta vs tors. theta energy: -56.025
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: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -605.689776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.689776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.689776 (E_RNA)
where:
Base-Base interactions energy: -419.232
where: short stacking energy: -170.926
Base-Backbone interact. energy: -1.363
local terms energy: -185.093932
where:
bonds (distance) C4'-P energy: -36.950
bonds (distance) P-C4' energy: -35.575
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -47.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -548.080450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.080450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.080450 (E_RNA)
where:
Base-Base interactions energy: -370.789
where: short stacking energy: -151.754
Base-Backbone interact. energy: -0.434
local terms energy: -176.857457
where:
bonds (distance) C4'-P energy: -35.493
bonds (distance) P-C4' energy: -31.550
flat angles C4'-P-C4' energy: -38.510
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -41.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -543.202494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.202494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.202494 (E_RNA)
where:
Base-Base interactions energy: -377.307
where: short stacking energy: -155.894
Base-Backbone interact. energy: 0.882
local terms energy: -166.777182
where:
bonds (distance) C4'-P energy: -38.769
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -37.481
flat angles P-C4'-P energy: -28.550
tors. eta vs tors. theta energy: -44.240
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: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -320.683223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.683223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.683223 (E_RNA)
where:
Base-Base interactions energy: -170.383
where: short stacking energy: -81.488
Base-Backbone interact. energy: -0.264
local terms energy: -150.036557
where:
bonds (distance) C4'-P energy: -35.433
bonds (distance) P-C4' energy: -40.203
flat angles C4'-P-C4' energy: -35.295
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -217.181240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.181240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.181240 (E_RNA)
where:
Base-Base interactions energy: -104.286
where: short stacking energy: -62.724
Base-Backbone interact. energy: -0.917
local terms energy: -111.978121
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -33.280
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: 1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -186.209060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.209060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.209060 (E_RNA)
where:
Base-Base interactions energy: -72.430
where: short stacking energy: -65.434
Base-Backbone interact. energy: 2.475
local terms energy: -116.253398
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -36.559
flat angles C4'-P-C4' energy: -34.722
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -177.537466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.537466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.537466 (E_RNA)
where:
Base-Base interactions energy: -75.161
where: short stacking energy: -48.735
Base-Backbone interact. energy: 1.429
local terms energy: -103.805121
where:
bonds (distance) C4'-P energy: -34.325
bonds (distance) P-C4' energy: -31.338
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -12.528
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: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -677.546138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.546138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.546138 (E_RNA)
where:
Base-Base interactions energy: -471.713
where: short stacking energy: -210.627
Base-Backbone interact. energy: -0.234
local terms energy: -205.599206
where:
bonds (distance) C4'-P energy: -34.331
bonds (distance) P-C4' energy: -36.038
flat angles C4'-P-C4' energy: -40.869
flat angles P-C4'-P energy: -28.674
tors. eta vs tors. theta energy: -65.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -659.394400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.394400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.394400 (E_RNA)
where:
Base-Base interactions energy: -450.891
where: short stacking energy: -169.872
Base-Backbone interact. energy: -0.644
local terms energy: -207.859270
where:
bonds (distance) C4'-P energy: -45.004
bonds (distance) P-C4' energy: -33.705
flat angles C4'-P-C4' energy: -45.279
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: -55.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -673.601480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.601480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.601480 (E_RNA)
where:
Base-Base interactions energy: -468.658
where: short stacking energy: -191.404
Base-Backbone interact. energy: -0.811
local terms energy: -204.132187
where:
bonds (distance) C4'-P energy: -38.158
bonds (distance) P-C4' energy: -38.057
flat angles C4'-P-C4' energy: -44.933
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -59.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -607.462950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.462950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.462950 (E_RNA)
where:
Base-Base interactions energy: -418.080
where: short stacking energy: -155.723
Base-Backbone interact. energy: -1.074
local terms energy: -188.309089
where:
bonds (distance) C4'-P energy: -44.064
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -27.903
tors. eta vs tors. theta energy: -48.407
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: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -548.254161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.254161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.254161 (E_RNA)
where:
Base-Base interactions energy: -357.730
where: short stacking energy: -167.872
Base-Backbone interact. energy: -0.252
local terms energy: -190.272386
where:
bonds (distance) C4'-P energy: -42.017
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -35.992
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -53.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -545.866803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.866803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.866803 (E_RNA)
where:
Base-Base interactions energy: -364.584
where: short stacking energy: -157.700
Base-Backbone interact. energy: -0.764
local terms energy: -180.519274
where:
bonds (distance) C4'-P energy: -30.888
bonds (distance) P-C4' energy: -37.734
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -25.799
tors. eta vs tors. theta energy: -45.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -291.643330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.643330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.643330 (E_RNA)
where:
Base-Base interactions energy: -151.756
where: short stacking energy: -90.697
Base-Backbone interact. energy: -0.423
local terms energy: -139.463643
where:
bonds (distance) C4'-P energy: -33.290
bonds (distance) P-C4' energy: -31.184
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -26.731
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -200.950620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.950620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.950620 (E_RNA)
where:
Base-Base interactions energy: -76.838
where: short stacking energy: -61.402
Base-Backbone interact. energy: 0.087
local terms energy: -124.199712
where:
bonds (distance) C4'-P energy: -34.561
bonds (distance) P-C4' energy: -39.559
flat angles C4'-P-C4' energy: -35.146
flat angles P-C4'-P energy: -18.864
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: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -194.028259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.028259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.028259 (E_RNA)
where:
Base-Base interactions energy: -67.381
where: short stacking energy: -69.509
Base-Backbone interact. energy: -0.555
local terms energy: -126.092773
where:
bonds (distance) C4'-P energy: -32.389
bonds (distance) P-C4' energy: -28.680
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -28.747
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -170.553991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.553991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.553991 (E_RNA)
where:
Base-Base interactions energy: -68.560
where: short stacking energy: -62.044
Base-Backbone interact. energy: 4.057
local terms energy: -106.050492
where:
bonds (distance) C4'-P energy: -40.323
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -29.129
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: 5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -675.195191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.195191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.195191 (E_RNA)
where:
Base-Base interactions energy: -464.164
where: short stacking energy: -198.333
Base-Backbone interact. energy: -0.702
local terms energy: -210.329297
where:
bonds (distance) C4'-P energy: -39.806
bonds (distance) P-C4' energy: -40.157
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -61.229
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: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -659.270937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.270937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.270937 (E_RNA)
where:
Base-Base interactions energy: -461.903
where: short stacking energy: -182.826
Base-Backbone interact. energy: -1.347
local terms energy: -196.020398
where:
bonds (distance) C4'-P energy: -34.186
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -42.226
flat angles P-C4'-P energy: -28.732
tors. eta vs tors. theta energy: -51.934
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: 376
Temperature: 1.000000
Total energy: -667.187447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.187447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.187447 (E_RNA)
where:
Base-Base interactions energy: -467.734
where: short stacking energy: -197.822
Base-Backbone interact. energy: -0.844
local terms energy: -198.608790
where:
bonds (distance) C4'-P energy: -26.552
bonds (distance) P-C4' energy: -41.901
flat angles C4'-P-C4' energy: -41.776
flat angles P-C4'-P energy: -29.282
tors. eta vs tors. theta energy: -59.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -600.550080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.550080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.550080 (E_RNA)
where:
Base-Base interactions energy: -417.398
where: short stacking energy: -151.357
Base-Backbone interact. energy: -1.580
local terms energy: -181.572190
where:
bonds (distance) C4'-P energy: -35.908
bonds (distance) P-C4' energy: -29.739
flat angles C4'-P-C4' energy: -44.977
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -44.186
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: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -567.873787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.873787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.873787 (E_RNA)
where:
Base-Base interactions energy: -393.125
where: short stacking energy: -161.525
Base-Backbone interact. energy: -0.287
local terms energy: -174.461281
where:
bonds (distance) C4'-P energy: -35.918
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -42.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -537.486834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.486834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.486834 (E_RNA)
where:
Base-Base interactions energy: -360.713
where: short stacking energy: -137.063
Base-Backbone interact. energy: 2.251
local terms energy: -179.025125
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -37.274
flat angles C4'-P-C4' energy: -46.257
flat angles P-C4'-P energy: -36.272
tors. eta vs tors. theta energy: -38.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -309.536473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.536473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.536473 (E_RNA)
where:
Base-Base interactions energy: -159.643
where: short stacking energy: -88.242
Base-Backbone interact. energy: 3.019
local terms energy: -152.912642
where:
bonds (distance) C4'-P energy: -38.289
bonds (distance) P-C4' energy: -39.605
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -31.625
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -207.990443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.990443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.990443 (E_RNA)
where:
Base-Base interactions energy: -85.197
where: short stacking energy: -83.072
Base-Backbone interact. energy: -0.198
local terms energy: -122.595249
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -34.304
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -205.615784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.615784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.615784 (E_RNA)
where:
Base-Base interactions energy: -55.959
where: short stacking energy: -50.006
Base-Backbone interact. energy: -0.826
local terms energy: -148.830890
where:
bonds (distance) C4'-P energy: -42.019
bonds (distance) P-C4' energy: -41.953
flat angles C4'-P-C4' energy: -25.670
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -10.366
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: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -171.762950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.762950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.762950 (E_RNA)
where:
Base-Base interactions energy: -57.964
where: short stacking energy: -45.901
Base-Backbone interact. energy: -0.464
local terms energy: -113.334858
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -22.278
tors. eta vs tors. theta energy: 0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -686.666858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.666858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.666858 (E_RNA)
where:
Base-Base interactions energy: -454.663
where: short stacking energy: -201.185
Base-Backbone interact. energy: -0.227
local terms energy: -231.776917
where:
bonds (distance) C4'-P energy: -43.828
bonds (distance) P-C4' energy: -45.524
flat angles C4'-P-C4' energy: -47.191
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -64.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -656.122874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.122874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.122874 (E_RNA)
where:
Base-Base interactions energy: -451.962
where: short stacking energy: -181.568
Base-Backbone interact. energy: -0.359
local terms energy: -203.802546
where:
bonds (distance) C4'-P energy: -37.370
bonds (distance) P-C4' energy: -43.595
flat angles C4'-P-C4' energy: -40.339
flat angles P-C4'-P energy: -26.093
tors. eta vs tors. theta energy: -56.405
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: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -648.362696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.362696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.362696 (E_RNA)
where:
Base-Base interactions energy: -460.024
where: short stacking energy: -178.051
Base-Backbone interact. energy: -0.036
local terms energy: -188.302970
where:
bonds (distance) C4'-P energy: -39.653
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -39.110
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: -49.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -598.425394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.425394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.425394 (E_RNA)
where:
Base-Base interactions energy: -415.586
where: short stacking energy: -160.109
Base-Backbone interact. energy: -1.066
local terms energy: -181.772753
where:
bonds (distance) C4'-P energy: -36.528
bonds (distance) P-C4' energy: -36.810
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -29.686
tors. eta vs tors. theta energy: -44.981
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: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -555.183892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.183892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.183892 (E_RNA)
where:
Base-Base interactions energy: -373.780
where: short stacking energy: -162.115
Base-Backbone interact. energy: -0.587
local terms energy: -180.816693
where:
bonds (distance) C4'-P energy: -39.163
bonds (distance) P-C4' energy: -37.391
flat angles C4'-P-C4' energy: -39.501
flat angles P-C4'-P energy: -23.006
tors. eta vs tors. theta energy: -41.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -512.119286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.119286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.119286 (E_RNA)
where:
Base-Base interactions energy: -354.758
where: short stacking energy: -152.569
Base-Backbone interact. energy: -0.973
local terms energy: -156.388068
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -35.645
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -36.536
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: 377
Temperature: 1.200000
Total energy: -325.666363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.666363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.666363 (E_RNA)
where:
Base-Base interactions energy: -190.479
where: short stacking energy: -99.947
Base-Backbone interact. energy: 1.393
local terms energy: -136.581064
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -39.770
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -195.968059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.968059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.968059 (E_RNA)
where:
Base-Base interactions energy: -66.581
where: short stacking energy: -52.475
Base-Backbone interact. energy: 2.622
local terms energy: -132.008958
where:
bonds (distance) C4'-P energy: -38.750
bonds (distance) P-C4' energy: -37.012
flat angles C4'-P-C4' energy: -35.233
flat angles P-C4'-P energy: -16.833
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -182.048940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.048940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.048940 (E_RNA)
where:
Base-Base interactions energy: -62.203
where: short stacking energy: -56.422
Base-Backbone interact. energy: -0.314
local terms energy: -119.531413
where:
bonds (distance) C4'-P energy: -32.426
bonds (distance) P-C4' energy: -41.028
flat angles C4'-P-C4' energy: -30.130
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -171.013238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.013238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.013238 (E_RNA)
where:
Base-Base interactions energy: -51.134
where: short stacking energy: -45.082
Base-Backbone interact. energy: 1.778
local terms energy: -121.656524
where:
bonds (distance) C4'-P energy: -38.511
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -24.409
tors. eta vs tors. theta energy: 2.339
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: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -677.878695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.878695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.878695 (E_RNA)
where:
Base-Base interactions energy: -451.508
where: short stacking energy: -207.164
Base-Backbone interact. energy: -0.005
local terms energy: -226.365117
where:
bonds (distance) C4'-P energy: -40.211
bonds (distance) P-C4' energy: -42.580
flat angles C4'-P-C4' energy: -43.730
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -68.038
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: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -655.251060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.251060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.251060 (E_RNA)
where:
Base-Base interactions energy: -443.633
where: short stacking energy: -177.646
Base-Backbone interact. energy: -1.004
local terms energy: -210.614370
where:
bonds (distance) C4'-P energy: -44.125
bonds (distance) P-C4' energy: -39.659
flat angles C4'-P-C4' energy: -40.934
flat angles P-C4'-P energy: -27.287
tors. eta vs tors. theta energy: -58.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -625.722469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.722469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.722469 (E_RNA)
where:
Base-Base interactions energy: -420.490
where: short stacking energy: -181.902
Base-Backbone interact. energy: -1.084
local terms energy: -204.148298
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -44.070
flat angles C4'-P-C4' energy: -48.281
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -50.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -654.792917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.792917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.792917 (E_RNA)
where:
Base-Base interactions energy: -451.045
where: short stacking energy: -184.068
Base-Backbone interact. energy: 0.254
local terms energy: -204.002280
where:
bonds (distance) C4'-P energy: -32.067
bonds (distance) P-C4' energy: -41.063
flat angles C4'-P-C4' energy: -44.728
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -57.907
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: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -565.884805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.884805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.884805 (E_RNA)
where:
Base-Base interactions energy: -376.529
where: short stacking energy: -167.468
Base-Backbone interact. energy: -0.395
local terms energy: -188.961250
where:
bonds (distance) C4'-P energy: -33.848
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -42.877
flat angles P-C4'-P energy: -28.231
tors. eta vs tors. theta energy: -47.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -519.511360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.511360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.511360 (E_RNA)
where:
Base-Base interactions energy: -352.698
where: short stacking energy: -138.047
Base-Backbone interact. energy: -0.602
local terms energy: -166.211212
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -41.785
flat angles C4'-P-C4' energy: -34.486
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -34.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -339.545258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.545258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.545258 (E_RNA)
where:
Base-Base interactions energy: -197.762
where: short stacking energy: -93.820
Base-Backbone interact. energy: 1.806
local terms energy: -143.589084
where:
bonds (distance) C4'-P energy: -36.617
bonds (distance) P-C4' energy: -37.443
flat angles C4'-P-C4' energy: -32.971
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -189.456421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.456421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.456421 (E_RNA)
where:
Base-Base interactions energy: -84.026
where: short stacking energy: -51.983
Base-Backbone interact. energy: -1.354
local terms energy: -104.076282
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -36.514
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: 0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -176.570328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.570328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.570328 (E_RNA)
where:
Base-Base interactions energy: -55.226
where: short stacking energy: -47.575
Base-Backbone interact. energy: 0.157
local terms energy: -121.500888
where:
bonds (distance) C4'-P energy: -35.444
bonds (distance) P-C4' energy: -34.661
flat angles C4'-P-C4' energy: -38.553
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: 4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -174.091830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.091830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.091830 (E_RNA)
where:
Base-Base interactions energy: -53.356
where: short stacking energy: -45.655
Base-Backbone interact. energy: -0.440
local terms energy: -120.296009
where:
bonds (distance) C4'-P energy: -34.810
bonds (distance) P-C4' energy: -36.022
flat angles C4'-P-C4' energy: -38.698
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: 2.451
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: 379
Temperature: 0.900000
Total energy: -686.863980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.863980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.863980 (E_RNA)
where:
Base-Base interactions energy: -464.967
where: short stacking energy: -202.703
Base-Backbone interact. energy: -0.133
local terms energy: -221.763762
where:
bonds (distance) C4'-P energy: -39.645
bonds (distance) P-C4' energy: -37.679
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -65.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -669.840024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.840024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.840024 (E_RNA)
where:
Base-Base interactions energy: -454.013
where: short stacking energy: -188.661
Base-Backbone interact. energy: -0.937
local terms energy: -214.890529
where:
bonds (distance) C4'-P energy: -40.899
bonds (distance) P-C4' energy: -35.186
flat angles C4'-P-C4' energy: -44.930
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -60.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -630.161783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.161783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.161783 (E_RNA)
where:
Base-Base interactions energy: -439.845
where: short stacking energy: -180.766
Base-Backbone interact. energy: -0.783
local terms energy: -189.533802
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -45.826
flat angles C4'-P-C4' energy: -41.884
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -46.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -647.400951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.400951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.400951 (E_RNA)
where:
Base-Base interactions energy: -460.240
where: short stacking energy: -187.898
Base-Backbone interact. energy: -0.025
local terms energy: -187.135956
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -36.605
flat angles C4'-P-C4' energy: -35.115
flat angles P-C4'-P energy: -25.735
tors. eta vs tors. theta energy: -56.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -555.742844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.742844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.742844 (E_RNA)
where:
Base-Base interactions energy: -363.672
where: short stacking energy: -165.986
Base-Backbone interact. energy: 0.638
local terms energy: -192.708682
where:
bonds (distance) C4'-P energy: -36.059
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -45.690
flat angles P-C4'-P energy: -27.126
tors. eta vs tors. theta energy: -49.565
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: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -543.012357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.012357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.012357 (E_RNA)
where:
Base-Base interactions energy: -360.399
where: short stacking energy: -165.321
Base-Backbone interact. energy: -0.640
local terms energy: -181.973363
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -34.306
flat angles C4'-P-C4' energy: -41.882
flat angles P-C4'-P energy: -24.137
tors. eta vs tors. theta energy: -51.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -335.927653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.927653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.927653 (E_RNA)
where:
Base-Base interactions energy: -194.360
where: short stacking energy: -103.659
Base-Backbone interact. energy: -0.776
local terms energy: -140.791782
where:
bonds (distance) C4'-P energy: -36.301
bonds (distance) P-C4' energy: -29.825
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -20.525
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: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -208.619248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.619248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.619248 (E_RNA)
where:
Base-Base interactions energy: -89.501
where: short stacking energy: -74.650
Base-Backbone interact. energy: 2.265
local terms energy: -121.383617
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -42.614
flat angles C4'-P-C4' energy: -27.306
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -176.559926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.559926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.559926 (E_RNA)
where:
Base-Base interactions energy: -66.313
where: short stacking energy: -42.456
Base-Backbone interact. energy: -0.906
local terms energy: -109.340434
where:
bonds (distance) C4'-P energy: -37.378
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: 3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -178.849004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.849004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.849004 (E_RNA)
where:
Base-Base interactions energy: -61.620
where: short stacking energy: -46.956
Base-Backbone interact. energy: -0.199
local terms energy: -117.029439
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -36.538
flat angles C4'-P-C4' energy: -36.020
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: 5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -688.841978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.841978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.841978 (E_RNA)
where:
Base-Base interactions energy: -470.754
where: short stacking energy: -210.354
Base-Backbone interact. energy: -0.540
local terms energy: -217.548213
where:
bonds (distance) C4'-P energy: -41.809
bonds (distance) P-C4' energy: -30.451
flat angles C4'-P-C4' energy: -45.847
flat angles P-C4'-P energy: -33.885
tors. eta vs tors. theta energy: -65.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -676.486940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.486940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.486940 (E_RNA)
where:
Base-Base interactions energy: -472.892
where: short stacking energy: -183.505
Base-Backbone interact. energy: -1.076
local terms energy: -202.519707
where:
bonds (distance) C4'-P energy: -34.180
bonds (distance) P-C4' energy: -42.511
flat angles C4'-P-C4' energy: -42.949
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: -52.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -639.278114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.278114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.278114 (E_RNA)
where:
Base-Base interactions energy: -448.399
where: short stacking energy: -188.060
Base-Backbone interact. energy: -0.384
local terms energy: -190.495625
where:
bonds (distance) C4'-P energy: -33.299
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -42.673
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -57.411
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: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -610.330629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.330629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.330629 (E_RNA)
where:
Base-Base interactions energy: -422.792
where: short stacking energy: -176.813
Base-Backbone interact. energy: -1.634
local terms energy: -185.904392
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -37.863
flat angles C4'-P-C4' energy: -40.139
flat angles P-C4'-P energy: -26.010
tors. eta vs tors. theta energy: -49.645
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: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -561.219010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.219010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.219010 (E_RNA)
where:
Base-Base interactions energy: -368.586
where: short stacking energy: -165.036
Base-Backbone interact. energy: -0.768
local terms energy: -191.865293
where:
bonds (distance) C4'-P energy: -35.647
bonds (distance) P-C4' energy: -40.316
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -52.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -536.673073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.673073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.673073 (E_RNA)
where:
Base-Base interactions energy: -353.854
where: short stacking energy: -151.238
Base-Backbone interact. energy: -1.223
local terms energy: -181.595764
where:
bonds (distance) C4'-P energy: -34.841
bonds (distance) P-C4' energy: -41.271
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -45.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -347.294171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.294171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.294171 (E_RNA)
where:
Base-Base interactions energy: -182.604
where: short stacking energy: -99.440
Base-Backbone interact. energy: -1.417
local terms energy: -163.273618
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -44.670
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -21.873
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: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -193.873213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.873213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.873213 (E_RNA)
where:
Base-Base interactions energy: -65.780
where: short stacking energy: -48.441
Base-Backbone interact. energy: 0.257
local terms energy: -128.349983
where:
bonds (distance) C4'-P energy: -36.245
bonds (distance) P-C4' energy: -34.969
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -27.000
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: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -194.009030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.009030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.009030 (E_RNA)
where:
Base-Base interactions energy: -77.742
where: short stacking energy: -62.653
Base-Backbone interact. energy: 3.357
local terms energy: -119.624313
where:
bonds (distance) C4'-P energy: -38.218
bonds (distance) P-C4' energy: -35.818
flat angles C4'-P-C4' energy: -30.771
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: 5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -179.331414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.331414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.331414 (E_RNA)
where:
Base-Base interactions energy: -60.116
where: short stacking energy: -45.479
Base-Backbone interact. energy: -0.744
local terms energy: -118.472169
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -22.508
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: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -694.800500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.800500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.800500 (E_RNA)
where:
Base-Base interactions energy: -478.514
where: short stacking energy: -221.021
Base-Backbone interact. energy: -0.012
local terms energy: -216.274662
where:
bonds (distance) C4'-P energy: -40.128
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -42.992
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -66.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -663.714649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.714649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.714649 (E_RNA)
where:
Base-Base interactions energy: -456.511
where: short stacking energy: -183.056
Base-Backbone interact. energy: -0.160
local terms energy: -207.043770
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -37.548
flat angles C4'-P-C4' energy: -47.482
flat angles P-C4'-P energy: -31.956
tors. eta vs tors. theta energy: -56.901
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: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -650.872218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.872218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.872218 (E_RNA)
where:
Base-Base interactions energy: -446.678
where: short stacking energy: -178.177
Base-Backbone interact. energy: -0.736
local terms energy: -203.458478
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -42.363
flat angles P-C4'-P energy: -25.054
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: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -589.384054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.384054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.384054 (E_RNA)
where:
Base-Base interactions energy: -413.179
where: short stacking energy: -169.181
Base-Backbone interact. energy: -0.786
local terms energy: -175.419011
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -48.526
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: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -547.460416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.460416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.460416 (E_RNA)
where:
Base-Base interactions energy: -366.758
where: short stacking energy: -156.275
Base-Backbone interact. energy: -0.246
local terms energy: -180.457078
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -31.709
flat angles C4'-P-C4' energy: -44.546
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -43.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -530.904157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.904157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.904157 (E_RNA)
where:
Base-Base interactions energy: -350.132
where: short stacking energy: -171.268
Base-Backbone interact. energy: 5.643
local terms energy: -186.415375
where:
bonds (distance) C4'-P energy: -41.420
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -37.707
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -45.668
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: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -294.533270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.533270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.533270 (E_RNA)
where:
Base-Base interactions energy: -152.242
where: short stacking energy: -95.107
Base-Backbone interact. energy: 4.274
local terms energy: -146.565250
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -44.892
flat angles P-C4'-P energy: -23.019
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -215.018019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.018019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.018019 (E_RNA)
where:
Base-Base interactions energy: -91.157
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.381
local terms energy: -123.479406
where:
bonds (distance) C4'-P energy: -40.344
bonds (distance) P-C4' energy: -35.588
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -206.737769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.737769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.737769 (E_RNA)
where:
Base-Base interactions energy: -86.234
where: short stacking energy: -67.076
Base-Backbone interact. energy: -0.952
local terms energy: -119.551109
where:
bonds (distance) C4'-P energy: -35.769
bonds (distance) P-C4' energy: -34.540
flat angles C4'-P-C4' energy: -35.042
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: 5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -159.135080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.135080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.135080 (E_RNA)
where:
Base-Base interactions energy: -49.461
where: short stacking energy: -28.844
Base-Backbone interact. energy: -1.308
local terms energy: -108.365943
where:
bonds (distance) C4'-P energy: -39.202
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: 15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -678.770263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.770263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.770263 (E_RNA)
where:
Base-Base interactions energy: -470.863
where: short stacking energy: -193.479
Base-Backbone interact. energy: -0.918
local terms energy: -206.989678
where:
bonds (distance) C4'-P energy: -38.972
bonds (distance) P-C4' energy: -42.308
flat angles C4'-P-C4' energy: -46.170
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: -57.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -693.042809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.042809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.042809 (E_RNA)
where:
Base-Base interactions energy: -467.624
where: short stacking energy: -203.952
Base-Backbone interact. energy: -0.545
local terms energy: -224.874020
where:
bonds (distance) C4'-P energy: -42.770
bonds (distance) P-C4' energy: -40.022
flat angles C4'-P-C4' energy: -43.678
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -64.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -663.776172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.776172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.776172 (E_RNA)
where:
Base-Base interactions energy: -450.989
where: short stacking energy: -179.196
Base-Backbone interact. energy: 1.586
local terms energy: -214.372901
where:
bonds (distance) C4'-P energy: -40.547
bonds (distance) P-C4' energy: -43.364
flat angles C4'-P-C4' energy: -41.054
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -55.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -585.449104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.449104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.449104 (E_RNA)
where:
Base-Base interactions energy: -422.434
where: short stacking energy: -163.733
Base-Backbone interact. energy: 1.498
local terms energy: -164.513989
where:
bonds (distance) C4'-P energy: -38.086
bonds (distance) P-C4' energy: -28.894
flat angles C4'-P-C4' energy: -34.908
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -49.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -550.982745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.982745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.982745 (E_RNA)
where:
Base-Base interactions energy: -368.218
where: short stacking energy: -147.228
Base-Backbone interact. energy: -0.742
local terms energy: -182.023064
where:
bonds (distance) C4'-P energy: -32.970
bonds (distance) P-C4' energy: -34.576
flat angles C4'-P-C4' energy: -44.963
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: -42.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -530.909116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.909116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.909116 (E_RNA)
where:
Base-Base interactions energy: -345.091
where: short stacking energy: -151.041
Base-Backbone interact. energy: -0.554
local terms energy: -185.264381
where:
bonds (distance) C4'-P energy: -35.619
bonds (distance) P-C4' energy: -37.001
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -31.486
tors. eta vs tors. theta energy: -47.684
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: 7, replica: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -299.726635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.726635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.726635 (E_RNA)
where:
Base-Base interactions energy: -164.873
where: short stacking energy: -102.475
Base-Backbone interact. energy: -0.781
local terms energy: -134.072407
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -37.149
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -192.702743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.702743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.702743 (E_RNA)
where:
Base-Base interactions energy: -76.308
where: short stacking energy: -50.096
Base-Backbone interact. energy: -0.975
local terms energy: -115.419470
where:
bonds (distance) C4'-P energy: -26.099
bonds (distance) P-C4' energy: -40.680
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -309.637056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.637056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.637056 (E_RNA)
where:
Base-Base interactions energy: -168.417
where: short stacking energy: -105.282
Base-Backbone interact. energy: -1.366
local terms energy: -139.854132
where:
bonds (distance) C4'-P energy: -34.676
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -178.667449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.667449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.667449 (E_RNA)
where:
Base-Base interactions energy: -57.403
where: short stacking energy: -41.322
Base-Backbone interact. energy: -0.531
local terms energy: -120.733958
where:
bonds (distance) C4'-P energy: -38.903
bonds (distance) P-C4' energy: -38.883
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -686.979480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.979480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.979480 (E_RNA)
where:
Base-Base interactions energy: -466.974
where: short stacking energy: -200.775
Base-Backbone interact. energy: -2.012
local terms energy: -217.993213
where:
bonds (distance) C4'-P energy: -41.789
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -45.319
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -59.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -695.180779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.180779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.180779 (E_RNA)
where:
Base-Base interactions energy: -474.325
where: short stacking energy: -210.878
Base-Backbone interact. energy: -0.124
local terms energy: -220.731639
where:
bonds (distance) C4'-P energy: -38.932
bonds (distance) P-C4' energy: -40.558
flat angles C4'-P-C4' energy: -44.187
flat angles P-C4'-P energy: -35.125
tors. eta vs tors. theta energy: -61.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -660.347923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.347923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.347923 (E_RNA)
where:
Base-Base interactions energy: -453.714
where: short stacking energy: -178.671
Base-Backbone interact. energy: -1.369
local terms energy: -205.265455
where:
bonds (distance) C4'-P energy: -40.074
bonds (distance) P-C4' energy: -37.028
flat angles C4'-P-C4' energy: -45.101
flat angles P-C4'-P energy: -31.209
tors. eta vs tors. theta energy: -51.853
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: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -595.624536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.624536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.624536 (E_RNA)
where:
Base-Base interactions energy: -414.399
where: short stacking energy: -165.248
Base-Backbone interact. energy: -0.547
local terms energy: -180.677876
where:
bonds (distance) C4'-P energy: -33.629
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -40.458
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -49.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -533.666561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.666561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.666561 (E_RNA)
where:
Base-Base interactions energy: -354.469
where: short stacking energy: -156.066
Base-Backbone interact. energy: -0.368
local terms energy: -178.828862
where:
bonds (distance) C4'-P energy: -34.397
bonds (distance) P-C4' energy: -42.229
flat angles C4'-P-C4' energy: -38.285
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -46.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -537.508960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.508960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.508960 (E_RNA)
where:
Base-Base interactions energy: -339.206
where: short stacking energy: -157.707
Base-Backbone interact. energy: -0.703
local terms energy: -197.600595
where:
bonds (distance) C4'-P energy: -38.085
bonds (distance) P-C4' energy: -37.873
flat angles C4'-P-C4' energy: -43.114
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -45.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -302.749541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.749541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.749541 (E_RNA)
where:
Base-Base interactions energy: -154.254
where: short stacking energy: -100.660
Base-Backbone interact. energy: -0.829
local terms energy: -147.666021
where:
bonds (distance) C4'-P energy: -36.458
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -31.766
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -293.801003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.801003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.801003 (E_RNA)
where:
Base-Base interactions energy: -156.594
where: short stacking energy: -80.258
Base-Backbone interact. energy: 3.043
local terms energy: -140.250127
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -38.949
flat angles C4'-P-C4' energy: -36.530
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -7.825
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: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -178.046498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.046498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.046498 (E_RNA)
where:
Base-Base interactions energy: -67.182
where: short stacking energy: -45.601
Base-Backbone interact. energy: -0.120
local terms energy: -110.744415
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -182.581254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.581254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.581254 (E_RNA)
where:
Base-Base interactions energy: -64.953
where: short stacking energy: -42.699
Base-Backbone interact. energy: -1.588
local terms energy: -116.040038
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -38.255
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: 8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -682.748205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.748205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.748205 (E_RNA)
where:
Base-Base interactions energy: -477.753
where: short stacking energy: -191.895
Base-Backbone interact. energy: -1.341
local terms energy: -203.653713
where:
bonds (distance) C4'-P energy: -38.134
bonds (distance) P-C4' energy: -44.455
flat angles C4'-P-C4' energy: -39.721
flat angles P-C4'-P energy: -25.373
tors. eta vs tors. theta energy: -55.971
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: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -686.140798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.140798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.140798 (E_RNA)
where:
Base-Base interactions energy: -465.463
where: short stacking energy: -201.272
Base-Backbone interact. energy: -0.333
local terms energy: -220.344517
where:
bonds (distance) C4'-P energy: -40.219
bonds (distance) P-C4' energy: -36.114
flat angles C4'-P-C4' energy: -49.095
flat angles P-C4'-P energy: -32.586
tors. eta vs tors. theta energy: -62.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -653.681126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.681126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.681126 (E_RNA)
where:
Base-Base interactions energy: -443.101
where: short stacking energy: -175.051
Base-Backbone interact. energy: 1.183
local terms energy: -211.763189
where:
bonds (distance) C4'-P energy: -36.030
bonds (distance) P-C4' energy: -40.364
flat angles C4'-P-C4' energy: -41.249
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: -61.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -596.792977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.792977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.792977 (E_RNA)
where:
Base-Base interactions energy: -410.291
where: short stacking energy: -168.834
Base-Backbone interact. energy: -1.630
local terms energy: -184.871603
where:
bonds (distance) C4'-P energy: -36.363
bonds (distance) P-C4' energy: -43.972
flat angles C4'-P-C4' energy: -35.167
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -49.956
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: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -536.470783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.470783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.470783 (E_RNA)
where:
Base-Base interactions energy: -359.509
where: short stacking energy: -172.534
Base-Backbone interact. energy: -0.412
local terms energy: -176.549702
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -39.530
flat angles C4'-P-C4' energy: -40.764
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -45.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -536.089246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.089246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.089246 (E_RNA)
where:
Base-Base interactions energy: -365.070
where: short stacking energy: -154.772
Base-Backbone interact. energy: -1.681
local terms energy: -169.337832
where:
bonds (distance) C4'-P energy: -30.352
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -27.848
tors. eta vs tors. theta energy: -45.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -302.784454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.784454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.784454 (E_RNA)
where:
Base-Base interactions energy: -159.765
where: short stacking energy: -89.290
Base-Backbone interact. energy: -1.429
local terms energy: -141.591229
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -39.645
flat angles C4'-P-C4' energy: -32.675
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -289.933269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.933269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.933269 (E_RNA)
where:
Base-Base interactions energy: -146.543
where: short stacking energy: -80.436
Base-Backbone interact. energy: 1.206
local terms energy: -144.596069
where:
bonds (distance) C4'-P energy: -30.407
bonds (distance) P-C4' energy: -39.275
flat angles C4'-P-C4' energy: -39.423
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -11.667
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: 384
Temperature: 1.300000
Total energy: -188.957467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.957467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.957467 (E_RNA)
where:
Base-Base interactions energy: -62.075
where: short stacking energy: -54.625
Base-Backbone interact. energy: 0.111
local terms energy: -126.993282
where:
bonds (distance) C4'-P energy: -38.246
bonds (distance) P-C4' energy: -39.826
flat angles C4'-P-C4' energy: -27.019
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: 5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -172.511190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.511190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.511190 (E_RNA)
where:
Base-Base interactions energy: -61.028
where: short stacking energy: -44.880
Base-Backbone interact. energy: -0.026
local terms energy: -111.456755
where:
bonds (distance) C4'-P energy: -34.698
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -18.282
tors. eta vs tors. theta energy: 8.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -682.512244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.512244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.512244 (E_RNA)
where:
Base-Base interactions energy: -472.345
where: short stacking energy: -195.167
Base-Backbone interact. energy: -1.307
local terms energy: -208.859937
where:
bonds (distance) C4'-P energy: -41.020
bonds (distance) P-C4' energy: -39.876
flat angles C4'-P-C4' energy: -46.285
flat angles P-C4'-P energy: -25.614
tors. eta vs tors. theta energy: -56.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -667.044087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.044087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.044087 (E_RNA)
where:
Base-Base interactions energy: -441.118
where: short stacking energy: -181.822
Base-Backbone interact. energy: -1.176
local terms energy: -224.750011
where:
bonds (distance) C4'-P energy: -46.057
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -47.806
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -59.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -679.316769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.316769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.316769 (E_RNA)
where:
Base-Base interactions energy: -455.264
where: short stacking energy: -200.474
Base-Backbone interact. energy: -0.629
local terms energy: -223.423534
where:
bonds (distance) C4'-P energy: -44.358
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -42.454
flat angles P-C4'-P energy: -35.006
tors. eta vs tors. theta energy: -59.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -557.292558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.292558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.292558 (E_RNA)
where:
Base-Base interactions energy: -365.112
where: short stacking energy: -171.211
Base-Backbone interact. energy: -0.362
local terms energy: -191.817982
where:
bonds (distance) C4'-P energy: -34.423
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -42.176
flat angles P-C4'-P energy: -28.818
tors. eta vs tors. theta energy: -48.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -573.847123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.847123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.847123 (E_RNA)
where:
Base-Base interactions energy: -404.600
where: short stacking energy: -157.634
Base-Backbone interact. energy: -1.618
local terms energy: -167.629587
where:
bonds (distance) C4'-P energy: -33.452
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -33.792
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -47.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -533.173982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.173982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.173982 (E_RNA)
where:
Base-Base interactions energy: -357.712
where: short stacking energy: -147.015
Base-Backbone interact. energy: -0.693
local terms energy: -174.768057
where:
bonds (distance) C4'-P energy: -35.327
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -40.114
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -39.184
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: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -340.275388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.275388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.275388 (E_RNA)
where:
Base-Base interactions energy: -199.045
where: short stacking energy: -111.350
Base-Backbone interact. energy: -0.231
local terms energy: -140.999683
where:
bonds (distance) C4'-P energy: -39.079
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -263.230189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.230189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.230189 (E_RNA)
where:
Base-Base interactions energy: -143.526
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.849
local terms energy: -118.854837
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -42.544
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -20.425
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: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -171.886614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.886614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.886614 (E_RNA)
where:
Base-Base interactions energy: -58.350
where: short stacking energy: -54.592
Base-Backbone interact. energy: 2.902
local terms energy: -116.438032
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -37.566
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -20.391
tors. eta vs tors. theta energy: 3.600
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: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -173.251945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.251945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.251945 (E_RNA)
where:
Base-Base interactions energy: -58.015
where: short stacking energy: -50.529
Base-Backbone interact. energy: -0.213
local terms energy: -115.023582
where:
bonds (distance) C4'-P energy: -34.470
bonds (distance) P-C4' energy: -41.485
flat angles C4'-P-C4' energy: -32.604
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: 5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -690.651455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.651455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.651455 (E_RNA)
where:
Base-Base interactions energy: -475.260
where: short stacking energy: -189.483
Base-Backbone interact. energy: 2.654
local terms energy: -218.045795
where:
bonds (distance) C4'-P energy: -44.780
bonds (distance) P-C4' energy: -38.934
flat angles C4'-P-C4' energy: -40.844
flat angles P-C4'-P energy: -33.092
tors. eta vs tors. theta energy: -60.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -660.245102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.245102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.245102 (E_RNA)
where:
Base-Base interactions energy: -453.777
where: short stacking energy: -174.916
Base-Backbone interact. energy: -1.154
local terms energy: -205.314332
where:
bonds (distance) C4'-P energy: -40.687
bonds (distance) P-C4' energy: -42.865
flat angles C4'-P-C4' energy: -43.835
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: -52.294
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: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -666.810107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.810107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.810107 (E_RNA)
where:
Base-Base interactions energy: -456.060
where: short stacking energy: -206.166
Base-Backbone interact. energy: -0.110
local terms energy: -210.639796
where:
bonds (distance) C4'-P energy: -41.215
bonds (distance) P-C4' energy: -32.375
flat angles C4'-P-C4' energy: -39.245
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -68.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -576.069323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.069323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.069323 (E_RNA)
where:
Base-Base interactions energy: -377.080
where: short stacking energy: -156.868
Base-Backbone interact. energy: 0.011
local terms energy: -199.000249
where:
bonds (distance) C4'-P energy: -39.346
bonds (distance) P-C4' energy: -40.877
flat angles C4'-P-C4' energy: -39.558
flat angles P-C4'-P energy: -30.812
tors. eta vs tors. theta energy: -48.407
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: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -613.365216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.365216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.365216 (E_RNA)
where:
Base-Base interactions energy: -417.720
where: short stacking energy: -166.039
Base-Backbone interact. energy: -1.519
local terms energy: -194.126008
where:
bonds (distance) C4'-P energy: -34.387
bonds (distance) P-C4' energy: -40.150
flat angles C4'-P-C4' energy: -38.203
flat angles P-C4'-P energy: -30.138
tors. eta vs tors. theta energy: -51.248
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: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -541.879311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.879311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.879311 (E_RNA)
where:
Base-Base interactions energy: -360.236
where: short stacking energy: -160.240
Base-Backbone interact. energy: -1.881
local terms energy: -179.762050
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -39.058
flat angles C4'-P-C4' energy: -39.063
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -47.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -331.389234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.389234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.389234 (E_RNA)
where:
Base-Base interactions energy: -187.441
where: short stacking energy: -95.194
Base-Backbone interact. energy: -1.216
local terms energy: -142.731466
where:
bonds (distance) C4'-P energy: -37.177
bonds (distance) P-C4' energy: -35.714
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -16.015
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: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -212.280233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.280233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.280233 (E_RNA)
where:
Base-Base interactions energy: -94.092
where: short stacking energy: -63.034
Base-Backbone interact. energy: -0.884
local terms energy: -117.304193
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -31.664
flat angles C4'-P-C4' energy: -38.166
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -182.083706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.083706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.083706 (E_RNA)
where:
Base-Base interactions energy: -62.603
where: short stacking energy: -53.801
Base-Backbone interact. energy: -1.057
local terms energy: -118.423600
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -41.642
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -3.856
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: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -176.652655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.652655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.652655 (E_RNA)
where:
Base-Base interactions energy: -50.388
where: short stacking energy: -39.189
Base-Backbone interact. energy: -1.688
local terms energy: -124.576418
where:
bonds (distance) C4'-P energy: -39.983
bonds (distance) P-C4' energy: -41.905
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: 1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -693.722555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.722555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.722555 (E_RNA)
where:
Base-Base interactions energy: -477.926
where: short stacking energy: -190.822
Base-Backbone interact. energy: -1.018
local terms energy: -214.778838
where:
bonds (distance) C4'-P energy: -44.781
bonds (distance) P-C4' energy: -34.062
flat angles C4'-P-C4' energy: -41.247
flat angles P-C4'-P energy: -29.468
tors. eta vs tors. theta energy: -65.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -667.217403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.217403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.217403 (E_RNA)
where:
Base-Base interactions energy: -458.021
where: short stacking energy: -199.916
Base-Backbone interact. energy: -0.076
local terms energy: -209.120557
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -59.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -642.636646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.636646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.636646 (E_RNA)
where:
Base-Base interactions energy: -446.964
where: short stacking energy: -180.730
Base-Backbone interact. energy: 0.216
local terms energy: -195.889373
where:
bonds (distance) C4'-P energy: -39.225
bonds (distance) P-C4' energy: -32.045
flat angles C4'-P-C4' energy: -47.084
flat angles P-C4'-P energy: -22.288
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: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -586.064713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.064713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.064713 (E_RNA)
where:
Base-Base interactions energy: -419.993
where: short stacking energy: -160.610
Base-Backbone interact. energy: -0.979
local terms energy: -165.092002
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -45.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -571.759346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.759346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.759346 (E_RNA)
where:
Base-Base interactions energy: -375.487
where: short stacking energy: -162.064
Base-Backbone interact. energy: -0.502
local terms energy: -195.770490
where:
bonds (distance) C4'-P energy: -37.404
bonds (distance) P-C4' energy: -34.049
flat angles C4'-P-C4' energy: -35.781
flat angles P-C4'-P energy: -32.155
tors. eta vs tors. theta energy: -56.382
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: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -535.446828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.446828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.446828 (E_RNA)
where:
Base-Base interactions energy: -353.987
where: short stacking energy: -156.345
Base-Backbone interact. energy: -0.891
local terms energy: -180.568587
where:
bonds (distance) C4'-P energy: -35.474
bonds (distance) P-C4' energy: -42.229
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -46.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -321.604368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.604368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.604368 (E_RNA)
where:
Base-Base interactions energy: -172.487
where: short stacking energy: -103.275
Base-Backbone interact. energy: -2.048
local terms energy: -147.069738
where:
bonds (distance) C4'-P energy: -35.225
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -38.177
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -247.778409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.778409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.778409 (E_RNA)
where:
Base-Base interactions energy: -102.871
where: short stacking energy: -62.106
Base-Backbone interact. energy: -2.170
local terms energy: -142.737657
where:
bonds (distance) C4'-P energy: -31.944
bonds (distance) P-C4' energy: -40.871
flat angles C4'-P-C4' energy: -38.077
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -180.386854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.386854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.386854 (E_RNA)
where:
Base-Base interactions energy: -62.678
where: short stacking energy: -52.816
Base-Backbone interact. energy: -0.664
local terms energy: -117.045516
where:
bonds (distance) C4'-P energy: -32.320
bonds (distance) P-C4' energy: -42.170
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: 0.654
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: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -180.271856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.271856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.271856 (E_RNA)
where:
Base-Base interactions energy: -77.752
where: short stacking energy: -35.029
Base-Backbone interact. energy: -0.991
local terms energy: -101.529047
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -19.134
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: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -698.672134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.672134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.672134 (E_RNA)
where:
Base-Base interactions energy: -488.155
where: short stacking energy: -193.072
Base-Backbone interact. energy: -1.237
local terms energy: -209.279292
where:
bonds (distance) C4'-P energy: -45.110
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -41.351
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -58.453
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: 388
Temperature: 0.950000
Total energy: -675.512906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.512906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.512906 (E_RNA)
where:
Base-Base interactions energy: -456.652
where: short stacking energy: -200.850
Base-Backbone interact. energy: 0.019
local terms energy: -218.880556
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -41.113
flat angles C4'-P-C4' energy: -46.413
flat angles P-C4'-P energy: -32.646
tors. eta vs tors. theta energy: -62.392
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: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -652.253554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.253554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.253554 (E_RNA)
where:
Base-Base interactions energy: -458.230
where: short stacking energy: -181.747
Base-Backbone interact. energy: -0.571
local terms energy: -193.452148
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -38.836
flat angles C4'-P-C4' energy: -47.149
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -49.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -586.424752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.424752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.424752 (E_RNA)
where:
Base-Base interactions energy: -395.620
where: short stacking energy: -154.280
Base-Backbone interact. energy: -0.839
local terms energy: -189.965059
where:
bonds (distance) C4'-P energy: -36.280
bonds (distance) P-C4' energy: -43.750
flat angles C4'-P-C4' energy: -40.860
flat angles P-C4'-P energy: -25.972
tors. eta vs tors. theta energy: -43.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -574.348981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.348981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.348981 (E_RNA)
where:
Base-Base interactions energy: -381.147
where: short stacking energy: -164.932
Base-Backbone interact. energy: -1.217
local terms energy: -191.985463
where:
bonds (distance) C4'-P energy: -35.001
bonds (distance) P-C4' energy: -40.102
flat angles C4'-P-C4' energy: -36.375
flat angles P-C4'-P energy: -27.741
tors. eta vs tors. theta energy: -52.767
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: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -529.377745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.377745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.377745 (E_RNA)
where:
Base-Base interactions energy: -346.502
where: short stacking energy: -151.974
Base-Backbone interact. energy: -1.525
local terms energy: -181.351372
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -41.387
flat angles C4'-P-C4' energy: -36.689
flat angles P-C4'-P energy: -26.136
tors. eta vs tors. theta energy: -43.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -293.997231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.997231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.997231 (E_RNA)
where:
Base-Base interactions energy: -148.901
where: short stacking energy: -82.199
Base-Backbone interact. energy: 1.005
local terms energy: -146.101768
where:
bonds (distance) C4'-P energy: -29.537
bonds (distance) P-C4' energy: -40.539
flat angles C4'-P-C4' energy: -39.645
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -213.324507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.324507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.324507 (E_RNA)
where:
Base-Base interactions energy: -101.416
where: short stacking energy: -56.589
Base-Backbone interact. energy: 0.512
local terms energy: -112.420039
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -42.066
flat angles C4'-P-C4' energy: -35.875
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: 2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -183.681196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.681196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.681196 (E_RNA)
where:
Base-Base interactions energy: -64.772
where: short stacking energy: -48.887
Base-Backbone interact. energy: -1.011
local terms energy: -117.898747
where:
bonds (distance) C4'-P energy: -31.162
bonds (distance) P-C4' energy: -35.031
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -180.318449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.318449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.318449 (E_RNA)
where:
Base-Base interactions energy: -52.510
where: short stacking energy: -51.613
Base-Backbone interact. energy: 1.893
local terms energy: -129.701416
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -39.608
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -702.877996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.877996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.877996 (E_RNA)
where:
Base-Base interactions energy: -487.955
where: short stacking energy: -196.604
Base-Backbone interact. energy: -0.692
local terms energy: -214.231538
where:
bonds (distance) C4'-P energy: -36.871
bonds (distance) P-C4' energy: -40.948
flat angles C4'-P-C4' energy: -47.041
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -63.084
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: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -689.259265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.259265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.259265 (E_RNA)
where:
Base-Base interactions energy: -470.340
where: short stacking energy: -196.154
Base-Backbone interact. energy: 1.144
local terms energy: -220.063834
where:
bonds (distance) C4'-P energy: -44.749
bonds (distance) P-C4' energy: -38.796
flat angles C4'-P-C4' energy: -46.648
flat angles P-C4'-P energy: -30.690
tors. eta vs tors. theta energy: -59.180
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: 389
Temperature: 1.000000
Total energy: -657.492365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.492365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.492365 (E_RNA)
where:
Base-Base interactions energy: -462.171
where: short stacking energy: -180.954
Base-Backbone interact. energy: -0.682
local terms energy: -194.639104
where:
bonds (distance) C4'-P energy: -35.221
bonds (distance) P-C4' energy: -42.266
flat angles C4'-P-C4' energy: -37.888
flat angles P-C4'-P energy: -31.877
tors. eta vs tors. theta energy: -47.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -577.879374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.879374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.879374 (E_RNA)
where:
Base-Base interactions energy: -398.754
where: short stacking energy: -157.043
Base-Backbone interact. energy: -1.070
local terms energy: -178.056186
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -40.133
flat angles P-C4'-P energy: -25.111
tors. eta vs tors. theta energy: -42.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -572.650532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.650532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.650532 (E_RNA)
where:
Base-Base interactions energy: -373.369
where: short stacking energy: -174.591
Base-Backbone interact. energy: -0.827
local terms energy: -198.455017
where:
bonds (distance) C4'-P energy: -38.259
bonds (distance) P-C4' energy: -35.714
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -55.416
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: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -483.940469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.940469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.940469 (E_RNA)
where:
Base-Base interactions energy: -316.333
where: short stacking energy: -132.336
Base-Backbone interact. energy: 0.216
local terms energy: -167.823602
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -43.452
flat angles C4'-P-C4' energy: -35.697
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -31.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -322.325630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.325630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.325630 (E_RNA)
where:
Base-Base interactions energy: -189.589
where: short stacking energy: -102.587
Base-Backbone interact. energy: 0.273
local terms energy: -133.009823
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -32.489
flat angles C4'-P-C4' energy: -30.579
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -18.137
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: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -200.637943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.637943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.637943 (E_RNA)
where:
Base-Base interactions energy: -82.500
where: short stacking energy: -49.495
Base-Backbone interact. energy: -1.415
local terms energy: -116.723113
where:
bonds (distance) C4'-P energy: -41.710
bonds (distance) P-C4' energy: -33.381
flat angles C4'-P-C4' energy: -33.869
flat angles P-C4'-P energy: -11.036
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: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -171.639530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.639530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.639530 (E_RNA)
where:
Base-Base interactions energy: -60.457
where: short stacking energy: -50.874
Base-Backbone interact. energy: -0.513
local terms energy: -110.669270
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -35.144
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: 6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -169.751876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.751876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.751876 (E_RNA)
where:
Base-Base interactions energy: -52.460
where: short stacking energy: -47.862
Base-Backbone interact. energy: -0.221
local terms energy: -117.071402
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -37.321
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -20.583
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -702.119435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.119435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.119435 (E_RNA)
where:
Base-Base interactions energy: -480.318
where: short stacking energy: -194.963
Base-Backbone interact. energy: -0.828
local terms energy: -220.973550
where:
bonds (distance) C4'-P energy: -38.502
bonds (distance) P-C4' energy: -47.866
flat angles C4'-P-C4' energy: -38.971
flat angles P-C4'-P energy: -35.004
tors. eta vs tors. theta energy: -60.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -683.574468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.574468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.574468 (E_RNA)
where:
Base-Base interactions energy: -475.244
where: short stacking energy: -203.697
Base-Backbone interact. energy: -0.753
local terms energy: -207.577183
where:
bonds (distance) C4'-P energy: -41.506
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -45.163
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -60.429
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: 390
Temperature: 1.000000
Total energy: -661.176989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.176989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.176989 (E_RNA)
where:
Base-Base interactions energy: -462.699
where: short stacking energy: -188.092
Base-Backbone interact. energy: -0.461
local terms energy: -198.016289
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -40.483
flat angles C4'-P-C4' energy: -45.792
flat angles P-C4'-P energy: -29.747
tors. eta vs tors. theta energy: -52.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -594.584668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.584668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.584668 (E_RNA)
where:
Base-Base interactions energy: -421.388
where: short stacking energy: -171.290
Base-Backbone interact. energy: 4.529
local terms energy: -177.725108
where:
bonds (distance) C4'-P energy: -35.762
bonds (distance) P-C4' energy: -40.457
flat angles C4'-P-C4' energy: -37.924
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -45.334
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: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -561.135428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.135428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.135428 (E_RNA)
where:
Base-Base interactions energy: -380.149
where: short stacking energy: -159.632
Base-Backbone interact. energy: -1.609
local terms energy: -179.377939
where:
bonds (distance) C4'-P energy: -33.398
bonds (distance) P-C4' energy: -38.591
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -26.207
tors. eta vs tors. theta energy: -49.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -492.226274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.226274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.226274 (E_RNA)
where:
Base-Base interactions energy: -324.552
where: short stacking energy: -136.600
Base-Backbone interact. energy: -0.814
local terms energy: -166.860100
where:
bonds (distance) C4'-P energy: -28.143
bonds (distance) P-C4' energy: -41.044
flat angles C4'-P-C4' energy: -42.862
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -40.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -341.718608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.718608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.718608 (E_RNA)
where:
Base-Base interactions energy: -196.410
where: short stacking energy: -107.266
Base-Backbone interact. energy: 4.106
local terms energy: -149.414003
where:
bonds (distance) C4'-P energy: -37.229
bonds (distance) P-C4' energy: -32.681
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -196.577793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.577793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.577793 (E_RNA)
where:
Base-Base interactions energy: -62.472
where: short stacking energy: -62.110
Base-Backbone interact. energy: 2.389
local terms energy: -136.493928
where:
bonds (distance) C4'-P energy: -30.097
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -31.019
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -203.830798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.830798 (E_RNA)
where:
Base-Base interactions energy: -85.125
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.513
local terms energy: -118.192864
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -40.408
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -181.252893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.252893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.252893 (E_RNA)
where:
Base-Base interactions energy: -47.897
where: short stacking energy: -39.533
Base-Backbone interact. energy: -0.488
local terms energy: -132.868552
where:
bonds (distance) C4'-P energy: -34.279
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -680.876364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.876364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.876364 (E_RNA)
where:
Base-Base interactions energy: -462.599
where: short stacking energy: -185.592
Base-Backbone interact. energy: -2.816
local terms energy: -215.461200
where:
bonds (distance) C4'-P energy: -36.494
bonds (distance) P-C4' energy: -44.584
flat angles C4'-P-C4' energy: -43.476
flat angles P-C4'-P energy: -29.789
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: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -685.933626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.933626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.933626 (E_RNA)
where:
Base-Base interactions energy: -465.757
where: short stacking energy: -213.947
Base-Backbone interact. energy: -0.375
local terms energy: -219.801221
where:
bonds (distance) C4'-P energy: -42.906
bonds (distance) P-C4' energy: -38.698
flat angles C4'-P-C4' energy: -48.625
flat angles P-C4'-P energy: -32.611
tors. eta vs tors. theta energy: -56.961
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: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -661.842988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.842988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.842988 (E_RNA)
where:
Base-Base interactions energy: -465.928
where: short stacking energy: -175.957
Base-Backbone interact. energy: -0.822
local terms energy: -195.092330
where:
bonds (distance) C4'-P energy: -38.235
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -41.062
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: -50.956
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: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -586.934819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.934819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.934819 (E_RNA)
where:
Base-Base interactions energy: -407.981
where: short stacking energy: -164.276
Base-Backbone interact. energy: -0.869
local terms energy: -178.085422
where:
bonds (distance) C4'-P energy: -34.024
bonds (distance) P-C4' energy: -34.481
flat angles C4'-P-C4' energy: -35.852
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -49.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -563.267135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.267135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.267135 (E_RNA)
where:
Base-Base interactions energy: -369.664
where: short stacking energy: -175.201
Base-Backbone interact. energy: -0.289
local terms energy: -193.314097
where:
bonds (distance) C4'-P energy: -39.301
bonds (distance) P-C4' energy: -37.485
flat angles C4'-P-C4' energy: -35.584
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -53.887
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: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -507.862991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.862991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.862991 (E_RNA)
where:
Base-Base interactions energy: -342.697
where: short stacking energy: -140.496
Base-Backbone interact. energy: 0.125
local terms energy: -165.290816
where:
bonds (distance) C4'-P energy: -33.786
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -44.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -354.587545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.587545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.587545 (E_RNA)
where:
Base-Base interactions energy: -208.061
where: short stacking energy: -100.537
Base-Backbone interact. energy: -1.010
local terms energy: -145.516474
where:
bonds (distance) C4'-P energy: -33.702
bonds (distance) P-C4' energy: -44.017
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -20.982
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: 391
Temperature: 1.250000
Total energy: -190.944066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.944066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.944066 (E_RNA)
where:
Base-Base interactions energy: -53.803
where: short stacking energy: -50.971
Base-Backbone interact. energy: -0.058
local terms energy: -137.082397
where:
bonds (distance) C4'-P energy: -43.394
bonds (distance) P-C4' energy: -38.401
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -187.534141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.534141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.534141 (E_RNA)
where:
Base-Base interactions energy: -74.417
where: short stacking energy: -67.892
Base-Backbone interact. energy: -1.780
local terms energy: -111.338074
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -32.058
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -9.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -171.224067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.224067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.224067 (E_RNA)
where:
Base-Base interactions energy: -62.104
where: short stacking energy: -50.827
Base-Backbone interact. energy: -0.438
local terms energy: -108.681288
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -33.434
flat angles C4'-P-C4' energy: -28.919
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: 4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -697.328820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.328820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.328820 (E_RNA)
where:
Base-Base interactions energy: -475.601
where: short stacking energy: -204.783
Base-Backbone interact. energy: 1.082
local terms energy: -222.810501
where:
bonds (distance) C4'-P energy: -39.955
bonds (distance) P-C4' energy: -48.077
flat angles C4'-P-C4' energy: -41.406
flat angles P-C4'-P energy: -30.167
tors. eta vs tors. theta energy: -63.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -673.646421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.646421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.646421 (E_RNA)
where:
Base-Base interactions energy: -462.875
where: short stacking energy: -191.617
Base-Backbone interact. energy: -0.004
local terms energy: -210.767944
where:
bonds (distance) C4'-P energy: -39.571
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -42.876
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: -57.520
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: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -664.579122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.579122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.579122 (E_RNA)
where:
Base-Base interactions energy: -468.011
where: short stacking energy: -174.205
Base-Backbone interact. energy: -1.075
local terms energy: -195.493532
where:
bonds (distance) C4'-P energy: -32.124
bonds (distance) P-C4' energy: -37.476
flat angles C4'-P-C4' energy: -43.992
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -49.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -608.886709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.886709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.886709 (E_RNA)
where:
Base-Base interactions energy: -415.275
where: short stacking energy: -160.225
Base-Backbone interact. energy: -1.110
local terms energy: -192.501058
where:
bonds (distance) C4'-P energy: -36.574
bonds (distance) P-C4' energy: -37.058
flat angles C4'-P-C4' energy: -41.944
flat angles P-C4'-P energy: -29.387
tors. eta vs tors. theta energy: -47.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -566.745193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.745193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.745193 (E_RNA)
where:
Base-Base interactions energy: -383.269
where: short stacking energy: -167.908
Base-Backbone interact. energy: -0.087
local terms energy: -183.389046
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -39.134
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -49.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -522.725335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.725335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.725335 (E_RNA)
where:
Base-Base interactions energy: -343.104
where: short stacking energy: -157.347
Base-Backbone interact. energy: 1.549
local terms energy: -181.169838
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -35.905
flat angles C4'-P-C4' energy: -44.617
flat angles P-C4'-P energy: -28.765
tors. eta vs tors. theta energy: -44.103
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: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -379.620571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.620571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.620571 (E_RNA)
where:
Base-Base interactions energy: -234.298
where: short stacking energy: -109.124
Base-Backbone interact. energy: -1.199
local terms energy: -144.123111
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -37.418
flat angles C4'-P-C4' energy: -27.344
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -198.290417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.290417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.290417 (E_RNA)
where:
Base-Base interactions energy: -79.569
where: short stacking energy: -72.811
Base-Backbone interact. energy: 1.745
local terms energy: -120.465832
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -38.299
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -175.445679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.445679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.445679 (E_RNA)
where:
Base-Base interactions energy: -58.411
where: short stacking energy: -55.019
Base-Backbone interact. energy: -0.860
local terms energy: -116.173871
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -25.372
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -21.436
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: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -173.161706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.161706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.161706 (E_RNA)
where:
Base-Base interactions energy: -76.254
where: short stacking energy: -37.478
Base-Backbone interact. energy: 0.880
local terms energy: -97.788473
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: 13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -707.935301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.935301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.935301 (E_RNA)
where:
Base-Base interactions energy: -485.735
where: short stacking energy: -212.075
Base-Backbone interact. energy: -0.192
local terms energy: -222.007622
where:
bonds (distance) C4'-P energy: -42.157
bonds (distance) P-C4' energy: -37.290
flat angles C4'-P-C4' energy: -47.122
flat angles P-C4'-P energy: -32.786
tors. eta vs tors. theta energy: -62.653
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: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -689.818472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.818472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.818472 (E_RNA)
where:
Base-Base interactions energy: -476.947
where: short stacking energy: -192.787
Base-Backbone interact. energy: -1.486
local terms energy: -211.385387
where:
bonds (distance) C4'-P energy: -34.457
bonds (distance) P-C4' energy: -43.839
flat angles C4'-P-C4' energy: -44.682
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -55.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -680.035827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.035827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.035827 (E_RNA)
where:
Base-Base interactions energy: -471.310
where: short stacking energy: -202.623
Base-Backbone interact. energy: -1.062
local terms energy: -207.663586
where:
bonds (distance) C4'-P energy: -35.301
bonds (distance) P-C4' energy: -31.974
flat angles C4'-P-C4' energy: -45.388
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: -61.335
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: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -587.150608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.150608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.150608 (E_RNA)
where:
Base-Base interactions energy: -397.108
where: short stacking energy: -170.822
Base-Backbone interact. energy: -0.801
local terms energy: -189.241764
where:
bonds (distance) C4'-P energy: -38.453
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -38.861
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -51.647
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: 393
Temperature: 1.100000
Total energy: -591.230002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.230002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.230002 (E_RNA)
where:
Base-Base interactions energy: -388.932
where: short stacking energy: -166.040
Base-Backbone interact. energy: -0.349
local terms energy: -201.949516
where:
bonds (distance) C4'-P energy: -44.005
bonds (distance) P-C4' energy: -42.038
flat angles C4'-P-C4' energy: -34.251
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: -46.729
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: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -552.249037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.249037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.249037 (E_RNA)
where:
Base-Base interactions energy: -364.421
where: short stacking energy: -159.127
Base-Backbone interact. energy: -0.184
local terms energy: -187.644152
where:
bonds (distance) C4'-P energy: -32.581
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -39.282
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -48.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -358.864057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.864057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.864057 (E_RNA)
where:
Base-Base interactions energy: -194.707
where: short stacking energy: -94.240
Base-Backbone interact. energy: -1.046
local terms energy: -163.111155
where:
bonds (distance) C4'-P energy: -36.556
bonds (distance) P-C4' energy: -35.019
flat angles C4'-P-C4' energy: -40.405
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -25.099
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: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -194.471993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.471993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.471993 (E_RNA)
where:
Base-Base interactions energy: -81.604
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.786
local terms energy: -112.081478
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -38.166
flat angles P-C4'-P energy: -17.197
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -194.203018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.203018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.203018 (E_RNA)
where:
Base-Base interactions energy: -89.467
where: short stacking energy: -38.208
Base-Backbone interact. energy: -0.804
local terms energy: -103.931958
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -33.239
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: 4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -167.679592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.679592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.679592 (E_RNA)
where:
Base-Base interactions energy: -58.444
where: short stacking energy: -53.671
Base-Backbone interact. energy: 2.081
local terms energy: -111.316977
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -43.325
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: 5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -684.229631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.229631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.229631 (E_RNA)
where:
Base-Base interactions energy: -474.774
where: short stacking energy: -176.166
Base-Backbone interact. energy: 0.393
local terms energy: -209.848493
where:
bonds (distance) C4'-P energy: -39.421
bonds (distance) P-C4' energy: -39.608
flat angles C4'-P-C4' energy: -40.698
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -55.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -686.082062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.082062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.082062 (E_RNA)
where:
Base-Base interactions energy: -471.782
where: short stacking energy: -202.221
Base-Backbone interact. energy: -1.137
local terms energy: -213.162462
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -37.106
flat angles C4'-P-C4' energy: -44.429
flat angles P-C4'-P energy: -30.776
tors. eta vs tors. theta energy: -63.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -654.424265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.424265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.424265 (E_RNA)
where:
Base-Base interactions energy: -461.370
where: short stacking energy: -196.088
Base-Backbone interact. energy: 0.565
local terms energy: -193.618934
where:
bonds (distance) C4'-P energy: -32.872
bonds (distance) P-C4' energy: -36.911
flat angles C4'-P-C4' energy: -42.443
flat angles P-C4'-P energy: -27.605
tors. eta vs tors. theta energy: -53.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -590.899405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.899405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.899405 (E_RNA)
where:
Base-Base interactions energy: -403.534
where: short stacking energy: -163.973
Base-Backbone interact. energy: -0.230
local terms energy: -187.135630
where:
bonds (distance) C4'-P energy: -29.230
bonds (distance) P-C4' energy: -41.170
flat angles C4'-P-C4' energy: -38.968
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -49.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -550.676195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.676195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.676195 (E_RNA)
where:
Base-Base interactions energy: -386.192
where: short stacking energy: -161.485
Base-Backbone interact. energy: -0.011
local terms energy: -164.472652
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -36.068
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -27.131
tors. eta vs tors. theta energy: -43.815
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: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -533.758877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.758877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.758877 (E_RNA)
where:
Base-Base interactions energy: -343.861
where: short stacking energy: -145.941
Base-Backbone interact. energy: -0.425
local terms energy: -189.472476
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -39.879
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -44.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -334.329232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.329232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.329232 (E_RNA)
where:
Base-Base interactions energy: -192.243
where: short stacking energy: -101.958
Base-Backbone interact. energy: -0.263
local terms energy: -141.823549
where:
bonds (distance) C4'-P energy: -33.970
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -34.902
flat angles P-C4'-P energy: -20.792
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -184.548157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.548157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.548157 (E_RNA)
where:
Base-Base interactions energy: -66.957
where: short stacking energy: -44.690
Base-Backbone interact. energy: -0.755
local terms energy: -116.836309
where:
bonds (distance) C4'-P energy: -36.284
bonds (distance) P-C4' energy: -38.355
flat angles C4'-P-C4' energy: -26.124
flat angles P-C4'-P energy: -22.658
tors. eta vs tors. theta energy: 6.584
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: 394
Temperature: 1.300000
Total energy: -178.532400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.532400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.532400 (E_RNA)
where:
Base-Base interactions energy: -47.695
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.923
local terms energy: -129.915139
where:
bonds (distance) C4'-P energy: -40.342
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -3.842
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: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -168.194180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.194180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.194180 (E_RNA)
where:
Base-Base interactions energy: -50.508
where: short stacking energy: -49.325
Base-Backbone interact. energy: 0.025
local terms energy: -117.711257
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -44.980
flat angles C4'-P-C4' energy: -33.627
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -0.446
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: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -684.333917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.333917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.333917 (E_RNA)
where:
Base-Base interactions energy: -480.583
where: short stacking energy: -181.976
Base-Backbone interact. energy: -0.271
local terms energy: -203.479192
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -40.633
flat angles C4'-P-C4' energy: -40.695
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: -57.767
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: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -677.980790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.980790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.980790 (E_RNA)
where:
Base-Base interactions energy: -460.078
where: short stacking energy: -193.870
Base-Backbone interact. energy: 0.101
local terms energy: -218.002858
where:
bonds (distance) C4'-P energy: -35.989
bonds (distance) P-C4' energy: -39.186
flat angles C4'-P-C4' energy: -44.440
flat angles P-C4'-P energy: -34.153
tors. eta vs tors. theta energy: -64.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -652.837354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.837354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.837354 (E_RNA)
where:
Base-Base interactions energy: -439.013
where: short stacking energy: -176.141
Base-Backbone interact. energy: -1.306
local terms energy: -212.518877
where:
bonds (distance) C4'-P energy: -43.264
bonds (distance) P-C4' energy: -46.762
flat angles C4'-P-C4' energy: -40.503
flat angles P-C4'-P energy: -30.785
tors. eta vs tors. theta energy: -51.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -572.498987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.498987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.498987 (E_RNA)
where:
Base-Base interactions energy: -395.706
where: short stacking energy: -161.794
Base-Backbone interact. energy: -0.917
local terms energy: -175.875981
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -31.942
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -30.815
tors. eta vs tors. theta energy: -40.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -590.499273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.499273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.499273 (E_RNA)
where:
Base-Base interactions energy: -403.216
where: short stacking energy: -182.551
Base-Backbone interact. energy: -0.094
local terms energy: -187.189544
where:
bonds (distance) C4'-P energy: -36.932
bonds (distance) P-C4' energy: -32.926
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -53.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -509.001891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.001891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.001891 (E_RNA)
where:
Base-Base interactions energy: -338.519
where: short stacking energy: -138.500
Base-Backbone interact. energy: -0.475
local terms energy: -170.008209
where:
bonds (distance) C4'-P energy: -32.311
bonds (distance) P-C4' energy: -37.641
flat angles C4'-P-C4' energy: -40.150
flat angles P-C4'-P energy: -19.529
tors. eta vs tors. theta energy: -40.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -330.635580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.635580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.635580 (E_RNA)
where:
Base-Base interactions energy: -179.544
where: short stacking energy: -99.217
Base-Backbone interact. energy: -1.241
local terms energy: -149.850885
where:
bonds (distance) C4'-P energy: -28.394
bonds (distance) P-C4' energy: -38.201
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -29.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -207.755776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.755776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.755776 (E_RNA)
where:
Base-Base interactions energy: -99.434
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.650
local terms energy: -107.671548
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: 1.620
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: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -206.095194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.095194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.095194 (E_RNA)
where:
Base-Base interactions energy: -72.982
where: short stacking energy: -49.842
Base-Backbone interact. energy: -0.560
local terms energy: -132.552749
where:
bonds (distance) C4'-P energy: -36.011
bonds (distance) P-C4' energy: -29.736
flat angles C4'-P-C4' energy: -33.352
flat angles P-C4'-P energy: -25.574
tors. eta vs tors. theta energy: -7.879
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: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -168.713550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.713550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.713550 (E_RNA)
where:
Base-Base interactions energy: -44.283
where: short stacking energy: -40.335
Base-Backbone interact. energy: 0.224
local terms energy: -124.654314
where:
bonds (distance) C4'-P energy: -38.745
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -16.493
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: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -696.061257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.061257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.061257 (E_RNA)
where:
Base-Base interactions energy: -473.141
where: short stacking energy: -212.198
Base-Backbone interact. energy: -0.975
local terms energy: -221.945740
where:
bonds (distance) C4'-P energy: -35.658
bonds (distance) P-C4' energy: -44.076
flat angles C4'-P-C4' energy: -45.152
flat angles P-C4'-P energy: -31.610
tors. eta vs tors. theta energy: -65.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -669.769411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.769411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.769411 (E_RNA)
where:
Base-Base interactions energy: -460.039
where: short stacking energy: -184.274
Base-Backbone interact. energy: -0.427
local terms energy: -209.303508
where:
bonds (distance) C4'-P energy: -43.233
bonds (distance) P-C4' energy: -33.637
flat angles C4'-P-C4' energy: -44.464
flat angles P-C4'-P energy: -29.324
tors. eta vs tors. theta energy: -58.645
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: 396
Temperature: 1.000000
Total energy: -590.366409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.366409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.366409 (E_RNA)
where:
Base-Base interactions energy: -402.542
where: short stacking energy: -149.105
Base-Backbone interact. energy: -0.992
local terms energy: -186.832225
where:
bonds (distance) C4'-P energy: -34.993
bonds (distance) P-C4' energy: -41.570
flat angles C4'-P-C4' energy: -45.429
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -38.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -644.696994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.696994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.696994 (E_RNA)
where:
Base-Base interactions energy: -445.903
where: short stacking energy: -181.836
Base-Backbone interact. energy: -0.795
local terms energy: -197.998984
where:
bonds (distance) C4'-P energy: -36.273
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -44.564
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: -58.653
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: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -552.860784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.860784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.860784 (E_RNA)
where:
Base-Base interactions energy: -376.317
where: short stacking energy: -162.512
Base-Backbone interact. energy: -0.600
local terms energy: -175.943453
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -33.228
flat angles C4'-P-C4' energy: -38.936
flat angles P-C4'-P energy: -29.533
tors. eta vs tors. theta energy: -48.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -489.255159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.255159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.255159 (E_RNA)
where:
Base-Base interactions energy: -311.066
where: short stacking energy: -128.362
Base-Backbone interact. energy: -1.205
local terms energy: -176.984255
where:
bonds (distance) C4'-P energy: -36.125
bonds (distance) P-C4' energy: -41.349
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -30.185
tors. eta vs tors. theta energy: -34.817
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: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -303.934845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.934845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.934845 (E_RNA)
where:
Base-Base interactions energy: -169.851
where: short stacking energy: -105.261
Base-Backbone interact. energy: -0.658
local terms energy: -133.425857
where:
bonds (distance) C4'-P energy: -32.535
bonds (distance) P-C4' energy: -37.527
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -211.961981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.961981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.961981 (E_RNA)
where:
Base-Base interactions energy: -80.136
where: short stacking energy: -35.800
Base-Backbone interact. energy: -1.672
local terms energy: -130.153619
where:
bonds (distance) C4'-P energy: -39.212
bonds (distance) P-C4' energy: -43.463
flat angles C4'-P-C4' energy: -30.153
flat angles P-C4'-P energy: -20.333
tors. eta vs tors. theta energy: 3.007
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: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -195.369932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.369932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.369932 (E_RNA)
where:
Base-Base interactions energy: -95.814
where: short stacking energy: -36.039
Base-Backbone interact. energy: 1.970
local terms energy: -101.525881
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -40.170
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: 6.643
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: 396
Temperature: 1.350000
Total energy: -166.337669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.337669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.337669 (E_RNA)
where:
Base-Base interactions energy: -59.109
where: short stacking energy: -47.721
Base-Backbone interact. energy: 1.308
local terms energy: -108.536271
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -27.057
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: 6.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -699.065697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.065697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.065697 (E_RNA)
where:
Base-Base interactions energy: -471.091
where: short stacking energy: -212.991
Base-Backbone interact. energy: 0.430
local terms energy: -228.404284
where:
bonds (distance) C4'-P energy: -37.570
bonds (distance) P-C4' energy: -47.779
flat angles C4'-P-C4' energy: -47.272
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -62.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -665.692733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.692733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.692733 (E_RNA)
where:
Base-Base interactions energy: -456.531
where: short stacking energy: -190.339
Base-Backbone interact. energy: -0.245
local terms energy: -208.917073
where:
bonds (distance) C4'-P energy: -37.410
bonds (distance) P-C4' energy: -37.617
flat angles C4'-P-C4' energy: -46.328
flat angles P-C4'-P energy: -28.784
tors. eta vs tors. theta energy: -58.778
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: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -567.374143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.374143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.374143 (E_RNA)
where:
Base-Base interactions energy: -379.470
where: short stacking energy: -154.051
Base-Backbone interact. energy: 2.415
local terms energy: -190.318951
where:
bonds (distance) C4'-P energy: -33.851
bonds (distance) P-C4' energy: -37.801
flat angles C4'-P-C4' energy: -43.103
flat angles P-C4'-P energy: -29.273
tors. eta vs tors. theta energy: -46.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -650.302635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.302635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.302635 (E_RNA)
where:
Base-Base interactions energy: -456.381
where: short stacking energy: -190.853
Base-Backbone interact. energy: -1.725
local terms energy: -192.196803
where:
bonds (distance) C4'-P energy: -29.255
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -45.636
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -61.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -596.245701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.245701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.245701 (E_RNA)
where:
Base-Base interactions energy: -396.981
where: short stacking energy: -174.202
Base-Backbone interact. energy: -0.068
local terms energy: -199.197514
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -44.064
flat angles C4'-P-C4' energy: -40.958
flat angles P-C4'-P energy: -30.619
tors. eta vs tors. theta energy: -52.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -526.391248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.391248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.391248 (E_RNA)
where:
Base-Base interactions energy: -341.277
where: short stacking energy: -152.050
Base-Backbone interact. energy: 0.446
local terms energy: -185.560377
where:
bonds (distance) C4'-P energy: -36.497
bonds (distance) P-C4' energy: -35.518
flat angles C4'-P-C4' energy: -43.432
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -41.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -304.472502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.472502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.472502 (E_RNA)
where:
Base-Base interactions energy: -172.272
where: short stacking energy: -100.796
Base-Backbone interact. energy: -0.235
local terms energy: -131.965725
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -15.241
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: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -277.933492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.933492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.933492 (E_RNA)
where:
Base-Base interactions energy: -146.087
where: short stacking energy: -79.122
Base-Backbone interact. energy: -0.581
local terms energy: -131.265733
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -40.546
flat angles C4'-P-C4' energy: -32.456
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -181.342220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.342220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.342220 (E_RNA)
where:
Base-Base interactions energy: -66.312
where: short stacking energy: -50.686
Base-Backbone interact. energy: 1.461
local terms energy: -116.491258
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -35.219
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: 3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -171.025109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.025109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.025109 (E_RNA)
where:
Base-Base interactions energy: -77.033
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.613
local terms energy: -93.379042
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -36.980
flat angles C4'-P-C4' energy: -30.893
flat angles P-C4'-P energy: -9.449
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: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -683.318822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.318822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.318822 (E_RNA)
where:
Base-Base interactions energy: -466.470
where: short stacking energy: -181.755
Base-Backbone interact. energy: -0.393
local terms energy: -216.455501
where:
bonds (distance) C4'-P energy: -43.371
bonds (distance) P-C4' energy: -43.464
flat angles C4'-P-C4' energy: -40.580
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -57.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -689.212131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.212131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.212131 (E_RNA)
where:
Base-Base interactions energy: -479.206
where: short stacking energy: -207.253
Base-Backbone interact. energy: 0.396
local terms energy: -210.402084
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -42.674
flat angles C4'-P-C4' energy: -43.678
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: -57.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -681.823365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.823365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.823365 (E_RNA)
where:
Base-Base interactions energy: -464.571
where: short stacking energy: -190.762
Base-Backbone interact. energy: -1.783
local terms energy: -215.469839
where:
bonds (distance) C4'-P energy: -42.964
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -46.099
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -63.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -559.363842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.363842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.363842 (E_RNA)
where:
Base-Base interactions energy: -371.596
where: short stacking energy: -143.266
Base-Backbone interact. energy: -1.866
local terms energy: -185.901420
where:
bonds (distance) C4'-P energy: -38.866
bonds (distance) P-C4' energy: -37.665
flat angles C4'-P-C4' energy: -34.906
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -570.513899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.513899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.513899 (E_RNA)
where:
Base-Base interactions energy: -374.371
where: short stacking energy: -166.081
Base-Backbone interact. energy: -0.823
local terms energy: -195.319579
where:
bonds (distance) C4'-P energy: -37.143
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -41.025
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -48.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -521.599449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.599449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.599449 (E_RNA)
where:
Base-Base interactions energy: -348.319
where: short stacking energy: -143.173
Base-Backbone interact. energy: -2.020
local terms energy: -171.260543
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -40.634
flat angles C4'-P-C4' energy: -35.687
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -43.567
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: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -308.303341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.303341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.303341 (E_RNA)
where:
Base-Base interactions energy: -167.713
where: short stacking energy: -106.292
Base-Backbone interact. energy: -1.359
local terms energy: -139.231737
where:
bonds (distance) C4'-P energy: -32.191
bonds (distance) P-C4' energy: -40.102
flat angles C4'-P-C4' energy: -33.548
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -316.674846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.674846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.674846 (E_RNA)
where:
Base-Base interactions energy: -175.498
where: short stacking energy: -84.726
Base-Backbone interact. energy: -0.700
local terms energy: -140.477098
where:
bonds (distance) C4'-P energy: -37.341
bonds (distance) P-C4' energy: -33.978
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -189.699455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.699455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.699455 (E_RNA)
where:
Base-Base interactions energy: -81.175
where: short stacking energy: -52.730
Base-Backbone interact. energy: -0.487
local terms energy: -108.037070
where:
bonds (distance) C4'-P energy: -26.524
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -36.987
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: 5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -179.584774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.584774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.584774 (E_RNA)
where:
Base-Base interactions energy: -63.251
where: short stacking energy: -47.695
Base-Backbone interact. energy: -0.394
local terms energy: -115.939687
where:
bonds (distance) C4'-P energy: -36.911
bonds (distance) P-C4' energy: -35.520
flat angles C4'-P-C4' energy: -26.360
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -1.385
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: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -667.455686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.455686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.455686 (E_RNA)
where:
Base-Base interactions energy: -465.109
where: short stacking energy: -192.967
Base-Backbone interact. energy: -0.058
local terms energy: -202.288510
where:
bonds (distance) C4'-P energy: -34.872
bonds (distance) P-C4' energy: -42.054
flat angles C4'-P-C4' energy: -38.361
flat angles P-C4'-P energy: -30.618
tors. eta vs tors. theta energy: -56.383
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: 399
Temperature: 0.950000
Total energy: -683.801011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.801011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.801011 (E_RNA)
where:
Base-Base interactions energy: -462.322
where: short stacking energy: -203.451
Base-Backbone interact. energy: -2.194
local terms energy: -219.284705
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -45.320
flat angles C4'-P-C4' energy: -46.395
flat angles P-C4'-P energy: -31.178
tors. eta vs tors. theta energy: -62.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -658.323358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.323358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.323358 (E_RNA)
where:
Base-Base interactions energy: -461.737
where: short stacking energy: -191.542
Base-Backbone interact. energy: 0.189
local terms energy: -196.774788
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -27.568
tors. eta vs tors. theta energy: -52.053
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: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -598.424126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.424126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.424126 (E_RNA)
where:
Base-Base interactions energy: -393.140
where: short stacking energy: -172.399
Base-Backbone interact. energy: -0.554
local terms energy: -204.730570
where:
bonds (distance) C4'-P energy: -40.192
bonds (distance) P-C4' energy: -38.724
flat angles C4'-P-C4' energy: -42.512
flat angles P-C4'-P energy: -26.634
tors. eta vs tors. theta energy: -56.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -557.450750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.450750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.450750 (E_RNA)
where:
Base-Base interactions energy: -365.285
where: short stacking energy: -154.381
Base-Backbone interact. energy: -0.595
local terms energy: -191.570778
where:
bonds (distance) C4'-P energy: -31.541
bonds (distance) P-C4' energy: -43.302
flat angles C4'-P-C4' energy: -43.397
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -43.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -513.503684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.503684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.503684 (E_RNA)
where:
Base-Base interactions energy: -336.374
where: short stacking energy: -148.464
Base-Backbone interact. energy: -0.180
local terms energy: -176.949100
where:
bonds (distance) C4'-P energy: -38.331
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -39.878
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -40.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -297.192890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.192890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.192890 (E_RNA)
where:
Base-Base interactions energy: -144.947
where: short stacking energy: -95.106
Base-Backbone interact. energy: -0.477
local terms energy: -151.768959
where:
bonds (distance) C4'-P energy: -40.513
bonds (distance) P-C4' energy: -51.191
flat angles C4'-P-C4' energy: -29.973
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -15.140
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: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -300.275848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.275848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.275848 (E_RNA)
where:
Base-Base interactions energy: -151.465
where: short stacking energy: -85.964
Base-Backbone interact. energy: -1.667
local terms energy: -147.143007
where:
bonds (distance) C4'-P energy: -28.958
bonds (distance) P-C4' energy: -37.526
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -23.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -188.915921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.915921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.915921 (E_RNA)
where:
Base-Base interactions energy: -62.748
where: short stacking energy: -57.702
Base-Backbone interact. energy: -1.440
local terms energy: -124.727801
where:
bonds (distance) C4'-P energy: -39.969
bonds (distance) P-C4' energy: -38.408
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -187.484922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.484922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.484922 (E_RNA)
where:
Base-Base interactions energy: -64.272
where: short stacking energy: -39.694
Base-Backbone interact. energy: -2.423
local terms energy: -120.789857
where:
bonds (distance) C4'-P energy: -42.176
bonds (distance) P-C4' energy: -39.342
flat angles C4'-P-C4' energy: -29.975
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: 2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -696.083190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.083190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.083190 (E_RNA)
where:
Base-Base interactions energy: -473.962
where: short stacking energy: -203.316
Base-Backbone interact. energy: -0.353
local terms energy: -221.768517
where:
bonds (distance) C4'-P energy: -40.386
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -41.824
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: -64.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -664.570047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.570047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.570047 (E_RNA)
where:
Base-Base interactions energy: -468.790
where: short stacking energy: -186.013
Base-Backbone interact. energy: 0.006
local terms energy: -195.786224
where:
bonds (distance) C4'-P energy: -38.980
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -57.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -648.976746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.976746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.976746 (E_RNA)
where:
Base-Base interactions energy: -442.066
where: short stacking energy: -178.051
Base-Backbone interact. energy: -1.275
local terms energy: -205.635672
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -40.264
flat angles C4'-P-C4' energy: -46.896
flat angles P-C4'-P energy: -29.219
tors. eta vs tors. theta energy: -55.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -606.256147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.256147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.256147 (E_RNA)
where:
Base-Base interactions energy: -410.648
where: short stacking energy: -185.495
Base-Backbone interact. energy: 1.895
local terms energy: -197.503296
where:
bonds (distance) C4'-P energy: -32.159
bonds (distance) P-C4' energy: -31.532
flat angles C4'-P-C4' energy: -42.260
flat angles P-C4'-P energy: -30.558
tors. eta vs tors. theta energy: -60.994
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: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -544.532543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.532543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.532543 (E_RNA)
where:
Base-Base interactions energy: -352.271
where: short stacking energy: -156.941
Base-Backbone interact. energy: 0.158
local terms energy: -192.419497
where:
bonds (distance) C4'-P energy: -36.216
bonds (distance) P-C4' energy: -38.716
flat angles C4'-P-C4' energy: -38.020
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -49.851
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: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -514.608578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.608578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.608578 (E_RNA)
where:
Base-Base interactions energy: -335.199
where: short stacking energy: -142.903
Base-Backbone interact. energy: -0.167
local terms energy: -179.242570
where:
bonds (distance) C4'-P energy: -39.083
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -27.933
tors. eta vs tors. theta energy: -41.434
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: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -321.449710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.449710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.449710 (E_RNA)
where:
Base-Base interactions energy: -171.559
where: short stacking energy: -82.021
Base-Backbone interact. energy: -2.943
local terms energy: -146.948204
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -31.860
flat angles C4'-P-C4' energy: -40.826
flat angles P-C4'-P energy: -26.636
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -320.007537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.007537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.007537 (E_RNA)
where:
Base-Base interactions energy: -172.766
where: short stacking energy: -84.023
Base-Backbone interact. energy: -0.240
local terms energy: -147.002025
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -37.835
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -188.618035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.618035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.618035 (E_RNA)
where:
Base-Base interactions energy: -60.367
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.512
local terms energy: -127.739138
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -191.406135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.406135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.406135 (E_RNA)
where:
Base-Base interactions energy: -70.440
where: short stacking energy: -61.344
Base-Backbone interact. energy: 0.943
local terms energy: -121.909365
where:
bonds (distance) C4'-P energy: -34.072
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -32.231
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -684.510970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.510970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.510970 (E_RNA)
where:
Base-Base interactions energy: -465.811
where: short stacking energy: -196.643
Base-Backbone interact. energy: 1.347
local terms energy: -220.046942
where:
bonds (distance) C4'-P energy: -39.397
bonds (distance) P-C4' energy: -43.017
flat angles C4'-P-C4' energy: -43.197
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -62.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -671.731203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.731203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.731203 (E_RNA)
where:
Base-Base interactions energy: -468.452
where: short stacking energy: -186.530
Base-Backbone interact. energy: 0.007
local terms energy: -203.285356
where:
bonds (distance) C4'-P energy: -45.494
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -43.962
flat angles P-C4'-P energy: -32.089
tors. eta vs tors. theta energy: -51.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -659.624735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.624735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.624735 (E_RNA)
where:
Base-Base interactions energy: -450.367
where: short stacking energy: -178.271
Base-Backbone interact. energy: 0.669
local terms energy: -209.926444
where:
bonds (distance) C4'-P energy: -37.223
bonds (distance) P-C4' energy: -42.315
flat angles C4'-P-C4' energy: -40.454
flat angles P-C4'-P energy: -29.398
tors. eta vs tors. theta energy: -60.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -613.366380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.366380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.366380 (E_RNA)
where:
Base-Base interactions energy: -409.659
where: short stacking energy: -175.536
Base-Backbone interact. energy: 0.384
local terms energy: -204.090997
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -39.353
flat angles C4'-P-C4' energy: -46.316
flat angles P-C4'-P energy: -28.273
tors. eta vs tors. theta energy: -52.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -540.648369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.648369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.648369 (E_RNA)
where:
Base-Base interactions energy: -372.061
where: short stacking energy: -151.965
Base-Backbone interact. energy: -0.489
local terms energy: -168.098267
where:
bonds (distance) C4'-P energy: -35.845
bonds (distance) P-C4' energy: -35.650
flat angles C4'-P-C4' energy: -37.678
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -38.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -532.411445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.411445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.411445 (E_RNA)
where:
Base-Base interactions energy: -348.895
where: short stacking energy: -151.875
Base-Backbone interact. energy: -1.185
local terms energy: -182.330960
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -37.151
flat angles C4'-P-C4' energy: -39.751
flat angles P-C4'-P energy: -28.092
tors. eta vs tors. theta energy: -45.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -376.760018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.760018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.760018 (E_RNA)
where:
Base-Base interactions energy: -220.796
where: short stacking energy: -106.289
Base-Backbone interact. energy: -0.412
local terms energy: -155.552006
where:
bonds (distance) C4'-P energy: -41.048
bonds (distance) P-C4' energy: -32.877
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -28.982
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -274.087336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.087336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.087336 (E_RNA)
where:
Base-Base interactions energy: -140.969
where: short stacking energy: -83.676
Base-Backbone interact. energy: -0.297
local terms energy: -132.821825
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -43.499
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -11.121
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: 401
Temperature: 1.300000
Total energy: -230.133199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.133199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.133199 (E_RNA)
where:
Base-Base interactions energy: -95.400
where: short stacking energy: -64.909
Base-Backbone interact. energy: -0.856
local terms energy: -133.877374
where:
bonds (distance) C4'-P energy: -35.202
bonds (distance) P-C4' energy: -39.744
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -7.188
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: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -178.080245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.080245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.080245 (E_RNA)
where:
Base-Base interactions energy: -72.758
where: short stacking energy: -63.545
Base-Backbone interact. energy: -0.383
local terms energy: -104.939103
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -37.943
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: 0.507
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: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -694.985956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.985956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.985956 (E_RNA)
where:
Base-Base interactions energy: -482.210
where: short stacking energy: -189.709
Base-Backbone interact. energy: -1.004
local terms energy: -211.771959
where:
bonds (distance) C4'-P energy: -37.588
bonds (distance) P-C4' energy: -41.193
flat angles C4'-P-C4' energy: -45.103
flat angles P-C4'-P energy: -29.280
tors. eta vs tors. theta energy: -58.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -663.286762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.286762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.286762 (E_RNA)
where:
Base-Base interactions energy: -455.019
where: short stacking energy: -196.757
Base-Backbone interact. energy: -0.085
local terms energy: -208.182987
where:
bonds (distance) C4'-P energy: -34.800
bonds (distance) P-C4' energy: -42.312
flat angles C4'-P-C4' energy: -47.974
flat angles P-C4'-P energy: -27.767
tors. eta vs tors. theta energy: -55.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -651.079635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.079635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.079635 (E_RNA)
where:
Base-Base interactions energy: -458.955
where: short stacking energy: -177.104
Base-Backbone interact. energy: -1.491
local terms energy: -190.634080
where:
bonds (distance) C4'-P energy: -33.779
bonds (distance) P-C4' energy: -39.840
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -58.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -599.034730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.034730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.034730 (E_RNA)
where:
Base-Base interactions energy: -402.221
where: short stacking energy: -167.930
Base-Backbone interact. energy: -0.631
local terms energy: -196.182358
where:
bonds (distance) C4'-P energy: -30.794
bonds (distance) P-C4' energy: -41.949
flat angles C4'-P-C4' energy: -42.455
flat angles P-C4'-P energy: -30.518
tors. eta vs tors. theta energy: -50.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -552.049393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.049393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.049393 (E_RNA)
where:
Base-Base interactions energy: -389.969
where: short stacking energy: -172.545
Base-Backbone interact. energy: -0.949
local terms energy: -161.131460
where:
bonds (distance) C4'-P energy: -39.935
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -42.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -536.315943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.315943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.315943 (E_RNA)
where:
Base-Base interactions energy: -354.357
where: short stacking energy: -142.111
Base-Backbone interact. energy: -0.654
local terms energy: -181.304600
where:
bonds (distance) C4'-P energy: -38.347
bonds (distance) P-C4' energy: -37.443
flat angles C4'-P-C4' energy: -39.608
flat angles P-C4'-P energy: -24.406
tors. eta vs tors. theta energy: -41.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -359.534634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.534634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.534634 (E_RNA)
where:
Base-Base interactions energy: -201.090
where: short stacking energy: -111.384
Base-Backbone interact. energy: 0.241
local terms energy: -158.686376
where:
bonds (distance) C4'-P energy: -43.043
bonds (distance) P-C4' energy: -36.122
flat angles C4'-P-C4' energy: -29.216
flat angles P-C4'-P energy: -25.503
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -290.145850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.145850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.145850 (E_RNA)
where:
Base-Base interactions energy: -160.909
where: short stacking energy: -89.528
Base-Backbone interact. energy: -0.216
local terms energy: -129.020491
where:
bonds (distance) C4'-P energy: -30.964
bonds (distance) P-C4' energy: -29.029
flat angles C4'-P-C4' energy: -30.724
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -18.746
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: 402
Temperature: 1.300000
Total energy: -230.641402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.641402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.641402 (E_RNA)
where:
Base-Base interactions energy: -104.118
where: short stacking energy: -62.967
Base-Backbone interact. energy: -1.348
local terms energy: -125.176055
where:
bonds (distance) C4'-P energy: -34.717
bonds (distance) P-C4' energy: -33.612
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -158.938952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.938952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.938952 (E_RNA)
where:
Base-Base interactions energy: -53.923
where: short stacking energy: -50.720
Base-Backbone interact. energy: 2.103
local terms energy: -107.118795
where:
bonds (distance) C4'-P energy: -40.200
bonds (distance) P-C4' energy: -41.971
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -6.899
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: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -693.986063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.986063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.986063 (E_RNA)
where:
Base-Base interactions energy: -496.888
where: short stacking energy: -184.028
Base-Backbone interact. energy: -0.826
local terms energy: -196.271480
where:
bonds (distance) C4'-P energy: -40.224
bonds (distance) P-C4' energy: -33.659
flat angles C4'-P-C4' energy: -42.044
flat angles P-C4'-P energy: -25.956
tors. eta vs tors. theta energy: -54.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -690.909896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.909896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.909896 (E_RNA)
where:
Base-Base interactions energy: -476.387
where: short stacking energy: -207.489
Base-Backbone interact. energy: -2.823
local terms energy: -211.699371
where:
bonds (distance) C4'-P energy: -36.080
bonds (distance) P-C4' energy: -39.975
flat angles C4'-P-C4' energy: -44.473
flat angles P-C4'-P energy: -32.457
tors. eta vs tors. theta energy: -58.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -659.401724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.401724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.401724 (E_RNA)
where:
Base-Base interactions energy: -454.313
where: short stacking energy: -196.525
Base-Backbone interact. energy: -0.835
local terms energy: -204.254020
where:
bonds (distance) C4'-P energy: -37.442
bonds (distance) P-C4' energy: -37.721
flat angles C4'-P-C4' energy: -40.739
flat angles P-C4'-P energy: -25.587
tors. eta vs tors. theta energy: -62.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -594.947550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.947550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.947550 (E_RNA)
where:
Base-Base interactions energy: -397.690
where: short stacking energy: -180.835
Base-Backbone interact. energy: -0.494
local terms energy: -196.764454
where:
bonds (distance) C4'-P energy: -31.073
bonds (distance) P-C4' energy: -42.023
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -26.479
tors. eta vs tors. theta energy: -58.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -560.411806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.411806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.411806 (E_RNA)
where:
Base-Base interactions energy: -374.646
where: short stacking energy: -167.676
Base-Backbone interact. energy: -1.083
local terms energy: -184.682886
where:
bonds (distance) C4'-P energy: -36.374
bonds (distance) P-C4' energy: -33.754
flat angles C4'-P-C4' energy: -38.748
flat angles P-C4'-P energy: -29.258
tors. eta vs tors. theta energy: -46.548
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: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -507.014983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.014983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.014983 (E_RNA)
where:
Base-Base interactions energy: -337.124
where: short stacking energy: -137.562
Base-Backbone interact. energy: -0.785
local terms energy: -169.105094
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -31.867
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -36.720
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: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -365.634676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.634676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.634676 (E_RNA)
where:
Base-Base interactions energy: -227.342
where: short stacking energy: -107.576
Base-Backbone interact. energy: 0.771
local terms energy: -139.063717
where:
bonds (distance) C4'-P energy: -29.502
bonds (distance) P-C4' energy: -31.168
flat angles C4'-P-C4' energy: -34.298
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -21.587
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: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -307.253668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.253668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.253668 (E_RNA)
where:
Base-Base interactions energy: -169.861
where: short stacking energy: -94.438
Base-Backbone interact. energy: 0.743
local terms energy: -138.135684
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -200.385010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.385010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.385010 (E_RNA)
where:
Base-Base interactions energy: -77.569
where: short stacking energy: -47.314
Base-Backbone interact. energy: -1.113
local terms energy: -121.702970
where:
bonds (distance) C4'-P energy: -37.633
bonds (distance) P-C4' energy: -39.367
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: 4.524
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: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -187.149480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.149480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.149480 (E_RNA)
where:
Base-Base interactions energy: -95.849
where: short stacking energy: -55.234
Base-Backbone interact. energy: -0.177
local terms energy: -91.123998
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -25.227
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: 9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -686.961537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.961537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.961537 (E_RNA)
where:
Base-Base interactions energy: -477.895
where: short stacking energy: -195.057
Base-Backbone interact. energy: -0.894
local terms energy: -208.172317
where:
bonds (distance) C4'-P energy: -40.956
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -40.759
flat angles P-C4'-P energy: -28.586
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: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -668.534065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.534065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.534065 (E_RNA)
where:
Base-Base interactions energy: -468.267
where: short stacking energy: -188.274
Base-Backbone interact. energy: -1.939
local terms energy: -198.328951
where:
bonds (distance) C4'-P energy: -36.072
bonds (distance) P-C4' energy: -35.516
flat angles C4'-P-C4' energy: -47.601
flat angles P-C4'-P energy: -25.523
tors. eta vs tors. theta energy: -53.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -646.529214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.529214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.529214 (E_RNA)
where:
Base-Base interactions energy: -437.229
where: short stacking energy: -187.999
Base-Backbone interact. energy: -1.770
local terms energy: -207.530089
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -39.320
flat angles P-C4'-P energy: -27.691
tors. eta vs tors. theta energy: -66.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -585.482407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.482407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.482407 (E_RNA)
where:
Base-Base interactions energy: -386.288
where: short stacking energy: -173.015
Base-Backbone interact. energy: -0.825
local terms energy: -198.369313
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -40.388
flat angles C4'-P-C4' energy: -37.655
flat angles P-C4'-P energy: -32.743
tors. eta vs tors. theta energy: -53.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -562.445665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.445665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.445665 (E_RNA)
where:
Base-Base interactions energy: -383.894
where: short stacking energy: -170.044
Base-Backbone interact. energy: 0.303
local terms energy: -178.854552
where:
bonds (distance) C4'-P energy: -35.689
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -39.443
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -44.649
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: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -498.485518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.485518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.485518 (E_RNA)
where:
Base-Base interactions energy: -335.627
where: short stacking energy: -152.344
Base-Backbone interact. energy: -1.430
local terms energy: -161.427685
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -35.704
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -39.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -355.190299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.190299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.190299 (E_RNA)
where:
Base-Base interactions energy: -193.781
where: short stacking energy: -103.172
Base-Backbone interact. energy: -0.431
local terms energy: -160.978468
where:
bonds (distance) C4'-P energy: -35.645
bonds (distance) P-C4' energy: -41.523
flat angles C4'-P-C4' energy: -42.441
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -285.686450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.686450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.686450 (E_RNA)
where:
Base-Base interactions energy: -160.315
where: short stacking energy: -74.088
Base-Backbone interact. energy: 0.570
local terms energy: -125.941189
where:
bonds (distance) C4'-P energy: -36.949
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -17.965
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: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -181.833390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.833390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.833390 (E_RNA)
where:
Base-Base interactions energy: -70.425
where: short stacking energy: -61.889
Base-Backbone interact. energy: -0.113
local terms energy: -111.295458
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -34.882
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -21.775
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: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -164.770213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.770213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.770213 (E_RNA)
where:
Base-Base interactions energy: -50.887
where: short stacking energy: -42.896
Base-Backbone interact. energy: 1.639
local terms energy: -115.522381
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -40.521
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: 1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -694.936769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.936769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.936769 (E_RNA)
where:
Base-Base interactions energy: -469.964
where: short stacking energy: -195.214
Base-Backbone interact. energy: -1.957
local terms energy: -223.016033
where:
bonds (distance) C4'-P energy: -45.481
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -44.804
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -62.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -682.193186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.193186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.193186 (E_RNA)
where:
Base-Base interactions energy: -461.671
where: short stacking energy: -176.629
Base-Backbone interact. energy: -0.678
local terms energy: -219.844572
where:
bonds (distance) C4'-P energy: -41.732
bonds (distance) P-C4' energy: -44.999
flat angles C4'-P-C4' energy: -45.133
flat angles P-C4'-P energy: -29.574
tors. eta vs tors. theta energy: -58.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -665.135824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.135824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.135824 (E_RNA)
where:
Base-Base interactions energy: -452.859
where: short stacking energy: -199.367
Base-Backbone interact. energy: 1.805
local terms energy: -214.081763
where:
bonds (distance) C4'-P energy: -33.358
bonds (distance) P-C4' energy: -35.488
flat angles C4'-P-C4' energy: -45.615
flat angles P-C4'-P energy: -35.586
tors. eta vs tors. theta energy: -64.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -567.582298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.582298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.582298 (E_RNA)
where:
Base-Base interactions energy: -376.520
where: short stacking energy: -176.499
Base-Backbone interact. energy: 0.840
local terms energy: -191.902278
where:
bonds (distance) C4'-P energy: -32.763
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -47.213
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -55.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -544.950548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.950548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.950548 (E_RNA)
where:
Base-Base interactions energy: -359.879
where: short stacking energy: -153.087
Base-Backbone interact. energy: -0.352
local terms energy: -184.719766
where:
bonds (distance) C4'-P energy: -37.464
bonds (distance) P-C4' energy: -43.744
flat angles C4'-P-C4' energy: -34.297
flat angles P-C4'-P energy: -27.255
tors. eta vs tors. theta energy: -41.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -439.078448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.078448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.078448 (E_RNA)
where:
Base-Base interactions energy: -283.137
where: short stacking energy: -114.066
Base-Backbone interact. energy: -0.828
local terms energy: -155.113347
where:
bonds (distance) C4'-P energy: -32.758
bonds (distance) P-C4' energy: -40.577
flat angles C4'-P-C4' energy: -35.301
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -26.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -366.440649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.440649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.440649 (E_RNA)
where:
Base-Base interactions energy: -215.714
where: short stacking energy: -94.710
Base-Backbone interact. energy: 0.328
local terms energy: -151.054953
where:
bonds (distance) C4'-P energy: -34.599
bonds (distance) P-C4' energy: -37.339
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -278.207735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.207735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.207735 (E_RNA)
where:
Base-Base interactions energy: -142.172
where: short stacking energy: -62.714
Base-Backbone interact. energy: 1.674
local terms energy: -137.709788
where:
bonds (distance) C4'-P energy: -38.490
bonds (distance) P-C4' energy: -34.457
flat angles C4'-P-C4' energy: -37.086
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -188.148361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.148361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.148361 (E_RNA)
where:
Base-Base interactions energy: -68.056
where: short stacking energy: -41.852
Base-Backbone interact. energy: -0.369
local terms energy: -119.723330
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -42.097
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -17.931
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: 405
Temperature: 1.350000
Total energy: -158.682829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.682829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.682829 (E_RNA)
where:
Base-Base interactions energy: -58.185
where: short stacking energy: -39.386
Base-Backbone interact. energy: 0.853
local terms energy: -101.350310
where:
bonds (distance) C4'-P energy: -27.565
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -36.381
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: 7.614
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: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -698.506109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.506109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.506109 (E_RNA)
where:
Base-Base interactions energy: -484.748
where: short stacking energy: -197.248
Base-Backbone interact. energy: -1.927
local terms energy: -211.830286
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -39.382
flat angles C4'-P-C4' energy: -48.122
flat angles P-C4'-P energy: -28.572
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: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -674.872080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.872080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.872080 (E_RNA)
where:
Base-Base interactions energy: -453.118
where: short stacking energy: -180.112
Base-Backbone interact. energy: -1.237
local terms energy: -220.517811
where:
bonds (distance) C4'-P energy: -43.843
bonds (distance) P-C4' energy: -45.856
flat angles C4'-P-C4' energy: -43.231
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: -53.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -655.441580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.441580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.441580 (E_RNA)
where:
Base-Base interactions energy: -442.136
where: short stacking energy: -205.138
Base-Backbone interact. energy: -1.083
local terms energy: -212.222968
where:
bonds (distance) C4'-P energy: -34.611
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -45.857
flat angles P-C4'-P energy: -27.316
tors. eta vs tors. theta energy: -63.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -551.349418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.349418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.349418 (E_RNA)
where:
Base-Base interactions energy: -357.090
where: short stacking energy: -174.878
Base-Backbone interact. energy: -0.226
local terms energy: -194.033979
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -39.655
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -22.793
tors. eta vs tors. theta energy: -45.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -556.973709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.973709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.973709 (E_RNA)
where:
Base-Base interactions energy: -365.741
where: short stacking energy: -158.520
Base-Backbone interact. energy: -0.115
local terms energy: -191.118332
where:
bonds (distance) C4'-P energy: -40.571
bonds (distance) P-C4' energy: -40.558
flat angles C4'-P-C4' energy: -41.349
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -44.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -469.662159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.662159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.662159 (E_RNA)
where:
Base-Base interactions energy: -303.803
where: short stacking energy: -145.107
Base-Backbone interact. energy: -0.213
local terms energy: -165.645621
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -34.336
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -29.248
tors. eta vs tors. theta energy: -40.537
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: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -368.295470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.295470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.295470 (E_RNA)
where:
Base-Base interactions energy: -218.723
where: short stacking energy: -93.372
Base-Backbone interact. energy: -1.032
local terms energy: -148.540539
where:
bonds (distance) C4'-P energy: -39.746
bonds (distance) P-C4' energy: -33.894
flat angles C4'-P-C4' energy: -34.174
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -292.177776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.177776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.177776 (E_RNA)
where:
Base-Base interactions energy: -146.125
where: short stacking energy: -88.955
Base-Backbone interact. energy: -0.914
local terms energy: -145.138724
where:
bonds (distance) C4'-P energy: -35.809
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -41.434
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -15.495
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: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -181.131472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.131472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.131472 (E_RNA)
where:
Base-Base interactions energy: -52.261
where: short stacking energy: -47.451
Base-Backbone interact. energy: -1.000
local terms energy: -127.871050
where:
bonds (distance) C4'-P energy: -38.381
bonds (distance) P-C4' energy: -41.939
flat angles C4'-P-C4' energy: -29.525
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -158.005733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.005733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.005733 (E_RNA)
where:
Base-Base interactions energy: -40.340
where: short stacking energy: -42.506
Base-Backbone interact. energy: -0.317
local terms energy: -117.349046
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -698.201214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.201214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.201214 (E_RNA)
where:
Base-Base interactions energy: -489.455
where: short stacking energy: -195.192
Base-Backbone interact. energy: -0.085
local terms energy: -208.661304
where:
bonds (distance) C4'-P energy: -38.626
bonds (distance) P-C4' energy: -41.767
flat angles C4'-P-C4' energy: -43.533
flat angles P-C4'-P energy: -28.229
tors. eta vs tors. theta energy: -56.506
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: 407
Temperature: 0.950000
Total energy: -669.094567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.094567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.094567 (E_RNA)
where:
Base-Base interactions energy: -465.393
where: short stacking energy: -184.106
Base-Backbone interact. energy: -1.162
local terms energy: -202.539172
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -38.832
flat angles C4'-P-C4' energy: -44.065
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -58.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -648.221162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.221162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.221162 (E_RNA)
where:
Base-Base interactions energy: -443.386
where: short stacking energy: -199.495
Base-Backbone interact. energy: 1.449
local terms energy: -206.283776
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -48.837
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: -60.288
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: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -581.148437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.148437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.148437 (E_RNA)
where:
Base-Base interactions energy: -383.575
where: short stacking energy: -184.415
Base-Backbone interact. energy: -0.310
local terms energy: -197.263838
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -36.783
flat angles C4'-P-C4' energy: -43.086
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -50.374
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: 407
Temperature: 1.100000
Total energy: -542.140757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.140757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.140757 (E_RNA)
where:
Base-Base interactions energy: -347.389
where: short stacking energy: -155.019
Base-Backbone interact. energy: -0.323
local terms energy: -194.428856
where:
bonds (distance) C4'-P energy: -42.287
bonds (distance) P-C4' energy: -35.447
flat angles C4'-P-C4' energy: -39.989
flat angles P-C4'-P energy: -36.600
tors. eta vs tors. theta energy: -40.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -493.646255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.646255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.646255 (E_RNA)
where:
Base-Base interactions energy: -323.051
where: short stacking energy: -154.683
Base-Backbone interact. energy: -1.222
local terms energy: -169.373142
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -35.473
flat angles C4'-P-C4' energy: -39.977
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -46.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -351.314339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.314339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.314339 (E_RNA)
where:
Base-Base interactions energy: -208.776
where: short stacking energy: -84.946
Base-Backbone interact. energy: -1.018
local terms energy: -141.519818
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -41.125
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -301.885134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.885134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.885134 (E_RNA)
where:
Base-Base interactions energy: -153.170
where: short stacking energy: -89.814
Base-Backbone interact. energy: -0.343
local terms energy: -148.372472
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -37.572
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -189.989652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.989652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.989652 (E_RNA)
where:
Base-Base interactions energy: -75.337
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.493
local terms energy: -114.159092
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -33.172
flat angles P-C4'-P energy: -25.767
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: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -171.236351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.236351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.236351 (E_RNA)
where:
Base-Base interactions energy: -59.960
where: short stacking energy: -50.778
Base-Backbone interact. energy: 1.677
local terms energy: -112.952909
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -40.659
flat angles C4'-P-C4' energy: -26.518
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: 9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -693.836993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.836993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.836993 (E_RNA)
where:
Base-Base interactions energy: -480.938
where: short stacking energy: -203.696
Base-Backbone interact. energy: 0.609
local terms energy: -213.507861
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -41.750
flat angles C4'-P-C4' energy: -45.203
flat angles P-C4'-P energy: -27.771
tors. eta vs tors. theta energy: -57.080
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: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -685.282297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.282297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.282297 (E_RNA)
where:
Base-Base interactions energy: -470.006
where: short stacking energy: -188.771
Base-Backbone interact. energy: -0.432
local terms energy: -214.843800
where:
bonds (distance) C4'-P energy: -42.835
bonds (distance) P-C4' energy: -38.612
flat angles C4'-P-C4' energy: -45.404
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -57.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -653.951675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.951675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.951675 (E_RNA)
where:
Base-Base interactions energy: -455.890
where: short stacking energy: -199.434
Base-Backbone interact. energy: -0.051
local terms energy: -198.010655
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -34.276
flat angles C4'-P-C4' energy: -45.637
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -63.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -582.445936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.445936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.445936 (E_RNA)
where:
Base-Base interactions energy: -377.147
where: short stacking energy: -161.269
Base-Backbone interact. energy: -0.545
local terms energy: -204.753586
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -42.841
flat angles C4'-P-C4' energy: -40.665
flat angles P-C4'-P energy: -35.512
tors. eta vs tors. theta energy: -47.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -540.378772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.378772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.378772 (E_RNA)
where:
Base-Base interactions energy: -349.791
where: short stacking energy: -148.312
Base-Backbone interact. energy: -1.300
local terms energy: -189.288037
where:
bonds (distance) C4'-P energy: -34.314
bonds (distance) P-C4' energy: -30.539
flat angles C4'-P-C4' energy: -44.159
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -46.843
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: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -509.869501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.869501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.869501 (E_RNA)
where:
Base-Base interactions energy: -341.814
where: short stacking energy: -151.100
Base-Backbone interact. energy: 0.135
local terms energy: -168.190411
where:
bonds (distance) C4'-P energy: -39.652
bonds (distance) P-C4' energy: -35.709
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -37.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -367.098561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.098561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.098561 (E_RNA)
where:
Base-Base interactions energy: -221.835
where: short stacking energy: -108.599
Base-Backbone interact. energy: -0.422
local terms energy: -144.841660
where:
bonds (distance) C4'-P energy: -34.252
bonds (distance) P-C4' energy: -38.143
flat angles C4'-P-C4' energy: -36.242
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -21.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -277.160528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.160528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.160528 (E_RNA)
where:
Base-Base interactions energy: -147.955
where: short stacking energy: -71.735
Base-Backbone interact. energy: -0.810
local terms energy: -128.394895
where:
bonds (distance) C4'-P energy: -42.362
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -178.475576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.475576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.475576 (E_RNA)
where:
Base-Base interactions energy: -61.601
where: short stacking energy: -59.208
Base-Backbone interact. energy: 1.410
local terms energy: -118.284441
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -36.279
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -165.604206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.604206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.604206 (E_RNA)
where:
Base-Base interactions energy: -58.061
where: short stacking energy: -56.153
Base-Backbone interact. energy: 5.055
local terms energy: -112.598494
where:
bonds (distance) C4'-P energy: -41.352
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -29.537
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -685.039481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.039481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.039481 (E_RNA)
where:
Base-Base interactions energy: -451.854
where: short stacking energy: -186.068
Base-Backbone interact. energy: -1.348
local terms energy: -231.837786
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -42.757
flat angles C4'-P-C4' energy: -48.811
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -57.023
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: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -670.188529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.188529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.188529 (E_RNA)
where:
Base-Base interactions energy: -466.648
where: short stacking energy: -182.142
Base-Backbone interact. energy: -1.952
local terms energy: -201.588538
where:
bonds (distance) C4'-P energy: -36.505
bonds (distance) P-C4' energy: -38.829
flat angles C4'-P-C4' energy: -38.890
flat angles P-C4'-P energy: -27.496
tors. eta vs tors. theta energy: -59.868
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: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -654.637290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.637290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.637290 (E_RNA)
where:
Base-Base interactions energy: -443.357
where: short stacking energy: -193.344
Base-Backbone interact. energy: -0.217
local terms energy: -211.062474
where:
bonds (distance) C4'-P energy: -39.471
bonds (distance) P-C4' energy: -39.865
flat angles C4'-P-C4' energy: -42.975
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: -59.750
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: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -584.238465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.238465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.238465 (E_RNA)
where:
Base-Base interactions energy: -389.755
where: short stacking energy: -175.237
Base-Backbone interact. energy: -1.567
local terms energy: -192.916036
where:
bonds (distance) C4'-P energy: -34.893
bonds (distance) P-C4' energy: -44.100
flat angles C4'-P-C4' energy: -43.599
flat angles P-C4'-P energy: -23.413
tors. eta vs tors. theta energy: -46.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -545.248893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.248893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.248893 (E_RNA)
where:
Base-Base interactions energy: -369.084
where: short stacking energy: -156.258
Base-Backbone interact. energy: -0.400
local terms energy: -175.765269
where:
bonds (distance) C4'-P energy: -35.357
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -41.562
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -43.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -520.932066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.932066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.932066 (E_RNA)
where:
Base-Base interactions energy: -347.172
where: short stacking energy: -161.053
Base-Backbone interact. energy: 0.560
local terms energy: -174.319641
where:
bonds (distance) C4'-P energy: -34.506
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -38.369
flat angles P-C4'-P energy: -18.360
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: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -354.910732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.910732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.910732 (E_RNA)
where:
Base-Base interactions energy: -195.395
where: short stacking energy: -108.839
Base-Backbone interact. energy: 0.381
local terms energy: -159.895927
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -39.569
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -28.772
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: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -309.496180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.496180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.496180 (E_RNA)
where:
Base-Base interactions energy: -175.458
where: short stacking energy: -95.503
Base-Backbone interact. energy: -0.833
local terms energy: -133.205933
where:
bonds (distance) C4'-P energy: -42.245
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -30.996
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -183.477029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.477029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.477029 (E_RNA)
where:
Base-Base interactions energy: -88.524
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.973
local terms energy: -93.980399
where:
bonds (distance) C4'-P energy: -27.068
bonds (distance) P-C4' energy: -32.583
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: 7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -176.505551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.505551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.505551 (E_RNA)
where:
Base-Base interactions energy: -51.441
where: short stacking energy: -51.697
Base-Backbone interact. energy: -1.325
local terms energy: -123.739334
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -39.582
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -707.879747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.879747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.879747 (E_RNA)
where:
Base-Base interactions energy: -498.912
where: short stacking energy: -199.166
Base-Backbone interact. energy: -1.952
local terms energy: -207.015775
where:
bonds (distance) C4'-P energy: -37.861
bonds (distance) P-C4' energy: -40.536
flat angles C4'-P-C4' energy: -47.017
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -56.846
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: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -677.232767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.232767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.232767 (E_RNA)
where:
Base-Base interactions energy: -470.852
where: short stacking energy: -182.731
Base-Backbone interact. energy: 5.947
local terms energy: -212.327996
where:
bonds (distance) C4'-P energy: -41.100
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -45.508
flat angles P-C4'-P energy: -33.834
tors. eta vs tors. theta energy: -56.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -658.711817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.711817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.711817 (E_RNA)
where:
Base-Base interactions energy: -464.160
where: short stacking energy: -200.722
Base-Backbone interact. energy: -0.100
local terms energy: -194.451684
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -40.184
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: -61.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -577.442531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.442531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.442531 (E_RNA)
where:
Base-Base interactions energy: -381.882
where: short stacking energy: -150.569
Base-Backbone interact. energy: -1.293
local terms energy: -194.266862
where:
bonds (distance) C4'-P energy: -39.466
bonds (distance) P-C4' energy: -42.480
flat angles C4'-P-C4' energy: -40.890
flat angles P-C4'-P energy: -30.704
tors. eta vs tors. theta energy: -40.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -548.337747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.337747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.337747 (E_RNA)
where:
Base-Base interactions energy: -372.359
where: short stacking energy: -169.258
Base-Backbone interact. energy: -0.026
local terms energy: -175.952581
where:
bonds (distance) C4'-P energy: -28.315
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -40.192
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -45.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -537.689394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.689394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.689394 (E_RNA)
where:
Base-Base interactions energy: -355.866
where: short stacking energy: -151.674
Base-Backbone interact. energy: -0.348
local terms energy: -181.474621
where:
bonds (distance) C4'-P energy: -38.932
bonds (distance) P-C4' energy: -32.336
flat angles C4'-P-C4' energy: -38.972
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -45.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -373.163061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.163061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.163061 (E_RNA)
where:
Base-Base interactions energy: -215.109
where: short stacking energy: -94.307
Base-Backbone interact. energy: 0.667
local terms energy: -158.720983
where:
bonds (distance) C4'-P energy: -33.948
bonds (distance) P-C4' energy: -47.524
flat angles C4'-P-C4' energy: -39.438
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -16.166
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: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -272.741043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.741043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.741043 (E_RNA)
where:
Base-Base interactions energy: -156.686
where: short stacking energy: -87.035
Base-Backbone interact. energy: -0.630
local terms energy: -115.424618
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -9.412
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: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -183.606194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.606194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.606194 (E_RNA)
where:
Base-Base interactions energy: -50.827
where: short stacking energy: -50.827
Base-Backbone interact. energy: -0.656
local terms energy: -132.123070
where:
bonds (distance) C4'-P energy: -28.679
bonds (distance) P-C4' energy: -39.995
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -28.485
tors. eta vs tors. theta energy: -5.942
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: 410
Temperature: 1.350000
Total energy: -174.829391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.829391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.829391 (E_RNA)
where:
Base-Base interactions energy: -52.030
where: short stacking energy: -41.733
Base-Backbone interact. energy: -0.603
local terms energy: -122.196924
where:
bonds (distance) C4'-P energy: -38.510
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -37.238
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: 3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -695.664217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.664217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.664217 (E_RNA)
where:
Base-Base interactions energy: -480.622
where: short stacking energy: -186.388
Base-Backbone interact. energy: -1.156
local terms energy: -213.885975
where:
bonds (distance) C4'-P energy: -43.074
bonds (distance) P-C4' energy: -38.772
flat angles C4'-P-C4' energy: -43.043
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -58.158
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: 411
Temperature: 0.950000
Total energy: -678.907040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.907040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.907040 (E_RNA)
where:
Base-Base interactions energy: -467.378
where: short stacking energy: -198.808
Base-Backbone interact. energy: -0.326
local terms energy: -211.203102
where:
bonds (distance) C4'-P energy: -35.854
bonds (distance) P-C4' energy: -38.103
flat angles C4'-P-C4' energy: -42.834
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -60.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -661.870563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.870563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.870563 (E_RNA)
where:
Base-Base interactions energy: -458.684
where: short stacking energy: -174.625
Base-Backbone interact. energy: -0.585
local terms energy: -202.602301
where:
bonds (distance) C4'-P energy: -33.086
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -44.949
flat angles P-C4'-P energy: -28.089
tors. eta vs tors. theta energy: -54.234
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: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -597.485112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.485112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.485112 (E_RNA)
where:
Base-Base interactions energy: -410.488
where: short stacking energy: -175.150
Base-Backbone interact. energy: -1.053
local terms energy: -185.944143
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -41.631
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -52.725
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: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -575.004359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.004359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.004359 (E_RNA)
where:
Base-Base interactions energy: -397.990
where: short stacking energy: -163.135
Base-Backbone interact. energy: -1.884
local terms energy: -175.130913
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -28.125
tors. eta vs tors. theta energy: -39.369
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: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -504.217739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.217739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.217739 (E_RNA)
where:
Base-Base interactions energy: -325.695
where: short stacking energy: -138.730
Base-Backbone interact. energy: 0.546
local terms energy: -179.068875
where:
bonds (distance) C4'-P energy: -43.465
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -35.531
flat angles P-C4'-P energy: -27.676
tors. eta vs tors. theta energy: -37.590
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: 411
Temperature: 1.200000
Total energy: -403.270709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.270709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.270709 (E_RNA)
where:
Base-Base interactions energy: -236.382
where: short stacking energy: -118.087
Base-Backbone interact. energy: -0.693
local terms energy: -166.196112
where:
bonds (distance) C4'-P energy: -35.364
bonds (distance) P-C4' energy: -40.953
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: -32.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -302.424537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.424537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.424537 (E_RNA)
where:
Base-Base interactions energy: -155.793
where: short stacking energy: -81.200
Base-Backbone interact. energy: -0.904
local terms energy: -145.726859
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -36.623
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -17.008
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: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -188.929640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.929640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.929640 (E_RNA)
where:
Base-Base interactions energy: -61.977
where: short stacking energy: -48.370
Base-Backbone interact. energy: 0.513
local terms energy: -127.465730
where:
bonds (distance) C4'-P energy: -41.588
bonds (distance) P-C4' energy: -39.235
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -176.655882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.655882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.655882 (E_RNA)
where:
Base-Base interactions energy: -68.631
where: short stacking energy: -49.997
Base-Backbone interact. energy: -2.295
local terms energy: -105.730131
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: 4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -687.828619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.828619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.828619 (E_RNA)
where:
Base-Base interactions energy: -478.989
where: short stacking energy: -202.301
Base-Backbone interact. energy: -0.334
local terms energy: -208.506090
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -40.482
flat angles P-C4'-P energy: -27.967
tors. eta vs tors. theta energy: -61.079
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: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -689.635929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.635929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.635929 (E_RNA)
where:
Base-Base interactions energy: -472.725
where: short stacking energy: -190.157
Base-Backbone interact. energy: -1.330
local terms energy: -215.580295
where:
bonds (distance) C4'-P energy: -40.306
bonds (distance) P-C4' energy: -41.871
flat angles C4'-P-C4' energy: -46.752
flat angles P-C4'-P energy: -28.362
tors. eta vs tors. theta energy: -58.290
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: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -668.005485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.005485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.005485 (E_RNA)
where:
Base-Base interactions energy: -452.726
where: short stacking energy: -178.020
Base-Backbone interact. energy: -0.775
local terms energy: -214.503839
where:
bonds (distance) C4'-P energy: -42.608
bonds (distance) P-C4' energy: -40.260
flat angles C4'-P-C4' energy: -46.162
flat angles P-C4'-P energy: -28.742
tors. eta vs tors. theta energy: -56.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -593.902020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.902020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.902020 (E_RNA)
where:
Base-Base interactions energy: -381.356
where: short stacking energy: -169.797
Base-Backbone interact. energy: -0.448
local terms energy: -212.098560
where:
bonds (distance) C4'-P energy: -35.936
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -48.162
flat angles P-C4'-P energy: -28.262
tors. eta vs tors. theta energy: -55.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -512.816112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.816112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.816112 (E_RNA)
where:
Base-Base interactions energy: -340.001
where: short stacking energy: -146.462
Base-Backbone interact. energy: 0.655
local terms energy: -173.470281
where:
bonds (distance) C4'-P energy: -37.938
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -38.665
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -38.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -526.580518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.580518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.580518 (E_RNA)
where:
Base-Base interactions energy: -349.872
where: short stacking energy: -138.775
Base-Backbone interact. energy: -0.062
local terms energy: -176.646849
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -40.207
flat angles P-C4'-P energy: -28.538
tors. eta vs tors. theta energy: -40.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -378.106327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.106327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.106327 (E_RNA)
where:
Base-Base interactions energy: -212.304
where: short stacking energy: -89.880
Base-Backbone interact. energy: -0.038
local terms energy: -165.764714
where:
bonds (distance) C4'-P energy: -41.973
bonds (distance) P-C4' energy: -42.471
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -26.992
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: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -314.883536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.883536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.883536 (E_RNA)
where:
Base-Base interactions energy: -171.960
where: short stacking energy: -84.942
Base-Backbone interact. energy: 2.884
local terms energy: -145.808390
where:
bonds (distance) C4'-P energy: -32.681
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -41.295
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -187.502758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.502758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.502758 (E_RNA)
where:
Base-Base interactions energy: -72.283
where: short stacking energy: -63.414
Base-Backbone interact. energy: 0.417
local terms energy: -115.636654
where:
bonds (distance) C4'-P energy: -36.226
bonds (distance) P-C4' energy: -39.602
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -190.336008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.336008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.336008 (E_RNA)
where:
Base-Base interactions energy: -55.906
where: short stacking energy: -43.224
Base-Backbone interact. energy: -0.014
local terms energy: -134.416656
where:
bonds (distance) C4'-P energy: -38.843
bonds (distance) P-C4' energy: -33.731
flat angles C4'-P-C4' energy: -31.803
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -681.174626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.174626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.174626 (E_RNA)
where:
Base-Base interactions energy: -476.920
where: short stacking energy: -192.851
Base-Backbone interact. energy: 1.218
local terms energy: -205.473208
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -40.369
flat angles C4'-P-C4' energy: -44.499
flat angles P-C4'-P energy: -25.533
tors. eta vs tors. theta energy: -58.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -684.266781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.266781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.266781 (E_RNA)
where:
Base-Base interactions energy: -476.498
where: short stacking energy: -194.182
Base-Backbone interact. energy: -1.060
local terms energy: -206.708833
where:
bonds (distance) C4'-P energy: -32.488
bonds (distance) P-C4' energy: -40.777
flat angles C4'-P-C4' energy: -44.311
flat angles P-C4'-P energy: -31.312
tors. eta vs tors. theta energy: -57.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -648.544000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.544000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.544000 (E_RNA)
where:
Base-Base interactions energy: -448.348
where: short stacking energy: -179.781
Base-Backbone interact. energy: -0.345
local terms energy: -199.850594
where:
bonds (distance) C4'-P energy: -40.259
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -39.574
flat angles P-C4'-P energy: -30.482
tors. eta vs tors. theta energy: -55.365
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: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -594.374682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.374682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.374682 (E_RNA)
where:
Base-Base interactions energy: -394.632
where: short stacking energy: -187.124
Base-Backbone interact. energy: -0.029
local terms energy: -199.713326
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -38.521
flat angles C4'-P-C4' energy: -42.854
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -57.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -534.663712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.663712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.663712 (E_RNA)
where:
Base-Base interactions energy: -357.018
where: short stacking energy: -145.918
Base-Backbone interact. energy: 0.375
local terms energy: -178.020976
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -38.428
flat angles C4'-P-C4' energy: -45.493
flat angles P-C4'-P energy: -29.869
tors. eta vs tors. theta energy: -38.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -515.043212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.043212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.043212 (E_RNA)
where:
Base-Base interactions energy: -351.498
where: short stacking energy: -143.316
Base-Backbone interact. energy: 0.093
local terms energy: -163.637794
where:
bonds (distance) C4'-P energy: -28.647
bonds (distance) P-C4' energy: -34.366
flat angles C4'-P-C4' energy: -41.943
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -37.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -355.785180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.785180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.785180 (E_RNA)
where:
Base-Base interactions energy: -203.012
where: short stacking energy: -98.294
Base-Backbone interact. energy: -0.416
local terms energy: -152.357316
where:
bonds (distance) C4'-P energy: -28.596
bonds (distance) P-C4' energy: -36.033
flat angles C4'-P-C4' energy: -39.413
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -292.905831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.905831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.905831 (E_RNA)
where:
Base-Base interactions energy: -166.476
where: short stacking energy: -73.214
Base-Backbone interact. energy: -0.561
local terms energy: -125.868391
where:
bonds (distance) C4'-P energy: -31.778
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -31.671
flat angles P-C4'-P energy: -23.795
tors. eta vs tors. theta energy: -14.153
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: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -202.884572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.884572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.884572 (E_RNA)
where:
Base-Base interactions energy: -71.816
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.083
local terms energy: -130.985607
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -42.571
flat angles C4'-P-C4' energy: -38.172
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -184.371510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.371510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.371510 (E_RNA)
where:
Base-Base interactions energy: -78.140
where: short stacking energy: -60.570
Base-Backbone interact. energy: -1.584
local terms energy: -104.647953
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -698.761577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.761577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.761577 (E_RNA)
where:
Base-Base interactions energy: -491.683
where: short stacking energy: -196.837
Base-Backbone interact. energy: -2.525
local terms energy: -204.553498
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -40.524
flat angles C4'-P-C4' energy: -42.975
flat angles P-C4'-P energy: -25.657
tors. eta vs tors. theta energy: -57.779
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: 414
Temperature: 0.950000
Total energy: -670.222514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.222514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.222514 (E_RNA)
where:
Base-Base interactions energy: -466.844
where: short stacking energy: -187.237
Base-Backbone interact. energy: -0.742
local terms energy: -202.636948
where:
bonds (distance) C4'-P energy: -42.512
bonds (distance) P-C4' energy: -36.320
flat angles C4'-P-C4' energy: -44.979
flat angles P-C4'-P energy: -26.424
tors. eta vs tors. theta energy: -52.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -645.653897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.653897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.653897 (E_RNA)
where:
Base-Base interactions energy: -442.910
where: short stacking energy: -172.993
Base-Backbone interact. energy: 0.177
local terms energy: -202.920197
where:
bonds (distance) C4'-P energy: -40.544
bonds (distance) P-C4' energy: -34.802
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -29.537
tors. eta vs tors. theta energy: -52.017
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: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -569.969912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.969912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.969912 (E_RNA)
where:
Base-Base interactions energy: -388.892
where: short stacking energy: -164.113
Base-Backbone interact. energy: -0.155
local terms energy: -180.923120
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -40.701
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -50.725
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: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -536.198531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.198531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.198531 (E_RNA)
where:
Base-Base interactions energy: -354.205
where: short stacking energy: -161.789
Base-Backbone interact. energy: 0.875
local terms energy: -182.868554
where:
bonds (distance) C4'-P energy: -29.788
bonds (distance) P-C4' energy: -44.346
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -42.813
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: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -526.201300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.201300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.201300 (E_RNA)
where:
Base-Base interactions energy: -346.838
where: short stacking energy: -149.112
Base-Backbone interact. energy: -0.811
local terms energy: -178.552312
where:
bonds (distance) C4'-P energy: -30.098
bonds (distance) P-C4' energy: -37.904
flat angles C4'-P-C4' energy: -42.303
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -46.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -369.136455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.136455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.136455 (E_RNA)
where:
Base-Base interactions energy: -208.373
where: short stacking energy: -115.445
Base-Backbone interact. energy: -0.402
local terms energy: -160.361138
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -30.187
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -26.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -278.214653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.214653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.214653 (E_RNA)
where:
Base-Base interactions energy: -147.427
where: short stacking energy: -83.355
Base-Backbone interact. energy: -0.975
local terms energy: -129.813431
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -39.003
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -182.178099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.178099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.178099 (E_RNA)
where:
Base-Base interactions energy: -56.984
where: short stacking energy: -52.509
Base-Backbone interact. energy: -0.891
local terms energy: -124.303753
where:
bonds (distance) C4'-P energy: -36.450
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -40.046
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: 0.724
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: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -167.498238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.498238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.498238 (E_RNA)
where:
Base-Base interactions energy: -70.862
where: short stacking energy: -51.214
Base-Backbone interact. energy: -0.247
local terms energy: -96.389363
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -35.925
flat angles C4'-P-C4' energy: -27.357
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: 4.111
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: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -688.110166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.110166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.110166 (E_RNA)
where:
Base-Base interactions energy: -474.646
where: short stacking energy: -187.063
Base-Backbone interact. energy: -1.981
local terms energy: -211.482893
where:
bonds (distance) C4'-P energy: -41.053
bonds (distance) P-C4' energy: -44.400
flat angles C4'-P-C4' energy: -45.246
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -55.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -671.896294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.896294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.896294 (E_RNA)
where:
Base-Base interactions energy: -463.939
where: short stacking energy: -206.700
Base-Backbone interact. energy: -0.969
local terms energy: -206.988490
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -35.048
flat angles C4'-P-C4' energy: -46.488
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -61.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -645.415198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.415198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.415198 (E_RNA)
where:
Base-Base interactions energy: -451.338
where: short stacking energy: -185.116
Base-Backbone interact. energy: 0.335
local terms energy: -194.412260
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -39.418
flat angles C4'-P-C4' energy: -40.194
flat angles P-C4'-P energy: -26.818
tors. eta vs tors. theta energy: -56.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -585.255060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.255060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.255060 (E_RNA)
where:
Base-Base interactions energy: -383.153
where: short stacking energy: -167.953
Base-Backbone interact. energy: -1.247
local terms energy: -200.855145
where:
bonds (distance) C4'-P energy: -33.162
bonds (distance) P-C4' energy: -39.834
flat angles C4'-P-C4' energy: -45.863
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -54.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -535.466640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.466640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.466640 (E_RNA)
where:
Base-Base interactions energy: -353.193
where: short stacking energy: -144.532
Base-Backbone interact. energy: -0.677
local terms energy: -181.596044
where:
bonds (distance) C4'-P energy: -40.203
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -39.964
flat angles P-C4'-P energy: -26.483
tors. eta vs tors. theta energy: -33.920
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: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -552.226080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.226080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.226080 (E_RNA)
where:
Base-Base interactions energy: -371.231
where: short stacking energy: -154.280
Base-Backbone interact. energy: -0.288
local terms energy: -180.707165
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: -49.103
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: 415
Temperature: 1.200000
Total energy: -368.854772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.854772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.854772 (E_RNA)
where:
Base-Base interactions energy: -196.015
where: short stacking energy: -103.557
Base-Backbone interact. energy: 0.755
local terms energy: -173.594627
where:
bonds (distance) C4'-P energy: -44.737
bonds (distance) P-C4' energy: -39.041
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -30.111
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -194.629463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.629463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.629463 (E_RNA)
where:
Base-Base interactions energy: -63.661
where: short stacking energy: -57.095
Base-Backbone interact. energy: -0.494
local terms energy: -130.474258
where:
bonds (distance) C4'-P energy: -30.672
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -22.076
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: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -269.676560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.676560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.676560 (E_RNA)
where:
Base-Base interactions energy: -148.705
where: short stacking energy: -74.800
Base-Backbone interact. energy: -2.547
local terms energy: -118.424084
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -35.295
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -178.409920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.409920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.409920 (E_RNA)
where:
Base-Base interactions energy: -71.211
where: short stacking energy: -47.573
Base-Backbone interact. energy: 0.193
local terms energy: -107.392261
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -33.935
flat angles C4'-P-C4' energy: -35.964
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: 3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -686.637450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.637450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.637450 (E_RNA)
where:
Base-Base interactions energy: -472.937
where: short stacking energy: -193.230
Base-Backbone interact. energy: -0.831
local terms energy: -212.869689
where:
bonds (distance) C4'-P energy: -44.572
bonds (distance) P-C4' energy: -34.733
flat angles C4'-P-C4' energy: -43.963
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -61.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -677.630507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.630507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.630507 (E_RNA)
where:
Base-Base interactions energy: -469.618
where: short stacking energy: -191.181
Base-Backbone interact. energy: -0.113
local terms energy: -207.899566
where:
bonds (distance) C4'-P energy: -38.820
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -43.024
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -64.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -648.982662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.982662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.982662 (E_RNA)
where:
Base-Base interactions energy: -451.515
where: short stacking energy: -172.447
Base-Backbone interact. energy: -1.495
local terms energy: -195.971964
where:
bonds (distance) C4'-P energy: -41.082
bonds (distance) P-C4' energy: -41.354
flat angles C4'-P-C4' energy: -38.382
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -51.850
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: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -601.211399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.211399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.211399 (E_RNA)
where:
Base-Base interactions energy: -404.044
where: short stacking energy: -175.088
Base-Backbone interact. energy: -0.169
local terms energy: -196.999011
where:
bonds (distance) C4'-P energy: -37.202
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -41.559
flat angles P-C4'-P energy: -30.576
tors. eta vs tors. theta energy: -53.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -535.546527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.546527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.546527 (E_RNA)
where:
Base-Base interactions energy: -352.239
where: short stacking energy: -148.521
Base-Backbone interact. energy: -0.320
local terms energy: -182.987759
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -38.462
flat angles C4'-P-C4' energy: -42.093
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -43.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -522.817403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.817403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.817403 (E_RNA)
where:
Base-Base interactions energy: -358.678
where: short stacking energy: -153.926
Base-Backbone interact. energy: -0.653
local terms energy: -163.486016
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -30.959
flat angles C4'-P-C4' energy: -44.056
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -36.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -379.618936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.618936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.618936 (E_RNA)
where:
Base-Base interactions energy: -224.269
where: short stacking energy: -119.794
Base-Backbone interact. energy: 0.308
local terms energy: -155.658009
where:
bonds (distance) C4'-P energy: -40.321
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -44.408
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -187.203045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.203045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.203045 (E_RNA)
where:
Base-Base interactions energy: -63.929
where: short stacking energy: -52.663
Base-Backbone interact. energy: -2.355
local terms energy: -120.919209
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -35.655
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -270.060225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.060225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.060225 (E_RNA)
where:
Base-Base interactions energy: -146.713
where: short stacking energy: -74.850
Base-Backbone interact. energy: -0.287
local terms energy: -123.060408
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -31.748
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: -8.837
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: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -177.822915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.822915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.822915 (E_RNA)
where:
Base-Base interactions energy: -62.526
where: short stacking energy: -58.134
Base-Backbone interact. energy: 0.489
local terms energy: -115.785878
where:
bonds (distance) C4'-P energy: -35.077
bonds (distance) P-C4' energy: -40.068
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -3.025
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: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -695.542353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.542353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.542353 (E_RNA)
where:
Base-Base interactions energy: -480.634
where: short stacking energy: -199.777
Base-Backbone interact. energy: -1.288
local terms energy: -213.620839
where:
bonds (distance) C4'-P energy: -38.705
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -45.848
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -58.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -672.820650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.820650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.820650 (E_RNA)
where:
Base-Base interactions energy: -462.833
where: short stacking energy: -174.217
Base-Backbone interact. energy: -0.129
local terms energy: -209.859175
where:
bonds (distance) C4'-P energy: -42.812
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -55.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -668.294767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.294767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.294767 (E_RNA)
where:
Base-Base interactions energy: -456.567
where: short stacking energy: -202.154
Base-Backbone interact. energy: 0.665
local terms energy: -212.392611
where:
bonds (distance) C4'-P energy: -29.334
bonds (distance) P-C4' energy: -40.667
flat angles C4'-P-C4' energy: -44.270
flat angles P-C4'-P energy: -36.282
tors. eta vs tors. theta energy: -61.839
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: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -596.572858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.572858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.572858 (E_RNA)
where:
Base-Base interactions energy: -392.026
where: short stacking energy: -181.473
Base-Backbone interact. energy: -0.169
local terms energy: -204.378160
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -51.976
flat angles P-C4'-P energy: -26.229
tors. eta vs tors. theta energy: -56.771
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: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -525.943807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.943807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.943807 (E_RNA)
where:
Base-Base interactions energy: -347.452
where: short stacking energy: -142.078
Base-Backbone interact. energy: -1.748
local terms energy: -176.743208
where:
bonds (distance) C4'-P energy: -35.093
bonds (distance) P-C4' energy: -34.504
flat angles C4'-P-C4' energy: -41.337
flat angles P-C4'-P energy: -25.003
tors. eta vs tors. theta energy: -40.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -517.197250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.197250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.197250 (E_RNA)
where:
Base-Base interactions energy: -348.610
where: short stacking energy: -132.358
Base-Backbone interact. energy: -0.986
local terms energy: -167.601561
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -41.028
flat angles C4'-P-C4' energy: -36.314
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -28.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -362.917430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.917430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.917430 (E_RNA)
where:
Base-Base interactions energy: -205.469
where: short stacking energy: -104.540
Base-Backbone interact. energy: -0.605
local terms energy: -156.843300
where:
bonds (distance) C4'-P energy: -37.672
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -44.326
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -301.625827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.625827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.625827 (E_RNA)
where:
Base-Base interactions energy: -172.444
where: short stacking energy: -87.819
Base-Backbone interact. energy: -0.480
local terms energy: -128.701319
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -34.652
flat angles C4'-P-C4' energy: -35.409
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: -12.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -177.595087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.595087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.595087 (E_RNA)
where:
Base-Base interactions energy: -65.505
where: short stacking energy: -50.798
Base-Backbone interact. energy: -1.257
local terms energy: -110.833043
where:
bonds (distance) C4'-P energy: -29.738
bonds (distance) P-C4' energy: -41.200
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: 2.188
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: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -170.026413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.026413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.026413 (E_RNA)
where:
Base-Base interactions energy: -62.317
where: short stacking energy: -52.655
Base-Backbone interact. energy: -0.663
local terms energy: -107.046821
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -29.312
flat angles P-C4'-P energy: -8.943
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: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -670.911632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.911632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.911632 (E_RNA)
where:
Base-Base interactions energy: -472.999
where: short stacking energy: -173.395
Base-Backbone interact. energy: -1.090
local terms energy: -196.823473
where:
bonds (distance) C4'-P energy: -37.392
bonds (distance) P-C4' energy: -39.687
flat angles C4'-P-C4' energy: -44.726
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -49.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -687.585266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.585266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.585266 (E_RNA)
where:
Base-Base interactions energy: -482.071
where: short stacking energy: -197.067
Base-Backbone interact. energy: -0.835
local terms energy: -204.679718
where:
bonds (distance) C4'-P energy: -36.618
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -43.905
flat angles P-C4'-P energy: -32.086
tors. eta vs tors. theta energy: -59.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -670.014330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.014330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.014330 (E_RNA)
where:
Base-Base interactions energy: -453.313
where: short stacking energy: -192.016
Base-Backbone interact. energy: -0.247
local terms energy: -216.454944
where:
bonds (distance) C4'-P energy: -38.532
bonds (distance) P-C4' energy: -43.299
flat angles C4'-P-C4' energy: -42.494
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: -57.937
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: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -600.731539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.731539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.731539 (E_RNA)
where:
Base-Base interactions energy: -407.993
where: short stacking energy: -193.052
Base-Backbone interact. energy: -1.639
local terms energy: -191.099631
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -29.186
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: -57.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -556.602198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.602198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.602198 (E_RNA)
where:
Base-Base interactions energy: -358.909
where: short stacking energy: -158.591
Base-Backbone interact. energy: 0.162
local terms energy: -197.854623
where:
bonds (distance) C4'-P energy: -38.763
bonds (distance) P-C4' energy: -36.076
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -29.769
tors. eta vs tors. theta energy: -52.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -522.158075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.158075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.158075 (E_RNA)
where:
Base-Base interactions energy: -357.140
where: short stacking energy: -156.171
Base-Backbone interact. energy: -1.127
local terms energy: -163.891297
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -41.096
flat angles P-C4'-P energy: -28.257
tors. eta vs tors. theta energy: -41.175
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: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -372.703055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.703055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.703055 (E_RNA)
where:
Base-Base interactions energy: -236.043
where: short stacking energy: -107.120
Base-Backbone interact. energy: -2.319
local terms energy: -134.340919
where:
bonds (distance) C4'-P energy: -30.003
bonds (distance) P-C4' energy: -31.327
flat angles C4'-P-C4' energy: -30.497
flat angles P-C4'-P energy: -22.268
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -284.779587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.779587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.779587 (E_RNA)
where:
Base-Base interactions energy: -150.105
where: short stacking energy: -79.306
Base-Backbone interact. energy: -0.885
local terms energy: -133.789746
where:
bonds (distance) C4'-P energy: -36.543
bonds (distance) P-C4' energy: -35.183
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -26.034
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -196.724013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.724013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.724013 (E_RNA)
where:
Base-Base interactions energy: -76.795
where: short stacking energy: -54.014
Base-Backbone interact. energy: 0.141
local terms energy: -120.070354
where:
bonds (distance) C4'-P energy: -36.665
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -39.936
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: 3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -188.427686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.427686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.427686 (E_RNA)
where:
Base-Base interactions energy: -65.369
where: short stacking energy: -58.848
Base-Backbone interact. energy: -0.587
local terms energy: -122.472183
where:
bonds (distance) C4'-P energy: -40.744
bonds (distance) P-C4' energy: -35.179
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -12.755
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: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -695.533629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.533629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.533629 (E_RNA)
where:
Base-Base interactions energy: -485.067
where: short stacking energy: -190.735
Base-Backbone interact. energy: -0.242
local terms energy: -210.224519
where:
bonds (distance) C4'-P energy: -39.020
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -37.262
flat angles P-C4'-P energy: -27.316
tors. eta vs tors. theta energy: -59.095
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: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -674.730501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.730501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.730501 (E_RNA)
where:
Base-Base interactions energy: -460.291
where: short stacking energy: -184.885
Base-Backbone interact. energy: -1.661
local terms energy: -212.778452
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -42.759
flat angles C4'-P-C4' energy: -41.784
flat angles P-C4'-P energy: -28.359
tors. eta vs tors. theta energy: -53.654
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: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -672.588371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.588371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.588371 (E_RNA)
where:
Base-Base interactions energy: -471.004
where: short stacking energy: -193.872
Base-Backbone interact. energy: -0.043
local terms energy: -201.541260
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -37.189
flat angles C4'-P-C4' energy: -40.100
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: -60.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -584.223618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.223618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.223618 (E_RNA)
where:
Base-Base interactions energy: -394.309
where: short stacking energy: -164.024
Base-Backbone interact. energy: -0.870
local terms energy: -189.044823
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -46.144
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: -52.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -555.931022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.931022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.931022 (E_RNA)
where:
Base-Base interactions energy: -364.725
where: short stacking energy: -158.441
Base-Backbone interact. energy: -0.967
local terms energy: -190.238187
where:
bonds (distance) C4'-P energy: -33.461
bonds (distance) P-C4' energy: -44.433
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -27.115
tors. eta vs tors. theta energy: -49.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -511.623774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.623774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.623774 (E_RNA)
where:
Base-Base interactions energy: -345.025
where: short stacking energy: -142.426
Base-Backbone interact. energy: -1.232
local terms energy: -165.366455
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -33.797
flat angles C4'-P-C4' energy: -45.941
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -31.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -367.211742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.211742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.211742 (E_RNA)
where:
Base-Base interactions energy: -221.768
where: short stacking energy: -102.460
Base-Backbone interact. energy: -1.258
local terms energy: -144.185750
where:
bonds (distance) C4'-P energy: -29.929
bonds (distance) P-C4' energy: -40.394
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -23.164
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: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -298.728582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.728582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.728582 (E_RNA)
where:
Base-Base interactions energy: -154.919
where: short stacking energy: -92.107
Base-Backbone interact. energy: -0.453
local terms energy: -143.356249
where:
bonds (distance) C4'-P energy: -32.895
bonds (distance) P-C4' energy: -24.730
flat angles C4'-P-C4' energy: -37.909
flat angles P-C4'-P energy: -26.086
tors. eta vs tors. theta energy: -21.735
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: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -173.233258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.233258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.233258 (E_RNA)
where:
Base-Base interactions energy: -64.281
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.818
local terms energy: -108.134517
where:
bonds (distance) C4'-P energy: -37.567
bonds (distance) P-C4' energy: -30.618
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: 4.478
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: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -176.424477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.424477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.424477 (E_RNA)
where:
Base-Base interactions energy: -71.412
where: short stacking energy: -52.091
Base-Backbone interact. energy: -0.188
local terms energy: -104.823852
where:
bonds (distance) C4'-P energy: -33.077
bonds (distance) P-C4' energy: -40.598
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: 7.049
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: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -677.062978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.062978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.062978 (E_RNA)
where:
Base-Base interactions energy: -464.271
where: short stacking energy: -184.006
Base-Backbone interact. energy: 0.386
local terms energy: -213.178644
where:
bonds (distance) C4'-P energy: -40.579
bonds (distance) P-C4' energy: -42.489
flat angles C4'-P-C4' energy: -42.483
flat angles P-C4'-P energy: -28.145
tors. eta vs tors. theta energy: -59.483
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: 420
Temperature: 0.950000
Total energy: -680.286753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.286753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.286753 (E_RNA)
where:
Base-Base interactions energy: -482.281
where: short stacking energy: -194.885
Base-Backbone interact. energy: -0.947
local terms energy: -197.057901
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -37.649
flat angles C4'-P-C4' energy: -42.898
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -60.114
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: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -687.965875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.965875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.965875 (E_RNA)
where:
Base-Base interactions energy: -479.556
where: short stacking energy: -205.942
Base-Backbone interact. energy: 1.571
local terms energy: -209.980505
where:
bonds (distance) C4'-P energy: -38.941
bonds (distance) P-C4' energy: -36.497
flat angles C4'-P-C4' energy: -42.197
flat angles P-C4'-P energy: -30.335
tors. eta vs tors. theta energy: -62.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -603.909528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.909528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.909528 (E_RNA)
where:
Base-Base interactions energy: -401.048
where: short stacking energy: -168.388
Base-Backbone interact. energy: -1.241
local terms energy: -201.619728
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -39.103
flat angles C4'-P-C4' energy: -42.593
flat angles P-C4'-P energy: -29.854
tors. eta vs tors. theta energy: -51.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -544.930778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.930778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.930778 (E_RNA)
where:
Base-Base interactions energy: -348.921
where: short stacking energy: -149.141
Base-Backbone interact. energy: -0.919
local terms energy: -195.090776
where:
bonds (distance) C4'-P energy: -39.003
bonds (distance) P-C4' energy: -43.050
flat angles C4'-P-C4' energy: -41.776
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: -44.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -520.344126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.344126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.344126 (E_RNA)
where:
Base-Base interactions energy: -343.698
where: short stacking energy: -150.552
Base-Backbone interact. energy: -1.064
local terms energy: -175.581944
where:
bonds (distance) C4'-P energy: -36.612
bonds (distance) P-C4' energy: -39.916
flat angles C4'-P-C4' energy: -38.326
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -40.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -377.875331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.875331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.875331 (E_RNA)
where:
Base-Base interactions energy: -240.287
where: short stacking energy: -96.718
Base-Backbone interact. energy: -1.762
local terms energy: -135.825911
where:
bonds (distance) C4'-P energy: -29.977
bonds (distance) P-C4' energy: -32.121
flat angles C4'-P-C4' energy: -35.909
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -16.799
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: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -253.405351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.405351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.405351 (E_RNA)
where:
Base-Base interactions energy: -122.476
where: short stacking energy: -60.162
Base-Backbone interact. energy: -1.394
local terms energy: -129.534774
where:
bonds (distance) C4'-P energy: -33.135
bonds (distance) P-C4' energy: -38.255
flat angles C4'-P-C4' energy: -33.512
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -189.043044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.043044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.043044 (E_RNA)
where:
Base-Base interactions energy: -83.494
where: short stacking energy: -61.034
Base-Backbone interact. energy: -0.612
local terms energy: -104.937723
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -40.868
flat angles C4'-P-C4' energy: -36.410
flat angles P-C4'-P energy: -8.673
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: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -168.105326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.105326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.105326 (E_RNA)
where:
Base-Base interactions energy: -63.950
where: short stacking energy: -57.594
Base-Backbone interact. energy: -0.739
local terms energy: -103.416551
where:
bonds (distance) C4'-P energy: -35.260
bonds (distance) P-C4' energy: -35.221
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: 5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -679.743733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.743733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.743733 (E_RNA)
where:
Base-Base interactions energy: -470.771
where: short stacking energy: -192.763
Base-Backbone interact. energy: -0.089
local terms energy: -208.883999
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -36.409
flat angles C4'-P-C4' energy: -48.066
flat angles P-C4'-P energy: -33.334
tors. eta vs tors. theta energy: -51.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -683.476886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.476886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.476886 (E_RNA)
where:
Base-Base interactions energy: -463.104
where: short stacking energy: -213.502
Base-Backbone interact. energy: -0.035
local terms energy: -220.337560
where:
bonds (distance) C4'-P energy: -43.724
bonds (distance) P-C4' energy: -37.589
flat angles C4'-P-C4' energy: -42.860
flat angles P-C4'-P energy: -30.926
tors. eta vs tors. theta energy: -65.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -660.977926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.977926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.977926 (E_RNA)
where:
Base-Base interactions energy: -452.270
where: short stacking energy: -196.216
Base-Backbone interact. energy: 0.807
local terms energy: -209.514156
where:
bonds (distance) C4'-P energy: -42.368
bonds (distance) P-C4' energy: -40.062
flat angles C4'-P-C4' energy: -38.973
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -57.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -603.389549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.389549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.389549 (E_RNA)
where:
Base-Base interactions energy: -400.403
where: short stacking energy: -183.639
Base-Backbone interact. energy: -0.783
local terms energy: -202.203676
where:
bonds (distance) C4'-P energy: -37.766
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -43.419
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -57.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -553.020708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.020708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.020708 (E_RNA)
where:
Base-Base interactions energy: -376.091
where: short stacking energy: -169.322
Base-Backbone interact. energy: -0.019
local terms energy: -176.910205
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -45.077
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -50.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -513.832899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.832899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.832899 (E_RNA)
where:
Base-Base interactions energy: -349.706
where: short stacking energy: -137.577
Base-Backbone interact. energy: 0.056
local terms energy: -164.183296
where:
bonds (distance) C4'-P energy: -40.534
bonds (distance) P-C4' energy: -39.910
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -360.423899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.423899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.423899 (E_RNA)
where:
Base-Base interactions energy: -204.056
where: short stacking energy: -88.534
Base-Backbone interact. energy: -0.662
local terms energy: -155.705427
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -40.581
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -234.690923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.690923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.690923 (E_RNA)
where:
Base-Base interactions energy: -91.453
where: short stacking energy: -44.351
Base-Backbone interact. energy: -0.532
local terms energy: -142.706518
where:
bonds (distance) C4'-P energy: -36.966
bonds (distance) P-C4' energy: -41.230
flat angles C4'-P-C4' energy: -38.013
flat angles P-C4'-P energy: -29.129
tors. eta vs tors. theta energy: 2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -174.924227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.924227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.924227 (E_RNA)
where:
Base-Base interactions energy: -53.095
where: short stacking energy: -42.786
Base-Backbone interact. energy: -0.781
local terms energy: -121.048324
where:
bonds (distance) C4'-P energy: -33.683
bonds (distance) P-C4' energy: -38.936
flat angles C4'-P-C4' energy: -33.668
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: 7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -175.375011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.375011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.375011 (E_RNA)
where:
Base-Base interactions energy: -64.667
where: short stacking energy: -43.354
Base-Backbone interact. energy: -1.959
local terms energy: -108.749106
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -697.286568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.286568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.286568 (E_RNA)
where:
Base-Base interactions energy: -475.976
where: short stacking energy: -205.923
Base-Backbone interact. energy: -0.113
local terms energy: -221.198309
where:
bonds (distance) C4'-P energy: -41.661
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -42.142
flat angles P-C4'-P energy: -33.722
tors. eta vs tors. theta energy: -60.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -663.812673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.812673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.812673 (E_RNA)
where:
Base-Base interactions energy: -468.428
where: short stacking energy: -170.037
Base-Backbone interact. energy: 1.463
local terms energy: -196.847246
where:
bonds (distance) C4'-P energy: -37.397
bonds (distance) P-C4' energy: -37.974
flat angles C4'-P-C4' energy: -40.812
flat angles P-C4'-P energy: -30.000
tors. eta vs tors. theta energy: -50.665
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: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -672.903734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.903734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.903734 (E_RNA)
where:
Base-Base interactions energy: -456.126
where: short stacking energy: -185.402
Base-Backbone interact. energy: 0.231
local terms energy: -217.008840
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -46.245
flat angles C4'-P-C4' energy: -43.683
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -58.300
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: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -604.673972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.673972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.673972 (E_RNA)
where:
Base-Base interactions energy: -407.944
where: short stacking energy: -191.594
Base-Backbone interact. energy: -0.272
local terms energy: -196.457774
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -42.069
flat angles P-C4'-P energy: -28.119
tors. eta vs tors. theta energy: -57.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -533.445394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.445394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.445394 (E_RNA)
where:
Base-Base interactions energy: -355.337
where: short stacking energy: -140.118
Base-Backbone interact. energy: -0.090
local terms energy: -178.017792
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -42.436
flat angles C4'-P-C4' energy: -44.624
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -36.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -541.808987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.808987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.808987 (E_RNA)
where:
Base-Base interactions energy: -346.585
where: short stacking energy: -166.000
Base-Backbone interact. energy: -0.745
local terms energy: -194.479687
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -37.365
flat angles C4'-P-C4' energy: -43.848
flat angles P-C4'-P energy: -26.947
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: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -345.044250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.044250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.044250 (E_RNA)
where:
Base-Base interactions energy: -207.942
where: short stacking energy: -94.719
Base-Backbone interact. energy: -0.683
local terms energy: -136.419435
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -38.674
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -204.239714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.239714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.239714 (E_RNA)
where:
Base-Base interactions energy: -81.419
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.961
local terms energy: -121.859569
where:
bonds (distance) C4'-P energy: -29.763
bonds (distance) P-C4' energy: -42.779
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -172.299068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.299068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.299068 (E_RNA)
where:
Base-Base interactions energy: -58.525
where: short stacking energy: -45.894
Base-Backbone interact. energy: -1.254
local terms energy: -112.520103
where:
bonds (distance) C4'-P energy: -39.419
bonds (distance) P-C4' energy: -36.082
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: 7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -166.076014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.076014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.076014 (E_RNA)
where:
Base-Base interactions energy: -52.163
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.311
local terms energy: -113.602082
where:
bonds (distance) C4'-P energy: -39.205
bonds (distance) P-C4' energy: -37.245
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: 3.177
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: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -692.351153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.351153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.351153 (E_RNA)
where:
Base-Base interactions energy: -480.239
where: short stacking energy: -202.148
Base-Backbone interact. energy: -1.019
local terms energy: -211.093465
where:
bonds (distance) C4'-P energy: -41.318
bonds (distance) P-C4' energy: -43.011
flat angles C4'-P-C4' energy: -39.672
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -58.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -672.902263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.902263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.902263 (E_RNA)
where:
Base-Base interactions energy: -466.122
where: short stacking energy: -196.899
Base-Backbone interact. energy: 1.575
local terms energy: -208.355192
where:
bonds (distance) C4'-P energy: -33.182
bonds (distance) P-C4' energy: -42.537
flat angles C4'-P-C4' energy: -45.287
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -60.244
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: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -670.174633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.174633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.174633 (E_RNA)
where:
Base-Base interactions energy: -475.818
where: short stacking energy: -191.998
Base-Backbone interact. energy: -1.140
local terms energy: -193.217273
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -39.019
flat angles C4'-P-C4' energy: -40.740
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -52.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -610.475167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.475167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.475167 (E_RNA)
where:
Base-Base interactions energy: -394.455
where: short stacking energy: -175.735
Base-Backbone interact. energy: -0.581
local terms energy: -215.438598
where:
bonds (distance) C4'-P energy: -41.640
bonds (distance) P-C4' energy: -37.457
flat angles C4'-P-C4' energy: -42.006
flat angles P-C4'-P energy: -35.550
tors. eta vs tors. theta energy: -58.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -546.223527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.223527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.223527 (E_RNA)
where:
Base-Base interactions energy: -369.065
where: short stacking energy: -153.351
Base-Backbone interact. energy: -0.783
local terms energy: -176.376470
where:
bonds (distance) C4'-P energy: -35.981
bonds (distance) P-C4' energy: -36.731
flat angles C4'-P-C4' energy: -38.633
flat angles P-C4'-P energy: -27.347
tors. eta vs tors. theta energy: -37.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -538.306303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.306303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.306303 (E_RNA)
where:
Base-Base interactions energy: -352.592
where: short stacking energy: -148.992
Base-Backbone interact. energy: 0.048
local terms energy: -185.762269
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -39.062
flat angles C4'-P-C4' energy: -38.370
flat angles P-C4'-P energy: -29.160
tors. eta vs tors. theta energy: -38.899
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: 423
Temperature: 1.200000
Total energy: -344.617240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.617240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.617240 (E_RNA)
where:
Base-Base interactions energy: -195.849
where: short stacking energy: -86.642
Base-Backbone interact. energy: -0.980
local terms energy: -147.788181
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -40.079
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -206.450572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.450572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.450572 (E_RNA)
where:
Base-Base interactions energy: -73.501
where: short stacking energy: -52.770
Base-Backbone interact. energy: -0.769
local terms energy: -132.179995
where:
bonds (distance) C4'-P energy: -38.875
bonds (distance) P-C4' energy: -33.029
flat angles C4'-P-C4' energy: -26.989
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -183.113013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.113013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.113013 (E_RNA)
where:
Base-Base interactions energy: -77.986
where: short stacking energy: -35.285
Base-Backbone interact. energy: -2.315
local terms energy: -102.811751
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -34.953
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: 9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -167.316045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.316045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.316045 (E_RNA)
where:
Base-Base interactions energy: -58.589
where: short stacking energy: -48.057
Base-Backbone interact. energy: -1.008
local terms energy: -107.718573
where:
bonds (distance) C4'-P energy: -37.748
bonds (distance) P-C4' energy: -35.107
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: 9.656
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: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -694.852964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.852964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.852964 (E_RNA)
where:
Base-Base interactions energy: -473.634
where: short stacking energy: -206.044
Base-Backbone interact. energy: -0.161
local terms energy: -221.058512
where:
bonds (distance) C4'-P energy: -44.649
bonds (distance) P-C4' energy: -37.402
flat angles C4'-P-C4' energy: -48.389
flat angles P-C4'-P energy: -28.066
tors. eta vs tors. theta energy: -62.552
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: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -663.818357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.818357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.818357 (E_RNA)
where:
Base-Base interactions energy: -470.496
where: short stacking energy: -192.789
Base-Backbone interact. energy: -0.691
local terms energy: -192.630998
where:
bonds (distance) C4'-P energy: -34.394
bonds (distance) P-C4' energy: -43.456
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -22.164
tors. eta vs tors. theta energy: -56.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -650.769782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.769782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.769782 (E_RNA)
where:
Base-Base interactions energy: -453.851
where: short stacking energy: -177.662
Base-Backbone interact. energy: 2.747
local terms energy: -199.665318
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -39.959
flat angles C4'-P-C4' energy: -43.405
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -48.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -592.771512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.771512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.771512 (E_RNA)
where:
Base-Base interactions energy: -390.228
where: short stacking energy: -165.247
Base-Backbone interact. energy: -0.235
local terms energy: -202.309068
where:
bonds (distance) C4'-P energy: -42.302
bonds (distance) P-C4' energy: -40.054
flat angles C4'-P-C4' energy: -40.151
flat angles P-C4'-P energy: -27.604
tors. eta vs tors. theta energy: -52.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -535.924119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.924119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.924119 (E_RNA)
where:
Base-Base interactions energy: -362.849
where: short stacking energy: -156.536
Base-Backbone interact. energy: -1.236
local terms energy: -171.838402
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -37.997
flat angles C4'-P-C4' energy: -34.653
flat angles P-C4'-P energy: -28.022
tors. eta vs tors. theta energy: -38.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -528.098807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.098807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.098807 (E_RNA)
where:
Base-Base interactions energy: -351.397
where: short stacking energy: -154.578
Base-Backbone interact. energy: 0.074
local terms energy: -176.776157
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -36.212
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -29.550
tors. eta vs tors. theta energy: -51.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -377.762563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.762563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.762563 (E_RNA)
where:
Base-Base interactions energy: -217.166
where: short stacking energy: -111.503
Base-Backbone interact. energy: 1.226
local terms energy: -161.823151
where:
bonds (distance) C4'-P energy: -35.002
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -26.184
tors. eta vs tors. theta energy: -32.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -183.208783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.208783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.208783 (E_RNA)
where:
Base-Base interactions energy: -53.686
where: short stacking energy: -50.547
Base-Backbone interact. energy: -1.674
local terms energy: -127.849153
where:
bonds (distance) C4'-P energy: -37.805
bonds (distance) P-C4' energy: -33.664
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -176.099950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.099950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.099950 (E_RNA)
where:
Base-Base interactions energy: -57.797
where: short stacking energy: -51.256
Base-Backbone interact. energy: 1.223
local terms energy: -119.526493
where:
bonds (distance) C4'-P energy: -41.755
bonds (distance) P-C4' energy: -31.903
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -16.952
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: 424
Temperature: 1.350000
Total energy: -184.233317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.233317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.233317 (E_RNA)
where:
Base-Base interactions energy: -60.103
where: short stacking energy: -53.126
Base-Backbone interact. energy: -0.459
local terms energy: -123.671247
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -38.756
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -2.312
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: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -694.079273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.079273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.079273 (E_RNA)
where:
Base-Base interactions energy: -469.737
where: short stacking energy: -208.673
Base-Backbone interact. energy: -0.442
local terms energy: -223.900441
where:
bonds (distance) C4'-P energy: -37.682
bonds (distance) P-C4' energy: -43.204
flat angles C4'-P-C4' energy: -45.431
flat angles P-C4'-P energy: -34.532
tors. eta vs tors. theta energy: -63.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -665.899451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.899451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.899451 (E_RNA)
where:
Base-Base interactions energy: -461.463
where: short stacking energy: -199.066
Base-Backbone interact. energy: -0.826
local terms energy: -203.610544
where:
bonds (distance) C4'-P energy: -36.690
bonds (distance) P-C4' energy: -43.221
flat angles C4'-P-C4' energy: -41.995
flat angles P-C4'-P energy: -30.414
tors. eta vs tors. theta energy: -51.291
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: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -636.208585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.208585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.208585 (E_RNA)
where:
Base-Base interactions energy: -436.655
where: short stacking energy: -183.825
Base-Backbone interact. energy: -0.309
local terms energy: -199.245074
where:
bonds (distance) C4'-P energy: -36.866
bonds (distance) P-C4' energy: -38.425
flat angles C4'-P-C4' energy: -39.399
flat angles P-C4'-P energy: -28.370
tors. eta vs tors. theta energy: -56.185
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: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -542.875030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.875030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.875030 (E_RNA)
where:
Base-Base interactions energy: -352.184
where: short stacking energy: -150.402
Base-Backbone interact. energy: -1.182
local terms energy: -189.509360
where:
bonds (distance) C4'-P energy: -37.409
bonds (distance) P-C4' energy: -39.292
flat angles C4'-P-C4' energy: -43.365
flat angles P-C4'-P energy: -26.879
tors. eta vs tors. theta energy: -42.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -565.430031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.430031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.430031 (E_RNA)
where:
Base-Base interactions energy: -376.234
where: short stacking energy: -182.962
Base-Backbone interact. energy: 1.188
local terms energy: -190.383496
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -41.567
flat angles C4'-P-C4' energy: -39.738
flat angles P-C4'-P energy: -30.913
tors. eta vs tors. theta energy: -53.645
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: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -526.067005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.067005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.067005 (E_RNA)
where:
Base-Base interactions energy: -357.113
where: short stacking energy: -148.787
Base-Backbone interact. energy: -0.310
local terms energy: -168.644631
where:
bonds (distance) C4'-P energy: -34.952
bonds (distance) P-C4' energy: -37.694
flat angles C4'-P-C4' energy: -35.824
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -41.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -397.337017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.337017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.337017 (E_RNA)
where:
Base-Base interactions energy: -236.933
where: short stacking energy: -98.928
Base-Backbone interact. energy: -0.111
local terms energy: -160.293148
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -39.852
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -218.593539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.593539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.593539 (E_RNA)
where:
Base-Base interactions energy: -91.354
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.900
local terms energy: -126.339542
where:
bonds (distance) C4'-P energy: -35.606
bonds (distance) P-C4' energy: -36.548
flat angles C4'-P-C4' energy: -37.384
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -179.420189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.420189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.420189 (E_RNA)
where:
Base-Base interactions energy: -75.864
where: short stacking energy: -58.710
Base-Backbone interact. energy: 2.280
local terms energy: -105.836203
where:
bonds (distance) C4'-P energy: -33.654
bonds (distance) P-C4' energy: -40.200
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -174.146208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.146208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.146208 (E_RNA)
where:
Base-Base interactions energy: -59.412
where: short stacking energy: -50.476
Base-Backbone interact. energy: 0.261
local terms energy: -114.994924
where:
bonds (distance) C4'-P energy: -36.824
bonds (distance) P-C4' energy: -34.664
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -693.927607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.927607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.927607 (E_RNA)
where:
Base-Base interactions energy: -480.790
where: short stacking energy: -209.023
Base-Backbone interact. energy: -3.077
local terms energy: -210.060595
where:
bonds (distance) C4'-P energy: -43.180
bonds (distance) P-C4' energy: -35.761
flat angles C4'-P-C4' energy: -40.816
flat angles P-C4'-P energy: -27.035
tors. eta vs tors. theta energy: -63.269
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: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -666.267160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.267160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.267160 (E_RNA)
where:
Base-Base interactions energy: -461.207
where: short stacking energy: -179.579
Base-Backbone interact. energy: -1.605
local terms energy: -203.454630
where:
bonds (distance) C4'-P energy: -41.107
bonds (distance) P-C4' energy: -42.360
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -27.618
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: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -641.760767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.760767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.760767 (E_RNA)
where:
Base-Base interactions energy: -440.434
where: short stacking energy: -184.726
Base-Backbone interact. energy: 0.694
local terms energy: -202.021366
where:
bonds (distance) C4'-P energy: -43.359
bonds (distance) P-C4' energy: -39.597
flat angles C4'-P-C4' energy: -41.417
flat angles P-C4'-P energy: -25.558
tors. eta vs tors. theta energy: -52.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -546.151605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.151605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.151605 (E_RNA)
where:
Base-Base interactions energy: -363.102
where: short stacking energy: -159.938
Base-Backbone interact. energy: -2.055
local terms energy: -180.994067
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -41.097
flat angles C4'-P-C4' energy: -39.513
flat angles P-C4'-P energy: -27.053
tors. eta vs tors. theta energy: -39.860
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: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -557.080176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.080176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.080176 (E_RNA)
where:
Base-Base interactions energy: -376.100
where: short stacking energy: -168.593
Base-Backbone interact. energy: 2.718
local terms energy: -183.697806
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -44.210
flat angles C4'-P-C4' energy: -36.507
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -45.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -512.058406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.058406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.058406 (E_RNA)
where:
Base-Base interactions energy: -342.290
where: short stacking energy: -139.144
Base-Backbone interact. energy: 0.016
local terms energy: -169.784376
where:
bonds (distance) C4'-P energy: -35.837
bonds (distance) P-C4' energy: -41.168
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -35.014
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: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -399.027559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.027559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.027559 (E_RNA)
where:
Base-Base interactions energy: -243.269
where: short stacking energy: -111.675
Base-Backbone interact. energy: 0.486
local terms energy: -156.244775
where:
bonds (distance) C4'-P energy: -38.248
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -24.176
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -231.263056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.263056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.263056 (E_RNA)
where:
Base-Base interactions energy: -100.409
where: short stacking energy: -64.506
Base-Backbone interact. energy: 0.388
local terms energy: -131.242643
where:
bonds (distance) C4'-P energy: -40.974
bonds (distance) P-C4' energy: -34.889
flat angles C4'-P-C4' energy: -32.919
flat angles P-C4'-P energy: -19.487
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: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -184.009182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.009182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.009182 (E_RNA)
where:
Base-Base interactions energy: -63.811
where: short stacking energy: -61.395
Base-Backbone interact. energy: 0.162
local terms energy: -120.360689
where:
bonds (distance) C4'-P energy: -32.097
bonds (distance) P-C4' energy: -40.042
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -173.726231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.726231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.726231 (E_RNA)
where:
Base-Base interactions energy: -63.536
where: short stacking energy: -48.695
Base-Backbone interact. energy: -1.309
local terms energy: -108.881619
where:
bonds (distance) C4'-P energy: -35.893
bonds (distance) P-C4' energy: -30.487
flat angles C4'-P-C4' energy: -31.187
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: 0.441
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: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -708.619848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.619848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.619848 (E_RNA)
where:
Base-Base interactions energy: -474.695
where: short stacking energy: -207.895
Base-Backbone interact. energy: -0.024
local terms energy: -233.901345
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -46.521
flat angles C4'-P-C4' energy: -45.989
flat angles P-C4'-P energy: -38.165
tors. eta vs tors. theta energy: -65.403
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: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -660.315051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.315051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.315051 (E_RNA)
where:
Base-Base interactions energy: -465.781
where: short stacking energy: -187.171
Base-Backbone interact. energy: -0.403
local terms energy: -194.130692
where:
bonds (distance) C4'-P energy: -35.452
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: -58.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -632.812597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.812597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.812597 (E_RNA)
where:
Base-Base interactions energy: -443.114
where: short stacking energy: -182.821
Base-Backbone interact. energy: -1.165
local terms energy: -188.533411
where:
bonds (distance) C4'-P energy: -27.126
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -41.894
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -59.586
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: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -593.265269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.265269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.265269 (E_RNA)
where:
Base-Base interactions energy: -399.918
where: short stacking energy: -174.261
Base-Backbone interact. energy: -1.612
local terms energy: -191.735092
where:
bonds (distance) C4'-P energy: -34.774
bonds (distance) P-C4' energy: -36.235
flat angles C4'-P-C4' energy: -41.939
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -50.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -537.730198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.730198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.730198 (E_RNA)
where:
Base-Base interactions energy: -347.716
where: short stacking energy: -154.133
Base-Backbone interact. energy: 0.826
local terms energy: -190.839573
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -42.108
flat angles P-C4'-P energy: -27.842
tors. eta vs tors. theta energy: -43.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -519.822061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.822061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.822061 (E_RNA)
where:
Base-Base interactions energy: -347.362
where: short stacking energy: -148.840
Base-Backbone interact. energy: -1.607
local terms energy: -170.853888
where:
bonds (distance) C4'-P energy: -35.087
bonds (distance) P-C4' energy: -34.178
flat angles C4'-P-C4' energy: -41.791
flat angles P-C4'-P energy: -26.321
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: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -426.024833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.024833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.024833 (E_RNA)
where:
Base-Base interactions energy: -263.422
where: short stacking energy: -112.872
Base-Backbone interact. energy: 0.339
local terms energy: -162.941202
where:
bonds (distance) C4'-P energy: -37.828
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -41.216
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -23.605
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: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -210.713398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.713398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.713398 (E_RNA)
where:
Base-Base interactions energy: -83.848
where: short stacking energy: -71.593
Base-Backbone interact. energy: 1.185
local terms energy: -128.050568
where:
bonds (distance) C4'-P energy: -36.840
bonds (distance) P-C4' energy: -35.439
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -19.109
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -168.153552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.153552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.153552 (E_RNA)
where:
Base-Base interactions energy: -53.968
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.553
local terms energy: -113.632294
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -30.395
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: 0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -173.637306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.637306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.637306 (E_RNA)
where:
Base-Base interactions energy: -55.548
where: short stacking energy: -48.874
Base-Backbone interact. energy: -0.147
local terms energy: -117.942298
where:
bonds (distance) C4'-P energy: -33.559
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -712.536990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.536990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.536990 (E_RNA)
where:
Base-Base interactions energy: -483.767
where: short stacking energy: -212.629
Base-Backbone interact. energy: 0.289
local terms energy: -229.059544
where:
bonds (distance) C4'-P energy: -37.089
bonds (distance) P-C4' energy: -40.315
flat angles C4'-P-C4' energy: -48.021
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -69.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -676.669928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.669928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.669928 (E_RNA)
where:
Base-Base interactions energy: -465.440
where: short stacking energy: -185.886
Base-Backbone interact. energy: -1.698
local terms energy: -209.531965
where:
bonds (distance) C4'-P energy: -39.992
bonds (distance) P-C4' energy: -40.292
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -28.818
tors. eta vs tors. theta energy: -55.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -672.423464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.423464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.423464 (E_RNA)
where:
Base-Base interactions energy: -453.182
where: short stacking energy: -187.320
Base-Backbone interact. energy: -1.142
local terms energy: -218.099137
where:
bonds (distance) C4'-P energy: -37.324
bonds (distance) P-C4' energy: -45.822
flat angles C4'-P-C4' energy: -46.268
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: -60.910
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: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -575.817760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.817760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.817760 (E_RNA)
where:
Base-Base interactions energy: -375.065
where: short stacking energy: -182.914
Base-Backbone interact. energy: -0.121
local terms energy: -200.631599
where:
bonds (distance) C4'-P energy: -38.141
bonds (distance) P-C4' energy: -35.234
flat angles C4'-P-C4' energy: -45.957
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -55.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -546.304225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.304225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.304225 (E_RNA)
where:
Base-Base interactions energy: -365.859
where: short stacking energy: -164.822
Base-Backbone interact. energy: -0.014
local terms energy: -180.430518
where:
bonds (distance) C4'-P energy: -40.801
bonds (distance) P-C4' energy: -38.444
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -43.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -439.174837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.174837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.174837 (E_RNA)
where:
Base-Base interactions energy: -291.575
where: short stacking energy: -128.330
Base-Backbone interact. energy: -0.079
local terms energy: -147.520404
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -36.325
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: -30.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -483.524935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.524935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.524935 (E_RNA)
where:
Base-Base interactions energy: -298.137
where: short stacking energy: -134.096
Base-Backbone interact. energy: -0.875
local terms energy: -184.512670
where:
bonds (distance) C4'-P energy: -39.876
bonds (distance) P-C4' energy: -36.042
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -31.794
tors. eta vs tors. theta energy: -45.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -219.224374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.224374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.224374 (E_RNA)
where:
Base-Base interactions energy: -103.394
where: short stacking energy: -61.253
Base-Backbone interact. energy: -1.118
local terms energy: -114.712084
where:
bonds (distance) C4'-P energy: -28.703
bonds (distance) P-C4' energy: -33.602
flat angles C4'-P-C4' energy: -31.461
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -213.848135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.848135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.848135 (E_RNA)
where:
Base-Base interactions energy: -98.212
where: short stacking energy: -50.074
Base-Backbone interact. energy: 0.374
local terms energy: -116.010584
where:
bonds (distance) C4'-P energy: -35.848
bonds (distance) P-C4' energy: -42.247
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -172.008152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.008152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.008152 (E_RNA)
where:
Base-Base interactions energy: -71.892
where: short stacking energy: -58.183
Base-Backbone interact. energy: -1.432
local terms energy: -98.684513
where:
bonds (distance) C4'-P energy: -33.588
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -2.422
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: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -692.506823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.506823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.506823 (E_RNA)
where:
Base-Base interactions energy: -477.678
where: short stacking energy: -206.196
Base-Backbone interact. energy: 0.080
local terms energy: -214.908921
where:
bonds (distance) C4'-P energy: -36.792
bonds (distance) P-C4' energy: -38.467
flat angles C4'-P-C4' energy: -46.784
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -63.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -671.612440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.612440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.612440 (E_RNA)
where:
Base-Base interactions energy: -468.338
where: short stacking energy: -179.515
Base-Backbone interact. energy: 1.789
local terms energy: -205.063107
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -43.824
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -56.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -674.830964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.830964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.830964 (E_RNA)
where:
Base-Base interactions energy: -465.790
where: short stacking energy: -189.301
Base-Backbone interact. energy: -1.356
local terms energy: -207.684578
where:
bonds (distance) C4'-P energy: -42.267
bonds (distance) P-C4' energy: -36.440
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -24.608
tors. eta vs tors. theta energy: -58.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -577.936537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.936537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.936537 (E_RNA)
where:
Base-Base interactions energy: -386.785
where: short stacking energy: -174.689
Base-Backbone interact. energy: -0.349
local terms energy: -190.802676
where:
bonds (distance) C4'-P energy: -38.240
bonds (distance) P-C4' energy: -40.178
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -50.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -534.303721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.303721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.303721 (E_RNA)
where:
Base-Base interactions energy: -361.475
where: short stacking energy: -151.403
Base-Backbone interact. energy: 0.209
local terms energy: -173.038289
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -35.752
flat angles C4'-P-C4' energy: -36.819
flat angles P-C4'-P energy: -26.972
tors. eta vs tors. theta energy: -43.915
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: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -507.241246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.241246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.241246 (E_RNA)
where:
Base-Base interactions energy: -336.132
where: short stacking energy: -132.782
Base-Backbone interact. energy: -0.229
local terms energy: -170.879988
where:
bonds (distance) C4'-P energy: -40.395
bonds (distance) P-C4' energy: -35.140
flat angles C4'-P-C4' energy: -33.083
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -39.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -396.142980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.142980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.142980 (E_RNA)
where:
Base-Base interactions energy: -250.630
where: short stacking energy: -109.793
Base-Backbone interact. energy: -0.865
local terms energy: -144.647837
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -29.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -215.609493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.609493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.609493 (E_RNA)
where:
Base-Base interactions energy: -97.737
where: short stacking energy: -62.574
Base-Backbone interact. energy: 0.258
local terms energy: -118.131023
where:
bonds (distance) C4'-P energy: -38.662
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -37.079
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: 2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -179.043455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.043455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.043455 (E_RNA)
where:
Base-Base interactions energy: -66.911
where: short stacking energy: -62.919
Base-Backbone interact. energy: 2.301
local terms energy: -114.433713
where:
bonds (distance) C4'-P energy: -29.817
bonds (distance) P-C4' energy: -26.737
flat angles C4'-P-C4' energy: -26.906
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -165.389596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.389596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.389596 (E_RNA)
where:
Base-Base interactions energy: -52.800
where: short stacking energy: -47.127
Base-Backbone interact. energy: -0.646
local terms energy: -111.942956
where:
bonds (distance) C4'-P energy: -40.142
bonds (distance) P-C4' energy: -32.574
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: 4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -694.017489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.017489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.017489 (E_RNA)
where:
Base-Base interactions energy: -466.555
where: short stacking energy: -214.305
Base-Backbone interact. energy: -0.098
local terms energy: -227.364913
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -39.228
flat angles C4'-P-C4' energy: -45.264
flat angles P-C4'-P energy: -33.410
tors. eta vs tors. theta energy: -66.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -674.697604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.697604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.697604 (E_RNA)
where:
Base-Base interactions energy: -467.641
where: short stacking energy: -181.380
Base-Backbone interact. energy: -0.763
local terms energy: -206.294398
where:
bonds (distance) C4'-P energy: -36.213
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -45.677
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -55.813
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: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -664.890152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.890152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.890152 (E_RNA)
where:
Base-Base interactions energy: -464.183
where: short stacking energy: -182.152
Base-Backbone interact. energy: 0.302
local terms energy: -201.008560
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -41.300
flat angles P-C4'-P energy: -34.151
tors. eta vs tors. theta energy: -53.109
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: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -569.632017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.632017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.632017 (E_RNA)
where:
Base-Base interactions energy: -365.614
where: short stacking energy: -169.163
Base-Backbone interact. energy: -3.194
local terms energy: -200.824593
where:
bonds (distance) C4'-P energy: -41.546
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -41.233
flat angles P-C4'-P energy: -31.898
tors. eta vs tors. theta energy: -51.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -522.573043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.573043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.573043 (E_RNA)
where:
Base-Base interactions energy: -346.017
where: short stacking energy: -135.076
Base-Backbone interact. energy: -0.052
local terms energy: -176.504127
where:
bonds (distance) C4'-P energy: -37.021
bonds (distance) P-C4' energy: -32.472
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -35.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -482.532374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.532374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.532374 (E_RNA)
where:
Base-Base interactions energy: -313.396
where: short stacking energy: -143.375
Base-Backbone interact. energy: -0.252
local terms energy: -168.884273
where:
bonds (distance) C4'-P energy: -35.071
bonds (distance) P-C4' energy: -36.630
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -42.882
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: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -343.863920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.863920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.863920 (E_RNA)
where:
Base-Base interactions energy: -218.141
where: short stacking energy: -105.752
Base-Backbone interact. energy: -1.570
local terms energy: -124.153218
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -31.388
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -24.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -193.811944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.811944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.811944 (E_RNA)
where:
Base-Base interactions energy: -71.523
where: short stacking energy: -65.289
Base-Backbone interact. energy: 0.177
local terms energy: -122.465578
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -35.642
flat angles P-C4'-P energy: -26.170
tors. eta vs tors. theta energy: 3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -167.478893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.478893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.478893 (E_RNA)
where:
Base-Base interactions energy: -58.463
where: short stacking energy: -49.643
Base-Backbone interact. energy: 0.205
local terms energy: -109.220848
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: 0.639
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: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -174.276479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.276479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.276479 (E_RNA)
where:
Base-Base interactions energy: -57.301
where: short stacking energy: -39.224
Base-Backbone interact. energy: -0.859
local terms energy: -116.115898
where:
bonds (distance) C4'-P energy: -39.501
bonds (distance) P-C4' energy: -31.040
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: 10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -705.042357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.042357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.042357 (E_RNA)
where:
Base-Base interactions energy: -471.883
where: short stacking energy: -216.344
Base-Backbone interact. energy: -0.602
local terms energy: -232.557435
where:
bonds (distance) C4'-P energy: -45.097
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -45.172
flat angles P-C4'-P energy: -33.958
tors. eta vs tors. theta energy: -64.294
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: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -666.524270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.524270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.524270 (E_RNA)
where:
Base-Base interactions energy: -449.312
where: short stacking energy: -181.456
Base-Backbone interact. energy: -0.031
local terms energy: -217.180861
where:
bonds (distance) C4'-P energy: -43.983
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -43.132
flat angles P-C4'-P energy: -34.248
tors. eta vs tors. theta energy: -61.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -647.518576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.518576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.518576 (E_RNA)
where:
Base-Base interactions energy: -445.126
where: short stacking energy: -182.141
Base-Backbone interact. energy: -1.843
local terms energy: -200.549458
where:
bonds (distance) C4'-P energy: -32.773
bonds (distance) P-C4' energy: -40.744
flat angles C4'-P-C4' energy: -46.474
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -55.115
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: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -560.412473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.412473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.412473 (E_RNA)
where:
Base-Base interactions energy: -363.156
where: short stacking energy: -157.646
Base-Backbone interact. energy: -0.895
local terms energy: -196.360977
where:
bonds (distance) C4'-P energy: -37.072
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -45.950
flat angles P-C4'-P energy: -27.309
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: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -546.773384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.773384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.773384 (E_RNA)
where:
Base-Base interactions energy: -353.700
where: short stacking energy: -154.505
Base-Backbone interact. energy: -0.723
local terms energy: -192.350713
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -39.731
flat angles C4'-P-C4' energy: -38.829
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: -47.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -423.918611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.918611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.918611 (E_RNA)
where:
Base-Base interactions energy: -262.730
where: short stacking energy: -129.328
Base-Backbone interact. energy: -1.162
local terms energy: -160.025955
where:
bonds (distance) C4'-P energy: -37.953
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -37.126
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -29.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -310.985411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.985411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.985411 (E_RNA)
where:
Base-Base interactions energy: -167.517
where: short stacking energy: -85.384
Base-Backbone interact. energy: -0.548
local terms energy: -142.920241
where:
bonds (distance) C4'-P energy: -36.993
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -33.319
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -19.163
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: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -199.444226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.444226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.444226 (E_RNA)
where:
Base-Base interactions energy: -67.472
where: short stacking energy: -67.472
Base-Backbone interact. energy: -0.311
local terms energy: -131.660656
where:
bonds (distance) C4'-P energy: -35.679
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -33.263
flat angles P-C4'-P energy: -16.935
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: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -241.157186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.157186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.157186 (E_RNA)
where:
Base-Base interactions energy: -124.223
where: short stacking energy: -58.465
Base-Backbone interact. energy: 0.230
local terms energy: -117.163936
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -42.331
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -17.566
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: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -177.173085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.173085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.173085 (E_RNA)
where:
Base-Base interactions energy: -67.940
where: short stacking energy: -50.573
Base-Backbone interact. energy: 0.459
local terms energy: -109.692193
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -40.254
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -19.973
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: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -692.539110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.539110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.539110 (E_RNA)
where:
Base-Base interactions energy: -468.718
where: short stacking energy: -200.134
Base-Backbone interact. energy: 2.622
local terms energy: -226.443545
where:
bonds (distance) C4'-P energy: -39.345
bonds (distance) P-C4' energy: -40.585
flat angles C4'-P-C4' energy: -49.987
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -63.934
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: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -670.097111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.097111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.097111 (E_RNA)
where:
Base-Base interactions energy: -462.379
where: short stacking energy: -194.502
Base-Backbone interact. energy: -0.491
local terms energy: -207.227606
where:
bonds (distance) C4'-P energy: -36.891
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -43.719
flat angles P-C4'-P energy: -28.875
tors. eta vs tors. theta energy: -57.259
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: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -655.351334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.351334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.351334 (E_RNA)
where:
Base-Base interactions energy: -454.555
where: short stacking energy: -180.882
Base-Backbone interact. energy: -1.051
local terms energy: -199.745911
where:
bonds (distance) C4'-P energy: -32.458
bonds (distance) P-C4' energy: -42.311
flat angles C4'-P-C4' energy: -36.273
flat angles P-C4'-P energy: -27.326
tors. eta vs tors. theta energy: -61.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -572.328193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.328193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.328193 (E_RNA)
where:
Base-Base interactions energy: -375.376
where: short stacking energy: -173.099
Base-Backbone interact. energy: -0.672
local terms energy: -196.280547
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -44.849
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -58.597
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: 432
Temperature: 1.100000
Total energy: -539.249668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.249668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.249668 (E_RNA)
where:
Base-Base interactions energy: -364.349
where: short stacking energy: -161.010
Base-Backbone interact. energy: -1.439
local terms energy: -173.461933
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -40.803
flat angles P-C4'-P energy: -22.357
tors. eta vs tors. theta energy: -44.912
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: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -497.694893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.694893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.694893 (E_RNA)
where:
Base-Base interactions energy: -333.172
where: short stacking energy: -133.274
Base-Backbone interact. energy: -0.455
local terms energy: -164.068479
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -38.198
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -34.299
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: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -208.411569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.411569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.411569 (E_RNA)
where:
Base-Base interactions energy: -72.533
where: short stacking energy: -59.168
Base-Backbone interact. energy: -1.514
local terms energy: -134.364865
where:
bonds (distance) C4'-P energy: -35.328
bonds (distance) P-C4' energy: -37.310
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -2.663
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: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -197.719468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.719468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.719468 (E_RNA)
where:
Base-Base interactions energy: -82.175
where: short stacking energy: -53.692
Base-Backbone interact. energy: -0.707
local terms energy: -114.837265
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -212.233111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.233111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.233111 (E_RNA)
where:
Base-Base interactions energy: -89.038
where: short stacking energy: -49.922
Base-Backbone interact. energy: -0.571
local terms energy: -122.623684
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -38.783
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -22.894
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -169.908809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.908809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.908809 (E_RNA)
where:
Base-Base interactions energy: -59.694
where: short stacking energy: -44.938
Base-Backbone interact. energy: -1.041
local terms energy: -109.173917
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: 7.422
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: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -686.924285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.924285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.924285 (E_RNA)
where:
Base-Base interactions energy: -475.218
where: short stacking energy: -199.272
Base-Backbone interact. energy: -0.489
local terms energy: -211.216993
where:
bonds (distance) C4'-P energy: -37.078
bonds (distance) P-C4' energy: -43.003
flat angles C4'-P-C4' energy: -41.173
flat angles P-C4'-P energy: -25.736
tors. eta vs tors. theta energy: -64.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -669.260219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.260219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.260219 (E_RNA)
where:
Base-Base interactions energy: -460.380
where: short stacking energy: -200.548
Base-Backbone interact. energy: -0.566
local terms energy: -208.314721
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -36.928
flat angles C4'-P-C4' energy: -46.161
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -63.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -648.526728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.526728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.526728 (E_RNA)
where:
Base-Base interactions energy: -449.951
where: short stacking energy: -183.868
Base-Backbone interact. energy: 0.330
local terms energy: -198.906117
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -39.647
flat angles C4'-P-C4' energy: -40.319
flat angles P-C4'-P energy: -29.837
tors. eta vs tors. theta energy: -52.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -556.872540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.872540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.872540 (E_RNA)
where:
Base-Base interactions energy: -386.256
where: short stacking energy: -150.570
Base-Backbone interact. energy: -2.005
local terms energy: -168.611937
where:
bonds (distance) C4'-P energy: -42.884
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -38.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -563.899090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.899090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.899090 (E_RNA)
where:
Base-Base interactions energy: -374.688
where: short stacking energy: -167.123
Base-Backbone interact. energy: -0.067
local terms energy: -189.143457
where:
bonds (distance) C4'-P energy: -37.836
bonds (distance) P-C4' energy: -33.643
flat angles C4'-P-C4' energy: -37.133
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: -52.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -490.138092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.138092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.138092 (E_RNA)
where:
Base-Base interactions energy: -306.356
where: short stacking energy: -127.065
Base-Backbone interact. energy: -0.365
local terms energy: -183.417306
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -39.597
flat angles C4'-P-C4' energy: -39.996
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -45.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -233.469738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.469738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.469738 (E_RNA)
where:
Base-Base interactions energy: -95.250
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.471
local terms energy: -137.748766
where:
bonds (distance) C4'-P energy: -38.113
bonds (distance) P-C4' energy: -40.355
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -5.548
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: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -265.312866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.312866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.312866 (E_RNA)
where:
Base-Base interactions energy: -135.604
where: short stacking energy: -73.603
Base-Backbone interact. energy: -0.273
local terms energy: -129.435304
where:
bonds (distance) C4'-P energy: -34.662
bonds (distance) P-C4' energy: -36.054
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -195.210270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.210270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.210270 (E_RNA)
where:
Base-Base interactions energy: -73.847
where: short stacking energy: -56.348
Base-Backbone interact. energy: -0.814
local terms energy: -120.548907
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -37.404
flat angles C4'-P-C4' energy: -31.328
flat angles P-C4'-P energy: -28.850
tors. eta vs tors. theta energy: 1.462
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: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -169.475749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.475749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.475749 (E_RNA)
where:
Base-Base interactions energy: -66.472
where: short stacking energy: -42.188
Base-Backbone interact. energy: -0.358
local terms energy: -102.645923
where:
bonds (distance) C4'-P energy: -41.206
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: 1.302
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: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -700.234530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.234530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.234530 (E_RNA)
where:
Base-Base interactions energy: -486.570
where: short stacking energy: -201.631
Base-Backbone interact. energy: -1.175
local terms energy: -212.489904
where:
bonds (distance) C4'-P energy: -42.002
bonds (distance) P-C4' energy: -40.698
flat angles C4'-P-C4' energy: -41.694
flat angles P-C4'-P energy: -30.113
tors. eta vs tors. theta energy: -57.983
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: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -670.682664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.682664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.682664 (E_RNA)
where:
Base-Base interactions energy: -458.504
where: short stacking energy: -194.996
Base-Backbone interact. energy: -0.035
local terms energy: -212.144446
where:
bonds (distance) C4'-P energy: -33.576
bonds (distance) P-C4' energy: -44.847
flat angles C4'-P-C4' energy: -46.771
flat angles P-C4'-P energy: -25.782
tors. eta vs tors. theta energy: -61.169
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: 434
Temperature: 1.000000
Total energy: -651.709932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.709932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.709932 (E_RNA)
where:
Base-Base interactions energy: -442.050
where: short stacking energy: -183.445
Base-Backbone interact. energy: -0.680
local terms energy: -208.980193
where:
bonds (distance) C4'-P energy: -36.054
bonds (distance) P-C4' energy: -41.381
flat angles C4'-P-C4' energy: -42.799
flat angles P-C4'-P energy: -31.952
tors. eta vs tors. theta energy: -56.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -572.913901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.913901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.913901 (E_RNA)
where:
Base-Base interactions energy: -383.631
where: short stacking energy: -165.388
Base-Backbone interact. energy: 0.789
local terms energy: -190.072174
where:
bonds (distance) C4'-P energy: -40.780
bonds (distance) P-C4' energy: -41.241
flat angles C4'-P-C4' energy: -36.024
flat angles P-C4'-P energy: -22.720
tors. eta vs tors. theta energy: -49.308
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: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -561.792032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.792032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.792032 (E_RNA)
where:
Base-Base interactions energy: -382.883
where: short stacking energy: -157.944
Base-Backbone interact. energy: -0.978
local terms energy: -177.931416
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -38.276
flat angles P-C4'-P energy: -30.265
tors. eta vs tors. theta energy: -52.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -471.700815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.700815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.700815 (E_RNA)
where:
Base-Base interactions energy: -299.102
where: short stacking energy: -131.709
Base-Backbone interact. energy: 3.865
local terms energy: -176.463871
where:
bonds (distance) C4'-P energy: -40.136
bonds (distance) P-C4' energy: -38.783
flat angles C4'-P-C4' energy: -38.603
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -34.699
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: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -309.368701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.368701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.368701 (E_RNA)
where:
Base-Base interactions energy: -171.369
where: short stacking energy: -83.925
Base-Backbone interact. energy: -0.420
local terms energy: -137.579486
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -39.089
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -207.922930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.922930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.922930 (E_RNA)
where:
Base-Base interactions energy: -85.448
where: short stacking energy: -51.508
Base-Backbone interact. energy: 0.206
local terms energy: -122.681726
where:
bonds (distance) C4'-P energy: -35.497
bonds (distance) P-C4' energy: -38.709
flat angles C4'-P-C4' energy: -31.898
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -187.731026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.731026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.731026 (E_RNA)
where:
Base-Base interactions energy: -67.778
where: short stacking energy: -65.183
Base-Backbone interact. energy: 3.817
local terms energy: -123.769529
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -35.340
flat angles C4'-P-C4' energy: -30.526
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -5.384
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: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -164.019628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.019628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.019628 (E_RNA)
where:
Base-Base interactions energy: -57.075
where: short stacking energy: -55.298
Base-Backbone interact. energy: -1.688
local terms energy: -105.255915
where:
bonds (distance) C4'-P energy: -33.370
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -14.157
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: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -673.589126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.589126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.589126 (E_RNA)
where:
Base-Base interactions energy: -465.937
where: short stacking energy: -194.081
Base-Backbone interact. energy: -0.560
local terms energy: -207.092039
where:
bonds (distance) C4'-P energy: -36.514
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -43.794
flat angles P-C4'-P energy: -27.737
tors. eta vs tors. theta energy: -60.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -666.742379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.742379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.742379 (E_RNA)
where:
Base-Base interactions energy: -451.273
where: short stacking energy: -190.852
Base-Backbone interact. energy: -1.287
local terms energy: -214.182136
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -42.827
flat angles C4'-P-C4' energy: -46.236
flat angles P-C4'-P energy: -28.209
tors. eta vs tors. theta energy: -63.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -663.165019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.165019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.165019 (E_RNA)
where:
Base-Base interactions energy: -444.053
where: short stacking energy: -193.164
Base-Backbone interact. energy: -0.181
local terms energy: -218.931456
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -40.161
flat angles C4'-P-C4' energy: -44.023
flat angles P-C4'-P energy: -32.922
tors. eta vs tors. theta energy: -59.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -556.244548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.244548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.244548 (E_RNA)
where:
Base-Base interactions energy: -374.177
where: short stacking energy: -162.312
Base-Backbone interact. energy: -1.619
local terms energy: -180.447998
where:
bonds (distance) C4'-P energy: -31.712
bonds (distance) P-C4' energy: -42.434
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -48.969
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: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -555.266771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.266771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.266771 (E_RNA)
where:
Base-Base interactions energy: -364.347
where: short stacking energy: -148.546
Base-Backbone interact. energy: -0.393
local terms energy: -190.526416
where:
bonds (distance) C4'-P energy: -38.899
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -41.978
flat angles P-C4'-P energy: -28.603
tors. eta vs tors. theta energy: -46.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -477.524080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.524080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.524080 (E_RNA)
where:
Base-Base interactions energy: -304.756
where: short stacking energy: -128.686
Base-Backbone interact. energy: -0.322
local terms energy: -172.445610
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -39.740
flat angles C4'-P-C4' energy: -38.678
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -36.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -350.290309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.290309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.290309 (E_RNA)
where:
Base-Base interactions energy: -188.805
where: short stacking energy: -103.744
Base-Backbone interact. energy: 1.424
local terms energy: -162.910219
where:
bonds (distance) C4'-P energy: -37.185
bonds (distance) P-C4' energy: -40.481
flat angles C4'-P-C4' energy: -40.403
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -23.603
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: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -196.326639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.326639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.326639 (E_RNA)
where:
Base-Base interactions energy: -77.396
where: short stacking energy: -70.911
Base-Backbone interact. energy: -0.284
local terms energy: -118.645783
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -30.751
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -5.158
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: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -175.850847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.850847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.850847 (E_RNA)
where:
Base-Base interactions energy: -74.086
where: short stacking energy: -40.494
Base-Backbone interact. energy: -1.496
local terms energy: -100.268575
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -38.249
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -17.381
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: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -200.392339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.392339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.392339 (E_RNA)
where:
Base-Base interactions energy: -73.118
where: short stacking energy: -46.064
Base-Backbone interact. energy: 1.357
local terms energy: -128.631274
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -38.836
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -3.519
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: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -674.372734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.372734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.372734 (E_RNA)
where:
Base-Base interactions energy: -466.927
where: short stacking energy: -170.400
Base-Backbone interact. energy: -1.178
local terms energy: -206.267848
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -49.240
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -54.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -669.897081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.897081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.897081 (E_RNA)
where:
Base-Base interactions energy: -452.158
where: short stacking energy: -188.772
Base-Backbone interact. energy: -0.489
local terms energy: -217.249839
where:
bonds (distance) C4'-P energy: -40.969
bonds (distance) P-C4' energy: -42.906
flat angles C4'-P-C4' energy: -43.660
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -61.195
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: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -680.372132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.372132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.372132 (E_RNA)
where:
Base-Base interactions energy: -478.318
where: short stacking energy: -210.197
Base-Backbone interact. energy: -0.023
local terms energy: -202.032065
where:
bonds (distance) C4'-P energy: -34.942
bonds (distance) P-C4' energy: -37.573
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -60.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -567.959557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.959557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.959557 (E_RNA)
where:
Base-Base interactions energy: -381.391
where: short stacking energy: -171.973
Base-Backbone interact. energy: 0.784
local terms energy: -187.352188
where:
bonds (distance) C4'-P energy: -33.902
bonds (distance) P-C4' energy: -43.732
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -45.513
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: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -583.770447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.770447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.770447 (E_RNA)
where:
Base-Base interactions energy: -379.605
where: short stacking energy: -167.839
Base-Backbone interact. energy: -0.212
local terms energy: -203.953326
where:
bonds (distance) C4'-P energy: -39.721
bonds (distance) P-C4' energy: -41.554
flat angles C4'-P-C4' energy: -44.496
flat angles P-C4'-P energy: -32.715
tors. eta vs tors. theta energy: -45.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -487.299950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.299950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.299950 (E_RNA)
where:
Base-Base interactions energy: -315.263
where: short stacking energy: -142.569
Base-Backbone interact. energy: -0.316
local terms energy: -171.721380
where:
bonds (distance) C4'-P energy: -37.609
bonds (distance) P-C4' energy: -42.030
flat angles C4'-P-C4' energy: -39.940
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -30.149
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: 436
Temperature: 1.200000
Total energy: -308.483389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.483389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.483389 (E_RNA)
where:
Base-Base interactions energy: -159.813
where: short stacking energy: -86.828
Base-Backbone interact. energy: -0.281
local terms energy: -148.388662
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -42.589
flat angles C4'-P-C4' energy: -38.782
flat angles P-C4'-P energy: -23.442
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -201.440440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.440440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.440440 (E_RNA)
where:
Base-Base interactions energy: -62.756
where: short stacking energy: -46.812
Base-Backbone interact. energy: -0.425
local terms energy: -138.260363
where:
bonds (distance) C4'-P energy: -36.165
bonds (distance) P-C4' energy: -45.063
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -193.818273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.818273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.818273 (E_RNA)
where:
Base-Base interactions energy: -71.749
where: short stacking energy: -68.068
Base-Backbone interact. energy: -0.357
local terms energy: -121.711856
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -38.887
flat angles C4'-P-C4' energy: -36.572
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -10.612
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: 10, replica: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -163.064287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.064287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.064287 (E_RNA)
where:
Base-Base interactions energy: -55.898
where: short stacking energy: -40.902
Base-Backbone interact. energy: 0.317
local terms energy: -107.483094
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -33.148
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: 6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -668.425167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.425167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.425167 (E_RNA)
where:
Base-Base interactions energy: -452.864
where: short stacking energy: -170.351
Base-Backbone interact. energy: -1.092
local terms energy: -214.469244
where:
bonds (distance) C4'-P energy: -44.360
bonds (distance) P-C4' energy: -46.659
flat angles C4'-P-C4' energy: -41.323
flat angles P-C4'-P energy: -28.704
tors. eta vs tors. theta energy: -53.423
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: 437
Temperature: 0.950000
Total energy: -675.464516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.464516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.464516 (E_RNA)
where:
Base-Base interactions energy: -456.458
where: short stacking energy: -199.856
Base-Backbone interact. energy: -0.682
local terms energy: -218.324301
where:
bonds (distance) C4'-P energy: -41.632
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -41.268
flat angles P-C4'-P energy: -28.257
tors. eta vs tors. theta energy: -66.560
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: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -653.664524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.664524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.664524 (E_RNA)
where:
Base-Base interactions energy: -458.467
where: short stacking energy: -191.180
Base-Backbone interact. energy: 0.757
local terms energy: -195.954716
where:
bonds (distance) C4'-P energy: -37.076
bonds (distance) P-C4' energy: -35.063
flat angles C4'-P-C4' energy: -43.575
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -55.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -580.523429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.523429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.523429 (E_RNA)
where:
Base-Base interactions energy: -386.726
where: short stacking energy: -168.366
Base-Backbone interact. energy: -1.100
local terms energy: -192.697403
where:
bonds (distance) C4'-P energy: -35.999
bonds (distance) P-C4' energy: -34.167
flat angles C4'-P-C4' energy: -40.160
flat angles P-C4'-P energy: -34.739
tors. eta vs tors. theta energy: -47.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -556.763999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.763999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.763999 (E_RNA)
where:
Base-Base interactions energy: -378.042
where: short stacking energy: -164.549
Base-Backbone interact. energy: -0.469
local terms energy: -178.252930
where:
bonds (distance) C4'-P energy: -37.941
bonds (distance) P-C4' energy: -30.413
flat angles C4'-P-C4' energy: -39.617
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: -47.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -466.260839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.260839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.260839 (E_RNA)
where:
Base-Base interactions energy: -309.916
where: short stacking energy: -133.055
Base-Backbone interact. energy: 1.281
local terms energy: -157.625985
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -32.314
flat angles C4'-P-C4' energy: -37.530
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -35.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -312.446659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.446659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.446659 (E_RNA)
where:
Base-Base interactions energy: -178.340
where: short stacking energy: -91.368
Base-Backbone interact. energy: 0.121
local terms energy: -134.227742
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -35.838
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -15.738
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: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -192.892115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.892115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.892115 (E_RNA)
where:
Base-Base interactions energy: -73.689
where: short stacking energy: -57.039
Base-Backbone interact. energy: -1.114
local terms energy: -118.088677
where:
bonds (distance) C4'-P energy: -32.885
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -37.428
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: 2.282
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: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -213.629898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.629898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.629898 (E_RNA)
where:
Base-Base interactions energy: -95.875
where: short stacking energy: -65.445
Base-Backbone interact. energy: -0.309
local terms energy: -117.445950
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -28.947
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -174.360629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.360629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.360629 (E_RNA)
where:
Base-Base interactions energy: -43.320
where: short stacking energy: -40.329
Base-Backbone interact. energy: -0.677
local terms energy: -130.363359
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -35.136
flat angles C4'-P-C4' energy: -34.424
flat angles P-C4'-P energy: -28.530
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: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -688.282158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.282158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.282158 (E_RNA)
where:
Base-Base interactions energy: -463.657
where: short stacking energy: -202.397
Base-Backbone interact. energy: -0.048
local terms energy: -224.577719
where:
bonds (distance) C4'-P energy: -38.477
bonds (distance) P-C4' energy: -40.089
flat angles C4'-P-C4' energy: -46.380
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -65.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -665.761416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.761416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.761416 (E_RNA)
where:
Base-Base interactions energy: -459.090
where: short stacking energy: -180.270
Base-Backbone interact. energy: -0.518
local terms energy: -206.153400
where:
bonds (distance) C4'-P energy: -39.739
bonds (distance) P-C4' energy: -44.024
flat angles C4'-P-C4' energy: -43.236
flat angles P-C4'-P energy: -26.234
tors. eta vs tors. theta energy: -52.920
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: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -645.452788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.452788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.452788 (E_RNA)
where:
Base-Base interactions energy: -443.077
where: short stacking energy: -191.286
Base-Backbone interact. energy: 0.064
local terms energy: -202.440051
where:
bonds (distance) C4'-P energy: -40.977
bonds (distance) P-C4' energy: -37.713
flat angles C4'-P-C4' energy: -40.759
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -58.100
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: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -570.560451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.560451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.560451 (E_RNA)
where:
Base-Base interactions energy: -388.987
where: short stacking energy: -153.497
Base-Backbone interact. energy: -1.755
local terms energy: -179.818360
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -39.271
flat angles C4'-P-C4' energy: -36.811
flat angles P-C4'-P energy: -23.275
tors. eta vs tors. theta energy: -45.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -499.771986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.771986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.771986 (E_RNA)
where:
Base-Base interactions energy: -324.068
where: short stacking energy: -132.273
Base-Backbone interact. energy: 0.169
local terms energy: -175.872760
where:
bonds (distance) C4'-P energy: -37.910
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -44.211
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -35.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -539.200841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.200841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.200841 (E_RNA)
where:
Base-Base interactions energy: -355.892
where: short stacking energy: -161.001
Base-Backbone interact. energy: -0.568
local terms energy: -182.740731
where:
bonds (distance) C4'-P energy: -31.047
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -55.527
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: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -237.584337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.584337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.584337 (E_RNA)
where:
Base-Base interactions energy: -110.174
where: short stacking energy: -82.768
Base-Backbone interact. energy: -1.210
local terms energy: -126.200489
where:
bonds (distance) C4'-P energy: -34.836
bonds (distance) P-C4' energy: -32.805
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -15.548
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: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -304.097047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.097047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.097047 (E_RNA)
where:
Base-Base interactions energy: -163.067
where: short stacking energy: -86.281
Base-Backbone interact. energy: -0.579
local terms energy: -140.450994
where:
bonds (distance) C4'-P energy: -37.458
bonds (distance) P-C4' energy: -34.142
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -179.041222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.041222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.041222 (E_RNA)
where:
Base-Base interactions energy: -55.375
where: short stacking energy: -47.583
Base-Backbone interact. energy: -0.479
local terms energy: -123.187387
where:
bonds (distance) C4'-P energy: -35.471
bonds (distance) P-C4' energy: -34.371
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -21.212
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -188.414557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.414557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.414557 (E_RNA)
where:
Base-Base interactions energy: -70.253
where: short stacking energy: -58.530
Base-Backbone interact. energy: -1.286
local terms energy: -116.876107
where:
bonds (distance) C4'-P energy: -32.901
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -31.373
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -1.103
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: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -699.951004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.951004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.951004 (E_RNA)
where:
Base-Base interactions energy: -478.230
where: short stacking energy: -201.869
Base-Backbone interact. energy: -0.389
local terms energy: -221.332038
where:
bonds (distance) C4'-P energy: -36.756
bonds (distance) P-C4' energy: -44.973
flat angles C4'-P-C4' energy: -47.340
flat angles P-C4'-P energy: -30.138
tors. eta vs tors. theta energy: -62.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -656.015349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.015349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.015349 (E_RNA)
where:
Base-Base interactions energy: -438.458
where: short stacking energy: -191.044
Base-Backbone interact. energy: -0.932
local terms energy: -216.625491
where:
bonds (distance) C4'-P energy: -37.124
bonds (distance) P-C4' energy: -43.013
flat angles C4'-P-C4' energy: -47.799
flat angles P-C4'-P energy: -30.335
tors. eta vs tors. theta energy: -58.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -648.267459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.267459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.267459 (E_RNA)
where:
Base-Base interactions energy: -446.271
where: short stacking energy: -174.009
Base-Backbone interact. energy: -0.159
local terms energy: -201.837055
where:
bonds (distance) C4'-P energy: -38.765
bonds (distance) P-C4' energy: -40.375
flat angles C4'-P-C4' energy: -43.174
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -50.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -557.730783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.730783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.730783 (E_RNA)
where:
Base-Base interactions energy: -370.103
where: short stacking energy: -154.576
Base-Backbone interact. energy: -0.083
local terms energy: -187.544333
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -41.784
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -27.980
tors. eta vs tors. theta energy: -44.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -494.677806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.677806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.677806 (E_RNA)
where:
Base-Base interactions energy: -330.300
where: short stacking energy: -132.795
Base-Backbone interact. energy: 1.214
local terms energy: -165.591876
where:
bonds (distance) C4'-P energy: -30.166
bonds (distance) P-C4' energy: -33.725
flat angles C4'-P-C4' energy: -38.660
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -38.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -528.727492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.727492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.727492 (E_RNA)
where:
Base-Base interactions energy: -348.067
where: short stacking energy: -160.332
Base-Backbone interact. energy: 0.549
local terms energy: -181.210263
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: -42.871
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: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -221.432075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.432075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.432075 (E_RNA)
where:
Base-Base interactions energy: -84.321
where: short stacking energy: -60.644
Base-Backbone interact. energy: -0.745
local terms energy: -136.365238
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -33.800
flat angles P-C4'-P energy: -20.614
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: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -284.240053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.240053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.240053 (E_RNA)
where:
Base-Base interactions energy: -159.252
where: short stacking energy: -63.540
Base-Backbone interact. energy: 1.900
local terms energy: -126.888191
where:
bonds (distance) C4'-P energy: -34.990
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -192.765180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.765180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.765180 (E_RNA)
where:
Base-Base interactions energy: -62.484
where: short stacking energy: -54.942
Base-Backbone interact. energy: 2.002
local terms energy: -132.283337
where:
bonds (distance) C4'-P energy: -27.592
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -36.987
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -167.459330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.459330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.459330 (E_RNA)
where:
Base-Base interactions energy: -43.704
where: short stacking energy: -39.673
Base-Backbone interact. energy: -0.370
local terms energy: -123.385591
where:
bonds (distance) C4'-P energy: -33.937
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -34.277
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -681.654765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.654765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.654765 (E_RNA)
where:
Base-Base interactions energy: -457.131
where: short stacking energy: -200.253
Base-Backbone interact. energy: -1.716
local terms energy: -222.807695
where:
bonds (distance) C4'-P energy: -36.744
bonds (distance) P-C4' energy: -45.931
flat angles C4'-P-C4' energy: -42.631
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -61.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -645.529271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.529271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.529271 (E_RNA)
where:
Base-Base interactions energy: -435.891
where: short stacking energy: -179.668
Base-Backbone interact. energy: -0.844
local terms energy: -208.793863
where:
bonds (distance) C4'-P energy: -39.512
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -24.161
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: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -654.732355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.732355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.732355 (E_RNA)
where:
Base-Base interactions energy: -459.079
where: short stacking energy: -177.417
Base-Backbone interact. energy: -0.030
local terms energy: -195.622899
where:
bonds (distance) C4'-P energy: -41.249
bonds (distance) P-C4' energy: -36.166
flat angles C4'-P-C4' energy: -38.095
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -54.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -553.466734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.466734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.466734 (E_RNA)
where:
Base-Base interactions energy: -370.836
where: short stacking energy: -156.304
Base-Backbone interact. energy: -1.594
local terms energy: -181.036584
where:
bonds (distance) C4'-P energy: -39.637
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -39.260
flat angles P-C4'-P energy: -29.261
tors. eta vs tors. theta energy: -41.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -549.723077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.723077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.723077 (E_RNA)
where:
Base-Base interactions energy: -361.346
where: short stacking energy: -153.742
Base-Backbone interact. energy: 0.277
local terms energy: -188.654181
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -33.574
flat angles C4'-P-C4' energy: -40.933
flat angles P-C4'-P energy: -27.983
tors. eta vs tors. theta energy: -46.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -473.296203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.296203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.296203 (E_RNA)
where:
Base-Base interactions energy: -314.474
where: short stacking energy: -136.336
Base-Backbone interact. energy: -0.254
local terms energy: -158.568106
where:
bonds (distance) C4'-P energy: -31.852
bonds (distance) P-C4' energy: -36.139
flat angles C4'-P-C4' energy: -36.429
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -34.081
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: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -277.731589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.731589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.731589 (E_RNA)
where:
Base-Base interactions energy: -142.388
where: short stacking energy: -90.180
Base-Backbone interact. energy: 0.210
local terms energy: -135.553391
where:
bonds (distance) C4'-P energy: -31.791
bonds (distance) P-C4' energy: -40.664
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -209.126519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.126519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.126519 (E_RNA)
where:
Base-Base interactions energy: -97.309
where: short stacking energy: -72.814
Base-Backbone interact. energy: 3.252
local terms energy: -115.069545
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -3.510
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: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -171.383087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.383087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.383087 (E_RNA)
where:
Base-Base interactions energy: -40.373
where: short stacking energy: -26.560
Base-Backbone interact. energy: -0.684
local terms energy: -130.326028
where:
bonds (distance) C4'-P energy: -41.470
bonds (distance) P-C4' energy: -42.982
flat angles C4'-P-C4' energy: -37.577
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: 7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -185.317622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.317622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.317622 (E_RNA)
where:
Base-Base interactions energy: -59.820
where: short stacking energy: -57.768
Base-Backbone interact. energy: 0.105
local terms energy: -125.602417
where:
bonds (distance) C4'-P energy: -33.877
bonds (distance) P-C4' energy: -32.341
flat angles C4'-P-C4' energy: -33.212
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -8.932
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: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -694.373075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.373075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.373075 (E_RNA)
where:
Base-Base interactions energy: -466.447
where: short stacking energy: -207.956
Base-Backbone interact. energy: -0.006
local terms energy: -227.920226
where:
bonds (distance) C4'-P energy: -42.799
bonds (distance) P-C4' energy: -42.958
flat angles C4'-P-C4' energy: -43.056
flat angles P-C4'-P energy: -34.177
tors. eta vs tors. theta energy: -64.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -664.409946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.409946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.409946 (E_RNA)
where:
Base-Base interactions energy: -465.265
where: short stacking energy: -174.589
Base-Backbone interact. energy: -1.436
local terms energy: -197.709108
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -40.795
flat angles P-C4'-P energy: -32.924
tors. eta vs tors. theta energy: -51.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -632.681788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.681788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.681788 (E_RNA)
where:
Base-Base interactions energy: -430.997
where: short stacking energy: -188.929
Base-Backbone interact. energy: -0.276
local terms energy: -201.408250
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -43.157
flat angles C4'-P-C4' energy: -43.126
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: -53.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -592.224378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.224378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.224378 (E_RNA)
where:
Base-Base interactions energy: -403.363
where: short stacking energy: -168.297
Base-Backbone interact. energy: -0.992
local terms energy: -187.869328
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -35.444
flat angles C4'-P-C4' energy: -39.594
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -54.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -523.294872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.294872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.294872 (E_RNA)
where:
Base-Base interactions energy: -351.862
where: short stacking energy: -135.515
Base-Backbone interact. energy: -1.221
local terms energy: -170.211335
where:
bonds (distance) C4'-P energy: -38.783
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: -36.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -467.651955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.651955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.651955 (E_RNA)
where:
Base-Base interactions energy: -301.217
where: short stacking energy: -119.421
Base-Backbone interact. energy: 1.196
local terms energy: -167.630174
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -46.071
flat angles C4'-P-C4' energy: -35.357
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -27.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -298.618263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.618263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.618263 (E_RNA)
where:
Base-Base interactions energy: -152.518
where: short stacking energy: -82.497
Base-Backbone interact. energy: -0.206
local terms energy: -145.894478
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -44.116
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -199.621211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.621211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.621211 (E_RNA)
where:
Base-Base interactions energy: -77.093
where: short stacking energy: -63.101
Base-Backbone interact. energy: -1.263
local terms energy: -121.265104
where:
bonds (distance) C4'-P energy: -28.695
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -177.166111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.166111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.166111 (E_RNA)
where:
Base-Base interactions energy: -63.968
where: short stacking energy: -56.736
Base-Backbone interact. energy: -1.176
local terms energy: -112.022068
where:
bonds (distance) C4'-P energy: -29.405
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -31.914
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: 3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -169.010513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.010513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.010513 (E_RNA)
where:
Base-Base interactions energy: -58.217
where: short stacking energy: -48.955
Base-Backbone interact. energy: 0.041
local terms energy: -110.834801
where:
bonds (distance) C4'-P energy: -37.831
bonds (distance) P-C4' energy: -36.480
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: 9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -695.344197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.344197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.344197 (E_RNA)
where:
Base-Base interactions energy: -468.058
where: short stacking energy: -202.463
Base-Backbone interact. energy: -1.230
local terms energy: -226.056751
where:
bonds (distance) C4'-P energy: -43.382
bonds (distance) P-C4' energy: -41.748
flat angles C4'-P-C4' energy: -46.590
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -61.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -668.637898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.637898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.637898 (E_RNA)
where:
Base-Base interactions energy: -462.208
where: short stacking energy: -171.392
Base-Backbone interact. energy: -0.128
local terms energy: -206.301557
where:
bonds (distance) C4'-P energy: -41.494
bonds (distance) P-C4' energy: -41.889
flat angles C4'-P-C4' energy: -38.162
flat angles P-C4'-P energy: -33.084
tors. eta vs tors. theta energy: -51.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -594.863168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.863168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.863168 (E_RNA)
where:
Base-Base interactions energy: -397.081
where: short stacking energy: -188.069
Base-Backbone interact. energy: -0.188
local terms energy: -197.594199
where:
bonds (distance) C4'-P energy: -41.554
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -55.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -618.337118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.337118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.337118 (E_RNA)
where:
Base-Base interactions energy: -429.239
where: short stacking energy: -177.132
Base-Backbone interact. energy: -0.172
local terms energy: -188.926591
where:
bonds (distance) C4'-P energy: -34.480
bonds (distance) P-C4' energy: -38.537
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -55.963
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: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -521.785261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.785261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.785261 (E_RNA)
where:
Base-Base interactions energy: -350.999
where: short stacking energy: -144.411
Base-Backbone interact. energy: -0.651
local terms energy: -170.135134
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -38.199
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -22.138
tors. eta vs tors. theta energy: -36.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -503.353959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.353959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.353959 (E_RNA)
where:
Base-Base interactions energy: -324.323
where: short stacking energy: -139.392
Base-Backbone interact. energy: -0.498
local terms energy: -178.532541
where:
bonds (distance) C4'-P energy: -38.106
bonds (distance) P-C4' energy: -40.420
flat angles C4'-P-C4' energy: -40.849
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -40.857
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: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -315.300560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.300560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.300560 (E_RNA)
where:
Base-Base interactions energy: -150.189
where: short stacking energy: -92.459
Base-Backbone interact. energy: 0.262
local terms energy: -165.373823
where:
bonds (distance) C4'-P energy: -32.389
bonds (distance) P-C4' energy: -42.514
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -26.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -194.832083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.832083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.832083 (E_RNA)
where:
Base-Base interactions energy: -69.776
where: short stacking energy: -54.968
Base-Backbone interact. energy: -0.590
local terms energy: -124.465412
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -39.307
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -183.199406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.199406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.199406 (E_RNA)
where:
Base-Base interactions energy: -50.722
where: short stacking energy: -47.413
Base-Backbone interact. energy: -1.029
local terms energy: -131.448356
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -41.188
flat angles C4'-P-C4' energy: -38.619
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -2.633
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: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -162.136805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.136805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.136805 (E_RNA)
where:
Base-Base interactions energy: -46.543
where: short stacking energy: -35.214
Base-Backbone interact. energy: 4.753
local terms energy: -120.347222
where:
bonds (distance) C4'-P energy: -37.206
bonds (distance) P-C4' energy: -35.891
flat angles C4'-P-C4' energy: -36.793
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: 9.961
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: 443
Temperature: 0.900000
Total energy: -703.148421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.148421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.148421 (E_RNA)
where:
Base-Base interactions energy: -486.197
where: short stacking energy: -216.417
Base-Backbone interact. energy: -0.311
local terms energy: -216.640393
where:
bonds (distance) C4'-P energy: -39.768
bonds (distance) P-C4' energy: -39.213
flat angles C4'-P-C4' energy: -39.767
flat angles P-C4'-P energy: -29.814
tors. eta vs tors. theta energy: -68.079
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: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -693.179232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.179232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.179232 (E_RNA)
where:
Base-Base interactions energy: -474.974
where: short stacking energy: -184.424
Base-Backbone interact. energy: -1.141
local terms energy: -217.063974
where:
bonds (distance) C4'-P energy: -42.191
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -44.824
flat angles P-C4'-P energy: -30.541
tors. eta vs tors. theta energy: -55.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -580.685951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.685951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.685951 (E_RNA)
where:
Base-Base interactions energy: -382.801
where: short stacking energy: -170.893
Base-Backbone interact. energy: -0.916
local terms energy: -196.968645
where:
bonds (distance) C4'-P energy: -33.432
bonds (distance) P-C4' energy: -40.343
flat angles C4'-P-C4' energy: -43.614
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -52.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -608.776304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.776304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.776304 (E_RNA)
where:
Base-Base interactions energy: -430.102
where: short stacking energy: -175.300
Base-Backbone interact. energy: -0.096
local terms energy: -178.577575
where:
bonds (distance) C4'-P energy: -39.040
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -40.086
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -48.277
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: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -535.533752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.533752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.533752 (E_RNA)
where:
Base-Base interactions energy: -368.502
where: short stacking energy: -146.340
Base-Backbone interact. energy: -0.621
local terms energy: -166.410170
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -34.472
flat angles C4'-P-C4' energy: -40.893
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -37.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -458.138610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.138610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.138610 (E_RNA)
where:
Base-Base interactions energy: -285.321
where: short stacking energy: -115.227
Base-Backbone interact. energy: -0.594
local terms energy: -172.224484
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -39.150
flat angles C4'-P-C4' energy: -42.783
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -32.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -328.704349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.704349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.704349 (E_RNA)
where:
Base-Base interactions energy: -191.226
where: short stacking energy: -107.988
Base-Backbone interact. energy: -0.532
local terms energy: -136.946061
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -33.399
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -22.021
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: 443
Temperature: 1.250000
Total energy: -213.669066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.669066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.669066 (E_RNA)
where:
Base-Base interactions energy: -96.501
where: short stacking energy: -59.904
Base-Backbone interact. energy: -1.729
local terms energy: -115.439104
where:
bonds (distance) C4'-P energy: -31.532
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: 0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -193.777862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.777862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.777862 (E_RNA)
where:
Base-Base interactions energy: -68.803
where: short stacking energy: -59.590
Base-Backbone interact. energy: -1.571
local terms energy: -123.404042
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -16.749
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: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -171.542583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.542583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.542583 (E_RNA)
where:
Base-Base interactions energy: -44.308
where: short stacking energy: -41.633
Base-Backbone interact. energy: -0.823
local terms energy: -126.411411
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -37.671
flat angles C4'-P-C4' energy: -30.618
flat angles P-C4'-P energy: -24.010
tors. eta vs tors. theta energy: 2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -696.174788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.174788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.174788 (E_RNA)
where:
Base-Base interactions energy: -483.429
where: short stacking energy: -205.745
Base-Backbone interact. energy: -0.598
local terms energy: -212.148617
where:
bonds (distance) C4'-P energy: -40.215
bonds (distance) P-C4' energy: -36.678
flat angles C4'-P-C4' energy: -46.061
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -61.839
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: 2, replica: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -674.562366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.562366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.562366 (E_RNA)
where:
Base-Base interactions energy: -474.039
where: short stacking energy: -196.021
Base-Backbone interact. energy: -1.704
local terms energy: -198.818790
where:
bonds (distance) C4'-P energy: -36.794
bonds (distance) P-C4' energy: -31.514
flat angles C4'-P-C4' energy: -46.392
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -59.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -629.490274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.490274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.490274 (E_RNA)
where:
Base-Base interactions energy: -436.464
where: short stacking energy: -165.828
Base-Backbone interact. energy: -0.633
local terms energy: -192.393603
where:
bonds (distance) C4'-P energy: -43.939
bonds (distance) P-C4' energy: -38.108
flat angles C4'-P-C4' energy: -33.261
flat angles P-C4'-P energy: -26.263
tors. eta vs tors. theta energy: -50.824
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: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -581.147762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.147762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.147762 (E_RNA)
where:
Base-Base interactions energy: -374.622
where: short stacking energy: -184.032
Base-Backbone interact. energy: -0.407
local terms energy: -206.118758
where:
bonds (distance) C4'-P energy: -40.695
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -40.569
flat angles P-C4'-P energy: -25.419
tors. eta vs tors. theta energy: -55.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -536.626203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.626203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.626203 (E_RNA)
where:
Base-Base interactions energy: -362.034
where: short stacking energy: -150.945
Base-Backbone interact. energy: -0.438
local terms energy: -174.154419
where:
bonds (distance) C4'-P energy: -37.156
bonds (distance) P-C4' energy: -35.104
flat angles C4'-P-C4' energy: -41.409
flat angles P-C4'-P energy: -22.174
tors. eta vs tors. theta energy: -38.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -458.508864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.508864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.508864 (E_RNA)
where:
Base-Base interactions energy: -293.541
where: short stacking energy: -113.157
Base-Backbone interact. energy: -0.945
local terms energy: -164.022827
where:
bonds (distance) C4'-P energy: -37.642
bonds (distance) P-C4' energy: -33.287
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -28.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -226.694222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.694222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.694222 (E_RNA)
where:
Base-Base interactions energy: -101.165
where: short stacking energy: -76.496
Base-Backbone interact. energy: 0.549
local terms energy: -126.078984
where:
bonds (distance) C4'-P energy: -30.194
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -28.050
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -11.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -320.693815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.693815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.693815 (E_RNA)
where:
Base-Base interactions energy: -180.715
where: short stacking energy: -82.466
Base-Backbone interact. energy: -0.682
local terms energy: -139.296157
where:
bonds (distance) C4'-P energy: -37.685
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -39.044
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -175.853428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.853428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.853428 (E_RNA)
where:
Base-Base interactions energy: -57.730
where: short stacking energy: -49.441
Base-Backbone interact. energy: -0.875
local terms energy: -117.249005
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -43.343
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -167.504258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.504258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.504258 (E_RNA)
where:
Base-Base interactions energy: -58.792
where: short stacking energy: -54.016
Base-Backbone interact. energy: -1.857
local terms energy: -106.855758
where:
bonds (distance) C4'-P energy: -31.167
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -34.137
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: 9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -704.357352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.357352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.357352 (E_RNA)
where:
Base-Base interactions energy: -477.614
where: short stacking energy: -198.170
Base-Backbone interact. energy: -0.481
local terms energy: -226.262446
where:
bonds (distance) C4'-P energy: -44.977
bonds (distance) P-C4' energy: -38.487
flat angles C4'-P-C4' energy: -44.606
flat angles P-C4'-P energy: -35.341
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: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -675.641976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.641976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.641976 (E_RNA)
where:
Base-Base interactions energy: -475.642
where: short stacking energy: -175.798
Base-Backbone interact. energy: -0.977
local terms energy: -199.022849
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -38.467
flat angles C4'-P-C4' energy: -35.630
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -58.197
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: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -651.212233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.212233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.212233 (E_RNA)
where:
Base-Base interactions energy: -440.744
where: short stacking energy: -197.150
Base-Backbone interact. energy: 0.508
local terms energy: -210.976435
where:
bonds (distance) C4'-P energy: -33.814
bonds (distance) P-C4' energy: -35.724
flat angles C4'-P-C4' energy: -42.224
flat angles P-C4'-P energy: -35.305
tors. eta vs tors. theta energy: -63.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -589.958593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.958593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.958593 (E_RNA)
where:
Base-Base interactions energy: -386.454
where: short stacking energy: -179.134
Base-Backbone interact. energy: -0.135
local terms energy: -203.369327
where:
bonds (distance) C4'-P energy: -44.713
bonds (distance) P-C4' energy: -38.759
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -28.399
tors. eta vs tors. theta energy: -52.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -539.458415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.458415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.458415 (E_RNA)
where:
Base-Base interactions energy: -349.183
where: short stacking energy: -142.245
Base-Backbone interact. energy: -1.277
local terms energy: -188.998470
where:
bonds (distance) C4'-P energy: -36.729
bonds (distance) P-C4' energy: -34.007
flat angles C4'-P-C4' energy: -46.826
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -47.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -482.744422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.744422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.744422 (E_RNA)
where:
Base-Base interactions energy: -311.272
where: short stacking energy: -137.367
Base-Backbone interact. energy: 0.272
local terms energy: -171.744394
where:
bonds (distance) C4'-P energy: -36.511
bonds (distance) P-C4' energy: -37.677
flat angles C4'-P-C4' energy: -39.381
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -43.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -247.395349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.395349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.395349 (E_RNA)
where:
Base-Base interactions energy: -117.489
where: short stacking energy: -70.928
Base-Backbone interact. energy: -0.362
local terms energy: -129.543851
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -36.584
flat angles C4'-P-C4' energy: -39.582
flat angles P-C4'-P energy: -26.614
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -314.790828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.790828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.790828 (E_RNA)
where:
Base-Base interactions energy: -165.604
where: short stacking energy: -87.334
Base-Backbone interact. energy: -0.981
local terms energy: -148.205274
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -43.304
flat angles C4'-P-C4' energy: -27.038
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -170.949528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.949528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.949528 (E_RNA)
where:
Base-Base interactions energy: -64.118
where: short stacking energy: -40.730
Base-Backbone interact. energy: -1.185
local terms energy: -105.646898
where:
bonds (distance) C4'-P energy: -25.615
bonds (distance) P-C4' energy: -39.898
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: 2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -166.205104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.205104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.205104 (E_RNA)
where:
Base-Base interactions energy: -52.419
where: short stacking energy: -49.766
Base-Backbone interact. energy: -1.206
local terms energy: -112.580419
where:
bonds (distance) C4'-P energy: -33.082
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -692.604211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.604211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.604211 (E_RNA)
where:
Base-Base interactions energy: -486.200
where: short stacking energy: -178.007
Base-Backbone interact. energy: -0.627
local terms energy: -205.777467
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -38.201
flat angles C4'-P-C4' energy: -43.236
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: -50.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -674.573877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.573877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.573877 (E_RNA)
where:
Base-Base interactions energy: -452.252
where: short stacking energy: -201.993
Base-Backbone interact. energy: -0.936
local terms energy: -221.386716
where:
bonds (distance) C4'-P energy: -41.747
bonds (distance) P-C4' energy: -45.562
flat angles C4'-P-C4' energy: -44.027
flat angles P-C4'-P energy: -31.717
tors. eta vs tors. theta energy: -58.334
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: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -664.766749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.766749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.766749 (E_RNA)
where:
Base-Base interactions energy: -454.492
where: short stacking energy: -177.963
Base-Backbone interact. energy: -1.684
local terms energy: -208.591038
where:
bonds (distance) C4'-P energy: -40.099
bonds (distance) P-C4' energy: -42.462
flat angles C4'-P-C4' energy: -42.258
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -57.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -573.229386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.229386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.229386 (E_RNA)
where:
Base-Base interactions energy: -382.416
where: short stacking energy: -179.162
Base-Backbone interact. energy: 1.237
local terms energy: -192.050940
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -37.285
flat angles C4'-P-C4' energy: -39.324
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -57.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -492.708623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.708623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.708623 (E_RNA)
where:
Base-Base interactions energy: -328.721
where: short stacking energy: -142.187
Base-Backbone interact. energy: -0.188
local terms energy: -163.798983
where:
bonds (distance) C4'-P energy: -38.455
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -43.077
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -33.323
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: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -522.228045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.228045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.228045 (E_RNA)
where:
Base-Base interactions energy: -344.592
where: short stacking energy: -146.547
Base-Backbone interact. energy: 0.596
local terms energy: -178.231877
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -33.767
flat angles C4'-P-C4' energy: -43.440
flat angles P-C4'-P energy: -28.177
tors. eta vs tors. theta energy: -36.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -303.838387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.838387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.838387 (E_RNA)
where:
Base-Base interactions energy: -162.658
where: short stacking energy: -86.777
Base-Backbone interact. energy: -0.660
local terms energy: -140.520785
where:
bonds (distance) C4'-P energy: -36.023
bonds (distance) P-C4' energy: -33.385
flat angles C4'-P-C4' energy: -31.192
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -15.856
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: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -254.773332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.773332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.773332 (E_RNA)
where:
Base-Base interactions energy: -121.504
where: short stacking energy: -72.504
Base-Backbone interact. energy: 1.413
local terms energy: -134.682501
where:
bonds (distance) C4'-P energy: -34.339
bonds (distance) P-C4' energy: -36.239
flat angles C4'-P-C4' energy: -32.648
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -9.054
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: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -189.687627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.687627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.687627 (E_RNA)
where:
Base-Base interactions energy: -54.191
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.720
local terms energy: -134.776595
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -43.656
flat angles P-C4'-P energy: -23.471
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: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -163.744234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.744234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.744234 (E_RNA)
where:
Base-Base interactions energy: -55.620
where: short stacking energy: -29.426
Base-Backbone interact. energy: 1.658
local terms energy: -109.783022
where:
bonds (distance) C4'-P energy: -37.717
bonds (distance) P-C4' energy: -37.636
flat angles C4'-P-C4' energy: -31.260
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: 8.059
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: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -697.397588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.397588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.397588 (E_RNA)
where:
Base-Base interactions energy: -486.005
where: short stacking energy: -184.653
Base-Backbone interact. energy: -0.608
local terms energy: -210.785052
where:
bonds (distance) C4'-P energy: -38.096
bonds (distance) P-C4' energy: -41.246
flat angles C4'-P-C4' energy: -44.758
flat angles P-C4'-P energy: -34.832
tors. eta vs tors. theta energy: -51.853
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: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -677.266996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.266996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.266996 (E_RNA)
where:
Base-Base interactions energy: -456.690
where: short stacking energy: -193.888
Base-Backbone interact. energy: -1.451
local terms energy: -219.126095
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -45.780
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -62.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -653.053061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.053061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.053061 (E_RNA)
where:
Base-Base interactions energy: -461.150
where: short stacking energy: -196.495
Base-Backbone interact. energy: -0.652
local terms energy: -191.250485
where:
bonds (distance) C4'-P energy: -35.787
bonds (distance) P-C4' energy: -28.208
flat angles C4'-P-C4' energy: -43.338
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -58.849
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: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -578.120531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.120531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.120531 (E_RNA)
where:
Base-Base interactions energy: -374.445
where: short stacking energy: -166.823
Base-Backbone interact. energy: -0.743
local terms energy: -202.932108
where:
bonds (distance) C4'-P energy: -42.622
bonds (distance) P-C4' energy: -37.012
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -34.003
tors. eta vs tors. theta energy: -53.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -472.372779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.372779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.372779 (E_RNA)
where:
Base-Base interactions energy: -300.414
where: short stacking energy: -133.072
Base-Backbone interact. energy: -1.175
local terms energy: -170.783169
where:
bonds (distance) C4'-P energy: -39.983
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -37.150
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -38.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -536.131229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.131229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.131229 (E_RNA)
where:
Base-Base interactions energy: -363.024
where: short stacking energy: -151.236
Base-Backbone interact. energy: -0.662
local terms energy: -172.444561
where:
bonds (distance) C4'-P energy: -35.332
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -38.556
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -46.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -313.345288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.345288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.345288 (E_RNA)
where:
Base-Base interactions energy: -171.437
where: short stacking energy: -93.831
Base-Backbone interact. energy: -1.399
local terms energy: -140.509333
where:
bonds (distance) C4'-P energy: -32.984
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -38.250
flat angles P-C4'-P energy: -23.619
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -222.079134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.079134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.079134 (E_RNA)
where:
Base-Base interactions energy: -90.363
where: short stacking energy: -57.974
Base-Backbone interact. energy: -1.348
local terms energy: -130.368107
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -41.060
flat angles C4'-P-C4' energy: -32.223
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: 7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -175.226696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.226696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.226696 (E_RNA)
where:
Base-Base interactions energy: -71.586
where: short stacking energy: -66.503
Base-Backbone interact. energy: -0.406
local terms energy: -103.234425
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -160.732728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.732728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.732728 (E_RNA)
where:
Base-Base interactions energy: -43.776
where: short stacking energy: -35.930
Base-Backbone interact. energy: -1.172
local terms energy: -115.785329
where:
bonds (distance) C4'-P energy: -33.756
bonds (distance) P-C4' energy: -39.136
flat angles C4'-P-C4' energy: -27.639
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: 1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -695.035746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.035746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.035746 (E_RNA)
where:
Base-Base interactions energy: -480.082
where: short stacking energy: -205.353
Base-Backbone interact. energy: -0.495
local terms energy: -214.458337
where:
bonds (distance) C4'-P energy: -42.865
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -46.465
flat angles P-C4'-P energy: -32.950
tors. eta vs tors. theta energy: -59.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -689.397663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.397663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.397663 (E_RNA)
where:
Base-Base interactions energy: -471.687
where: short stacking energy: -190.369
Base-Backbone interact. energy: 0.329
local terms energy: -218.039169
where:
bonds (distance) C4'-P energy: -41.318
bonds (distance) P-C4' energy: -39.900
flat angles C4'-P-C4' energy: -47.743
flat angles P-C4'-P energy: -37.051
tors. eta vs tors. theta energy: -52.027
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: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -666.411233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.411233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.411233 (E_RNA)
where:
Base-Base interactions energy: -458.867
where: short stacking energy: -187.695
Base-Backbone interact. energy: -1.574
local terms energy: -205.969534
where:
bonds (distance) C4'-P energy: -38.363
bonds (distance) P-C4' energy: -37.789
flat angles C4'-P-C4' energy: -46.772
flat angles P-C4'-P energy: -26.356
tors. eta vs tors. theta energy: -56.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -582.429028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.429028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.429028 (E_RNA)
where:
Base-Base interactions energy: -377.632
where: short stacking energy: -180.151
Base-Backbone interact. energy: -1.393
local terms energy: -203.403686
where:
bonds (distance) C4'-P energy: -38.390
bonds (distance) P-C4' energy: -40.952
flat angles C4'-P-C4' energy: -41.812
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -53.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -543.917762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.917762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.917762 (E_RNA)
where:
Base-Base interactions energy: -372.417
where: short stacking energy: -162.737
Base-Backbone interact. energy: -1.752
local terms energy: -169.749232
where:
bonds (distance) C4'-P energy: -36.425
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -27.018
tors. eta vs tors. theta energy: -43.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -492.141320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.141320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.141320 (E_RNA)
where:
Base-Base interactions energy: -322.029
where: short stacking energy: -133.609
Base-Backbone interact. energy: -0.543
local terms energy: -169.569164
where:
bonds (distance) C4'-P energy: -29.593
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -40.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -297.531276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.531276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.531276 (E_RNA)
where:
Base-Base interactions energy: -154.494
where: short stacking energy: -86.828
Base-Backbone interact. energy: -0.320
local terms energy: -142.717783
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -39.369
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -213.578748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.578748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.578748 (E_RNA)
where:
Base-Base interactions energy: -90.458
where: short stacking energy: -87.137
Base-Backbone interact. energy: -0.440
local terms energy: -122.680936
where:
bonds (distance) C4'-P energy: -24.752
bonds (distance) P-C4' energy: -37.600
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -196.014562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.014562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.014562 (E_RNA)
where:
Base-Base interactions energy: -65.077
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.724
local terms energy: -130.213910
where:
bonds (distance) C4'-P energy: -37.409
bonds (distance) P-C4' energy: -39.885
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -170.173583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.173583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.173583 (E_RNA)
where:
Base-Base interactions energy: -52.485
where: short stacking energy: -48.946
Base-Backbone interact. energy: -0.617
local terms energy: -117.071263
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -36.122
flat angles C4'-P-C4' energy: -34.611
flat angles P-C4'-P energy: -23.479
tors. eta vs tors. theta energy: 5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -693.627826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.627826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.627826 (E_RNA)
where:
Base-Base interactions energy: -476.948
where: short stacking energy: -204.957
Base-Backbone interact. energy: -0.606
local terms energy: -216.073218
where:
bonds (distance) C4'-P energy: -42.865
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -42.424
flat angles P-C4'-P energy: -33.019
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: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -688.138449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.138449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.138449 (E_RNA)
where:
Base-Base interactions energy: -477.873
where: short stacking energy: -183.318
Base-Backbone interact. energy: -0.789
local terms energy: -209.476626
where:
bonds (distance) C4'-P energy: -34.094
bonds (distance) P-C4' energy: -37.693
flat angles C4'-P-C4' energy: -46.802
flat angles P-C4'-P energy: -36.068
tors. eta vs tors. theta energy: -54.820
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: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -662.514161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.514161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.514161 (E_RNA)
where:
Base-Base interactions energy: -458.802
where: short stacking energy: -176.798
Base-Backbone interact. energy: -1.066
local terms energy: -202.645898
where:
bonds (distance) C4'-P energy: -39.048
bonds (distance) P-C4' energy: -43.043
flat angles C4'-P-C4' energy: -42.103
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -54.292
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: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -578.348021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.348021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.348021 (E_RNA)
where:
Base-Base interactions energy: -383.941
where: short stacking energy: -172.558
Base-Backbone interact. energy: -0.288
local terms energy: -194.119096
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -30.325
flat angles C4'-P-C4' energy: -42.675
flat angles P-C4'-P energy: -28.070
tors. eta vs tors. theta energy: -56.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -537.019435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.019435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.019435 (E_RNA)
where:
Base-Base interactions energy: -365.839
where: short stacking energy: -154.418
Base-Backbone interact. energy: -1.288
local terms energy: -169.893223
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -35.018
flat angles C4'-P-C4' energy: -37.283
flat angles P-C4'-P energy: -27.512
tors. eta vs tors. theta energy: -36.523
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: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -495.155785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.155785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.155785 (E_RNA)
where:
Base-Base interactions energy: -321.842
where: short stacking energy: -129.093
Base-Backbone interact. energy: -0.282
local terms energy: -173.031852
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -39.640
flat angles C4'-P-C4' energy: -39.075
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -35.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -282.796709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.796709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.796709 (E_RNA)
where:
Base-Base interactions energy: -142.164
where: short stacking energy: -83.961
Base-Backbone interact. energy: -0.410
local terms energy: -140.222780
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -36.934
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -9.444
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: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -192.423995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.423995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.423995 (E_RNA)
where:
Base-Base interactions energy: -64.638
where: short stacking energy: -60.894
Base-Backbone interact. energy: -1.117
local terms energy: -126.668316
where:
bonds (distance) C4'-P energy: -33.336
bonds (distance) P-C4' energy: -40.523
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -21.985
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -193.518715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.518715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.518715 (E_RNA)
where:
Base-Base interactions energy: -61.210
where: short stacking energy: -42.201
Base-Backbone interact. energy: -1.044
local terms energy: -131.265171
where:
bonds (distance) C4'-P energy: -34.231
bonds (distance) P-C4' energy: -35.605
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -23.422
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -169.688422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.688422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.688422 (E_RNA)
where:
Base-Base interactions energy: -58.038
where: short stacking energy: -41.486
Base-Backbone interact. energy: -0.022
local terms energy: -111.628573
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: 15.848
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: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -697.003593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.003593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.003593 (E_RNA)
where:
Base-Base interactions energy: -483.912
where: short stacking energy: -189.179
Base-Backbone interact. energy: -1.646
local terms energy: -211.446193
where:
bonds (distance) C4'-P energy: -39.290
bonds (distance) P-C4' energy: -38.260
flat angles C4'-P-C4' energy: -45.583
flat angles P-C4'-P energy: -33.830
tors. eta vs tors. theta energy: -54.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -674.619575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.619575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.619575 (E_RNA)
where:
Base-Base interactions energy: -456.463
where: short stacking energy: -196.574
Base-Backbone interact. energy: -0.028
local terms energy: -218.128576
where:
bonds (distance) C4'-P energy: -43.092
bonds (distance) P-C4' energy: -40.555
flat angles C4'-P-C4' energy: -47.133
flat angles P-C4'-P energy: -30.817
tors. eta vs tors. theta energy: -56.531
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: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -657.579760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.579760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.579760 (E_RNA)
where:
Base-Base interactions energy: -455.474
where: short stacking energy: -180.062
Base-Backbone interact. energy: -0.636
local terms energy: -201.470234
where:
bonds (distance) C4'-P energy: -39.196
bonds (distance) P-C4' energy: -34.126
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -25.489
tors. eta vs tors. theta energy: -59.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -599.407664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.407664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.407664 (E_RNA)
where:
Base-Base interactions energy: -406.401
where: short stacking energy: -169.327
Base-Backbone interact. energy: -1.757
local terms energy: -191.248974
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -46.044
flat angles C4'-P-C4' energy: -37.822
flat angles P-C4'-P energy: -26.972
tors. eta vs tors. theta energy: -54.592
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: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -550.514623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.514623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.514623 (E_RNA)
where:
Base-Base interactions energy: -361.393
where: short stacking energy: -160.488
Base-Backbone interact. energy: -1.224
local terms energy: -187.897521
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -42.146
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -30.212
tors. eta vs tors. theta energy: -46.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -495.309358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.309358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.309358 (E_RNA)
where:
Base-Base interactions energy: -333.424
where: short stacking energy: -128.960
Base-Backbone interact. energy: 0.716
local terms energy: -162.601469
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -34.921
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -35.790
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: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -285.353472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.353472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.353472 (E_RNA)
where:
Base-Base interactions energy: -157.852
where: short stacking energy: -85.824
Base-Backbone interact. energy: -0.873
local terms energy: -126.628851
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -38.317
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -26.317
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -197.615489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.615489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.615489 (E_RNA)
where:
Base-Base interactions energy: -81.507
where: short stacking energy: -61.766
Base-Backbone interact. energy: 2.000
local terms energy: -118.108823
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -40.411
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: 1.807
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: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -177.990912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.990912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.990912 (E_RNA)
where:
Base-Base interactions energy: -60.036
where: short stacking energy: -49.592
Base-Backbone interact. energy: -1.274
local terms energy: -116.680309
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -34.285
flat angles C4'-P-C4' energy: -30.101
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -182.163068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.163068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.163068 (E_RNA)
where:
Base-Base interactions energy: -58.208
where: short stacking energy: -49.062
Base-Backbone interact. energy: -1.192
local terms energy: -122.762942
where:
bonds (distance) C4'-P energy: -36.465
bonds (distance) P-C4' energy: -37.156
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: 6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -699.219879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.219879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.219879 (E_RNA)
where:
Base-Base interactions energy: -483.755
where: short stacking energy: -185.296
Base-Backbone interact. energy: 1.230
local terms energy: -216.695440
where:
bonds (distance) C4'-P energy: -45.970
bonds (distance) P-C4' energy: -37.307
flat angles C4'-P-C4' energy: -45.423
flat angles P-C4'-P energy: -31.174
tors. eta vs tors. theta energy: -56.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -688.963265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.963265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.963265 (E_RNA)
where:
Base-Base interactions energy: -464.531
where: short stacking energy: -180.158
Base-Backbone interact. energy: -0.488
local terms energy: -223.943939
where:
bonds (distance) C4'-P energy: -43.164
bonds (distance) P-C4' energy: -37.935
flat angles C4'-P-C4' energy: -50.326
flat angles P-C4'-P energy: -33.482
tors. eta vs tors. theta energy: -59.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -654.550480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.550480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.550480 (E_RNA)
where:
Base-Base interactions energy: -445.141
where: short stacking energy: -200.871
Base-Backbone interact. energy: -0.680
local terms energy: -208.729485
where:
bonds (distance) C4'-P energy: -40.725
bonds (distance) P-C4' energy: -43.873
flat angles C4'-P-C4' energy: -36.710
flat angles P-C4'-P energy: -27.730
tors. eta vs tors. theta energy: -59.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -596.497437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.497437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.497437 (E_RNA)
where:
Base-Base interactions energy: -402.423
where: short stacking energy: -183.051
Base-Backbone interact. energy: -0.110
local terms energy: -193.964041
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -33.927
flat angles C4'-P-C4' energy: -45.260
flat angles P-C4'-P energy: -27.259
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: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -537.738478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.738478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.738478 (E_RNA)
where:
Base-Base interactions energy: -353.601
where: short stacking energy: -148.638
Base-Backbone interact. energy: -0.866
local terms energy: -183.272185
where:
bonds (distance) C4'-P energy: -41.236
bonds (distance) P-C4' energy: -40.539
flat angles C4'-P-C4' energy: -39.974
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -36.455
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: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -482.206219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.206219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.206219 (E_RNA)
where:
Base-Base interactions energy: -314.118
where: short stacking energy: -139.014
Base-Backbone interact. energy: -0.591
local terms energy: -167.497999
where:
bonds (distance) C4'-P energy: -30.357
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -37.412
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -35.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -309.287169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.287169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.287169 (E_RNA)
where:
Base-Base interactions energy: -155.382
where: short stacking energy: -87.935
Base-Backbone interact. energy: -0.705
local terms energy: -153.200103
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -41.885
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -204.255694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.255694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.255694 (E_RNA)
where:
Base-Base interactions energy: -87.781
where: short stacking energy: -66.093
Base-Backbone interact. energy: -1.408
local terms energy: -115.066998
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -41.487
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -14.870
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: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -207.126959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.126959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.126959 (E_RNA)
where:
Base-Base interactions energy: -77.895
where: short stacking energy: -61.229
Base-Backbone interact. energy: -0.991
local terms energy: -128.240715
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -34.271
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: -5.702
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: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -167.108441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.108441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.108441 (E_RNA)
where:
Base-Base interactions energy: -54.455
where: short stacking energy: -45.429
Base-Backbone interact. energy: 0.607
local terms energy: -113.261212
where:
bonds (distance) C4'-P energy: -35.348
bonds (distance) P-C4' energy: -37.682
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: 5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -688.375343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.375343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.375343 (E_RNA)
where:
Base-Base interactions energy: -479.836
where: short stacking energy: -181.233
Base-Backbone interact. energy: -0.854
local terms energy: -207.684925
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -37.557
flat angles C4'-P-C4' energy: -39.334
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -58.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -678.516866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.516866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.516866 (E_RNA)
where:
Base-Base interactions energy: -479.352
where: short stacking energy: -185.632
Base-Backbone interact. energy: 2.956
local terms energy: -202.120081
where:
bonds (distance) C4'-P energy: -35.593
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -41.062
flat angles P-C4'-P energy: -32.867
tors. eta vs tors. theta energy: -55.274
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: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -651.870146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.870146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.870146 (E_RNA)
where:
Base-Base interactions energy: -445.999
where: short stacking energy: -189.438
Base-Backbone interact. energy: 0.206
local terms energy: -206.077270
where:
bonds (distance) C4'-P energy: -33.179
bonds (distance) P-C4' energy: -39.470
flat angles C4'-P-C4' energy: -44.957
flat angles P-C4'-P energy: -25.189
tors. eta vs tors. theta energy: -63.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -605.031664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.031664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.031664 (E_RNA)
where:
Base-Base interactions energy: -401.639
where: short stacking energy: -174.839
Base-Backbone interact. energy: -0.124
local terms energy: -203.269121
where:
bonds (distance) C4'-P energy: -41.756
bonds (distance) P-C4' energy: -41.515
flat angles C4'-P-C4' energy: -38.524
flat angles P-C4'-P energy: -24.905
tors. eta vs tors. theta energy: -56.568
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: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -553.729449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.729449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.729449 (E_RNA)
where:
Base-Base interactions energy: -380.997
where: short stacking energy: -156.734
Base-Backbone interact. energy: -1.550
local terms energy: -171.182282
where:
bonds (distance) C4'-P energy: -34.414
bonds (distance) P-C4' energy: -32.824
flat angles C4'-P-C4' energy: -39.890
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -38.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -463.822343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.822343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.822343 (E_RNA)
where:
Base-Base interactions energy: -292.001
where: short stacking energy: -130.857
Base-Backbone interact. energy: 0.647
local terms energy: -172.468954
where:
bonds (distance) C4'-P energy: -28.426
bonds (distance) P-C4' energy: -37.938
flat angles C4'-P-C4' energy: -38.000
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -39.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -346.938882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.938882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.938882 (E_RNA)
where:
Base-Base interactions energy: -192.951
where: short stacking energy: -118.779
Base-Backbone interact. energy: -0.710
local terms energy: -153.278349
where:
bonds (distance) C4'-P energy: -28.954
bonds (distance) P-C4' energy: -35.254
flat angles C4'-P-C4' energy: -41.222
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -27.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -194.488334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.488334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.488334 (E_RNA)
where:
Base-Base interactions energy: -71.271
where: short stacking energy: -71.271
Base-Backbone interact. energy: -0.326
local terms energy: -122.891279
where:
bonds (distance) C4'-P energy: -31.613
bonds (distance) P-C4' energy: -37.917
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -8.304
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: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -184.608135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.608135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.608135 (E_RNA)
where:
Base-Base interactions energy: -63.608
where: short stacking energy: -49.762
Base-Backbone interact. energy: -1.092
local terms energy: -119.908196
where:
bonds (distance) C4'-P energy: -34.205
bonds (distance) P-C4' energy: -40.063
flat angles C4'-P-C4' energy: -32.068
flat angles P-C4'-P energy: -18.663
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: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -165.070037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.070037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.070037 (E_RNA)
where:
Base-Base interactions energy: -73.328
where: short stacking energy: -65.205
Base-Backbone interact. energy: -0.446
local terms energy: -91.295481
where:
bonds (distance) C4'-P energy: -29.709
bonds (distance) P-C4' energy: -30.437
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -695.352109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.352109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.352109 (E_RNA)
where:
Base-Base interactions energy: -485.082
where: short stacking energy: -203.654
Base-Backbone interact. energy: -0.829
local terms energy: -209.441744
where:
bonds (distance) C4'-P energy: -35.650
bonds (distance) P-C4' energy: -41.760
flat angles C4'-P-C4' energy: -47.009
flat angles P-C4'-P energy: -27.629
tors. eta vs tors. theta energy: -57.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -672.272282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.272282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.272282 (E_RNA)
where:
Base-Base interactions energy: -448.222
where: short stacking energy: -195.229
Base-Backbone interact. energy: -0.213
local terms energy: -223.837586
where:
bonds (distance) C4'-P energy: -41.637
bonds (distance) P-C4' energy: -40.968
flat angles C4'-P-C4' energy: -44.321
flat angles P-C4'-P energy: -35.057
tors. eta vs tors. theta energy: -61.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -665.920372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.920372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.920372 (E_RNA)
where:
Base-Base interactions energy: -465.852
where: short stacking energy: -185.861
Base-Backbone interact. energy: -0.676
local terms energy: -199.392728
where:
bonds (distance) C4'-P energy: -39.241
bonds (distance) P-C4' energy: -40.872
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -28.258
tors. eta vs tors. theta energy: -53.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -586.800262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.800262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.800262 (E_RNA)
where:
Base-Base interactions energy: -398.565
where: short stacking energy: -169.590
Base-Backbone interact. energy: -0.328
local terms energy: -187.907395
where:
bonds (distance) C4'-P energy: -40.045
bonds (distance) P-C4' energy: -36.067
flat angles C4'-P-C4' energy: -38.177
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: -50.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -534.873493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.873493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.873493 (E_RNA)
where:
Base-Base interactions energy: -365.673
where: short stacking energy: -151.807
Base-Backbone interact. energy: -0.688
local terms energy: -168.512520
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -37.563
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -29.127
tors. eta vs tors. theta energy: -38.332
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: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -461.437165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.437165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.437165 (E_RNA)
where:
Base-Base interactions energy: -294.491
where: short stacking energy: -134.622
Base-Backbone interact. energy: -2.256
local terms energy: -164.690801
where:
bonds (distance) C4'-P energy: -39.230
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -36.177
flat angles P-C4'-P energy: -26.520
tors. eta vs tors. theta energy: -29.180
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: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -367.104458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.104458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.104458 (E_RNA)
where:
Base-Base interactions energy: -211.102
where: short stacking energy: -119.697
Base-Backbone interact. energy: -0.679
local terms energy: -155.323568
where:
bonds (distance) C4'-P energy: -35.153
bonds (distance) P-C4' energy: -28.666
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -22.808
tors. eta vs tors. theta energy: -26.640
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: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -186.211881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.211881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.211881 (E_RNA)
where:
Base-Base interactions energy: -61.517
where: short stacking energy: -52.939
Base-Backbone interact. energy: -0.689
local terms energy: -124.005528
where:
bonds (distance) C4'-P energy: -36.805
bonds (distance) P-C4' energy: -40.765
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: 5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -198.188090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.188090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.188090 (E_RNA)
where:
Base-Base interactions energy: -86.851
where: short stacking energy: -43.329
Base-Backbone interact. energy: -0.788
local terms energy: -110.549041
where:
bonds (distance) C4'-P energy: -32.636
bonds (distance) P-C4' energy: -34.375
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: 9.201
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: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -165.333014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.333014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.333014 (E_RNA)
where:
Base-Base interactions energy: -54.400
where: short stacking energy: -51.412
Base-Backbone interact. energy: 0.469
local terms energy: -111.401663
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -35.913
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: 3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -688.402582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.402582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.402582 (E_RNA)
where:
Base-Base interactions energy: -466.334
where: short stacking energy: -214.158
Base-Backbone interact. energy: -0.443
local terms energy: -221.626104
where:
bonds (distance) C4'-P energy: -41.769
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -46.685
flat angles P-C4'-P energy: -30.884
tors. eta vs tors. theta energy: -62.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -677.685709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.685709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.685709 (E_RNA)
where:
Base-Base interactions energy: -477.454
where: short stacking energy: -194.366
Base-Backbone interact. energy: -0.832
local terms energy: -199.399918
where:
bonds (distance) C4'-P energy: -39.567
bonds (distance) P-C4' energy: -33.965
flat angles C4'-P-C4' energy: -42.718
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -59.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -666.095165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.095165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.095165 (E_RNA)
where:
Base-Base interactions energy: -465.294
where: short stacking energy: -176.095
Base-Backbone interact. energy: -0.647
local terms energy: -200.153584
where:
bonds (distance) C4'-P energy: -39.553
bonds (distance) P-C4' energy: -39.609
flat angles C4'-P-C4' energy: -39.910
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -53.606
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: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -583.536510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.536510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.536510 (E_RNA)
where:
Base-Base interactions energy: -391.471
where: short stacking energy: -163.112
Base-Backbone interact. energy: -0.308
local terms energy: -191.757715
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -52.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -550.941720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.941720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.941720 (E_RNA)
where:
Base-Base interactions energy: -373.585
where: short stacking energy: -155.569
Base-Backbone interact. energy: -0.802
local terms energy: -176.555110
where:
bonds (distance) C4'-P energy: -38.467
bonds (distance) P-C4' energy: -35.942
flat angles C4'-P-C4' energy: -35.561
flat angles P-C4'-P energy: -28.498
tors. eta vs tors. theta energy: -38.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -488.623644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.623644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.623644 (E_RNA)
where:
Base-Base interactions energy: -309.911
where: short stacking energy: -143.285
Base-Backbone interact. energy: -0.367
local terms energy: -178.345680
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -38.156
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -44.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -333.548190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.548190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.548190 (E_RNA)
where:
Base-Base interactions energy: -189.000
where: short stacking energy: -91.906
Base-Backbone interact. energy: -0.588
local terms energy: -143.960663
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -40.036
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -21.675
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: 454
Temperature: 1.250000
Total energy: -189.505209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.505209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.505209 (E_RNA)
where:
Base-Base interactions energy: -49.810
where: short stacking energy: -49.930
Base-Backbone interact. energy: -1.174
local terms energy: -138.520868
where:
bonds (distance) C4'-P energy: -39.933
bonds (distance) P-C4' energy: -39.034
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -2.342
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: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -178.091597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.091597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.091597 (E_RNA)
where:
Base-Base interactions energy: -53.548
where: short stacking energy: -37.102
Base-Backbone interact. energy: 0.925
local terms energy: -125.468986
where:
bonds (distance) C4'-P energy: -39.615
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -35.990
flat angles P-C4'-P energy: -18.932
tors. eta vs tors. theta energy: 2.036
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: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -217.226669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.226669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.226669 (E_RNA)
where:
Base-Base interactions energy: -84.186
where: short stacking energy: -51.794
Base-Backbone interact. energy: -0.611
local terms energy: -132.429968
where:
bonds (distance) C4'-P energy: -30.828
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -39.209
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: 0.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -692.175335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.175335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.175335 (E_RNA)
where:
Base-Base interactions energy: -478.257
where: short stacking energy: -215.166
Base-Backbone interact. energy: -0.228
local terms energy: -213.691147
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -33.968
flat angles C4'-P-C4' energy: -45.206
flat angles P-C4'-P energy: -33.346
tors. eta vs tors. theta energy: -64.884
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: 455
Temperature: 0.950000
Total energy: -679.706669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.706669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.706669 (E_RNA)
where:
Base-Base interactions energy: -467.250
where: short stacking energy: -187.454
Base-Backbone interact. energy: -1.294
local terms energy: -211.162587
where:
bonds (distance) C4'-P energy: -34.660
bonds (distance) P-C4' energy: -41.369
flat angles C4'-P-C4' energy: -48.612
flat angles P-C4'-P energy: -29.552
tors. eta vs tors. theta energy: -56.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -663.383821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.383821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.383821 (E_RNA)
where:
Base-Base interactions energy: -456.092
where: short stacking energy: -185.698
Base-Backbone interact. energy: -1.782
local terms energy: -205.510151
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -38.665
flat angles C4'-P-C4' energy: -43.037
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -54.272
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: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -585.854184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.854184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.854184 (E_RNA)
where:
Base-Base interactions energy: -392.619
where: short stacking energy: -175.470
Base-Backbone interact. energy: 0.212
local terms energy: -193.446594
where:
bonds (distance) C4'-P energy: -35.303
bonds (distance) P-C4' energy: -40.631
flat angles C4'-P-C4' energy: -41.683
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -49.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -561.178857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.178857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.178857 (E_RNA)
where:
Base-Base interactions energy: -383.975
where: short stacking energy: -149.023
Base-Backbone interact. energy: -1.337
local terms energy: -175.866204
where:
bonds (distance) C4'-P energy: -37.354
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -39.816
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -41.909
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: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -504.563988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.563988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.563988 (E_RNA)
where:
Base-Base interactions energy: -331.858
where: short stacking energy: -144.246
Base-Backbone interact. energy: -0.084
local terms energy: -172.621600
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -32.951
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -42.436
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: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -335.705625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.705625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.705625 (E_RNA)
where:
Base-Base interactions energy: -195.776
where: short stacking energy: -122.746
Base-Backbone interact. energy: 0.127
local terms energy: -140.057092
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -26.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -193.363763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.363763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.363763 (E_RNA)
where:
Base-Base interactions energy: -70.009
where: short stacking energy: -52.395
Base-Backbone interact. energy: 0.083
local terms energy: -123.438298
where:
bonds (distance) C4'-P energy: -30.381
bonds (distance) P-C4' energy: -40.535
flat angles C4'-P-C4' energy: -29.327
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -195.850444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.850444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.850444 (E_RNA)
where:
Base-Base interactions energy: -72.372
where: short stacking energy: -59.625
Base-Backbone interact. energy: -1.079
local terms energy: -122.399791
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -40.926
flat angles C4'-P-C4' energy: -32.909
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -3.794
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: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -178.023853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.023853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.023853 (E_RNA)
where:
Base-Base interactions energy: -67.942
where: short stacking energy: -44.105
Base-Backbone interact. energy: -0.724
local terms energy: -109.357590
where:
bonds (distance) C4'-P energy: -35.015
bonds (distance) P-C4' energy: -28.470
flat angles C4'-P-C4' energy: -33.381
flat angles P-C4'-P energy: -15.609
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: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -683.674302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.674302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.674302 (E_RNA)
where:
Base-Base interactions energy: -472.992
where: short stacking energy: -199.881
Base-Backbone interact. energy: -0.312
local terms energy: -210.370523
where:
bonds (distance) C4'-P energy: -38.524
bonds (distance) P-C4' energy: -38.225
flat angles C4'-P-C4' energy: -38.917
flat angles P-C4'-P energy: -31.835
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: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -659.592128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.592128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.592128 (E_RNA)
where:
Base-Base interactions energy: -464.781
where: short stacking energy: -192.071
Base-Backbone interact. energy: 0.795
local terms energy: -195.606033
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -35.705
flat angles C4'-P-C4' energy: -43.478
flat angles P-C4'-P energy: -32.979
tors. eta vs tors. theta energy: -52.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -644.704822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.704822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.704822 (E_RNA)
where:
Base-Base interactions energy: -430.335
where: short stacking energy: -173.899
Base-Backbone interact. energy: -0.545
local terms energy: -213.824587
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -37.760
flat angles C4'-P-C4' energy: -45.288
flat angles P-C4'-P energy: -31.534
tors. eta vs tors. theta energy: -54.241
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: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -592.847560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.847560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.847560 (E_RNA)
where:
Base-Base interactions energy: -397.538
where: short stacking energy: -175.587
Base-Backbone interact. energy: -0.281
local terms energy: -195.028354
where:
bonds (distance) C4'-P energy: -37.738
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -41.493
flat angles P-C4'-P energy: -27.868
tors. eta vs tors. theta energy: -53.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -552.055385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.055385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.055385 (E_RNA)
where:
Base-Base interactions energy: -377.871
where: short stacking energy: -148.630
Base-Backbone interact. energy: -0.472
local terms energy: -173.713092
where:
bonds (distance) C4'-P energy: -42.585
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -44.295
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -35.802
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: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -483.963255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.963255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.963255 (E_RNA)
where:
Base-Base interactions energy: -313.600
where: short stacking energy: -137.624
Base-Backbone interact. energy: -0.180
local terms energy: -170.184032
where:
bonds (distance) C4'-P energy: -33.111
bonds (distance) P-C4' energy: -37.367
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: -38.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -351.798314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.798314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.798314 (E_RNA)
where:
Base-Base interactions energy: -186.165
where: short stacking energy: -102.324
Base-Backbone interact. energy: 0.130
local terms energy: -165.763347
where:
bonds (distance) C4'-P energy: -36.774
bonds (distance) P-C4' energy: -36.799
flat angles C4'-P-C4' energy: -40.275
flat angles P-C4'-P energy: -26.612
tors. eta vs tors. theta energy: -25.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -203.987887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.987887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.987887 (E_RNA)
where:
Base-Base interactions energy: -78.355
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.449
local terms energy: -125.184057
where:
bonds (distance) C4'-P energy: -35.215
bonds (distance) P-C4' energy: -33.941
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -19.440
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: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -183.033411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.033411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.033411 (E_RNA)
where:
Base-Base interactions energy: -59.091
where: short stacking energy: -46.340
Base-Backbone interact. energy: 1.129
local terms energy: -125.071807
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -32.760
flat angles P-C4'-P energy: -25.384
tors. eta vs tors. theta energy: -1.901
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: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -163.254308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.254308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.254308 (E_RNA)
where:
Base-Base interactions energy: -66.645
where: short stacking energy: -54.632
Base-Backbone interact. energy: -0.689
local terms energy: -95.919455
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -693.097129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.097129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.097129 (E_RNA)
where:
Base-Base interactions energy: -477.661
where: short stacking energy: -210.292
Base-Backbone interact. energy: -0.325
local terms energy: -215.110966
where:
bonds (distance) C4'-P energy: -29.938
bonds (distance) P-C4' energy: -40.339
flat angles C4'-P-C4' energy: -45.532
flat angles P-C4'-P energy: -32.974
tors. eta vs tors. theta energy: -66.328
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: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -653.244596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.244596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.244596 (E_RNA)
where:
Base-Base interactions energy: -445.145
where: short stacking energy: -177.623
Base-Backbone interact. energy: -1.377
local terms energy: -206.722417
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -40.936
flat angles C4'-P-C4' energy: -45.186
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: -57.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -639.827943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.827943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.827943 (E_RNA)
where:
Base-Base interactions energy: -435.556
where: short stacking energy: -172.429
Base-Backbone interact. energy: -0.846
local terms energy: -203.426792
where:
bonds (distance) C4'-P energy: -31.906
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -42.284
flat angles P-C4'-P energy: -34.479
tors. eta vs tors. theta energy: -56.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -616.740592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.740592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.740592 (E_RNA)
where:
Base-Base interactions energy: -409.370
where: short stacking energy: -188.781
Base-Backbone interact. energy: -0.981
local terms energy: -206.389541
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -42.041
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: -59.215
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: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -549.482279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.482279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.482279 (E_RNA)
where:
Base-Base interactions energy: -385.441
where: short stacking energy: -148.958
Base-Backbone interact. energy: -0.628
local terms energy: -163.412887
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -39.346
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -42.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -483.657486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.657486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.657486 (E_RNA)
where:
Base-Base interactions energy: -307.276
where: short stacking energy: -129.109
Base-Backbone interact. energy: -1.188
local terms energy: -175.193515
where:
bonds (distance) C4'-P energy: -35.566
bonds (distance) P-C4' energy: -36.287
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -28.920
tors. eta vs tors. theta energy: -37.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -328.643661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.643661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.643661 (E_RNA)
where:
Base-Base interactions energy: -188.999
where: short stacking energy: -106.768
Base-Backbone interact. energy: -0.836
local terms energy: -138.808689
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -38.309
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -202.949020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.949020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.949020 (E_RNA)
where:
Base-Base interactions energy: -61.339
where: short stacking energy: -48.124
Base-Backbone interact. energy: -1.519
local terms energy: -140.090465
where:
bonds (distance) C4'-P energy: -44.659
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -27.874
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -189.260260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.260260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.260260 (E_RNA)
where:
Base-Base interactions energy: -75.990
where: short stacking energy: -58.761
Base-Backbone interact. energy: -0.517
local terms energy: -112.752892
where:
bonds (distance) C4'-P energy: -33.875
bonds (distance) P-C4' energy: -36.241
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -14.192
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: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -177.242875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.242875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.242875 (E_RNA)
where:
Base-Base interactions energy: -60.780
where: short stacking energy: -41.698
Base-Backbone interact. energy: -0.132
local terms energy: -116.330388
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -40.118
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: 2.699
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: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -696.596288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.596288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.596288 (E_RNA)
where:
Base-Base interactions energy: -471.436
where: short stacking energy: -205.100
Base-Backbone interact. energy: 0.740
local terms energy: -225.901106
where:
bonds (distance) C4'-P energy: -40.870
bonds (distance) P-C4' energy: -41.366
flat angles C4'-P-C4' energy: -43.464
flat angles P-C4'-P energy: -33.154
tors. eta vs tors. theta energy: -67.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -677.808207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.808207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.808207 (E_RNA)
where:
Base-Base interactions energy: -479.871
where: short stacking energy: -184.205
Base-Backbone interact. energy: -1.273
local terms energy: -196.664010
where:
bonds (distance) C4'-P energy: -37.096
bonds (distance) P-C4' energy: -37.623
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -58.137
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: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -631.002221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.002221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.002221 (E_RNA)
where:
Base-Base interactions energy: -436.952
where: short stacking energy: -170.998
Base-Backbone interact. energy: 1.452
local terms energy: -195.501840
where:
bonds (distance) C4'-P energy: -42.828
bonds (distance) P-C4' energy: -32.140
flat angles C4'-P-C4' energy: -41.374
flat angles P-C4'-P energy: -27.933
tors. eta vs tors. theta energy: -51.227
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: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -584.222776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.222776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.222776 (E_RNA)
where:
Base-Base interactions energy: -382.195
where: short stacking energy: -179.851
Base-Backbone interact. energy: -0.704
local terms energy: -201.323519
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -40.123
flat angles C4'-P-C4' energy: -45.733
flat angles P-C4'-P energy: -29.432
tors. eta vs tors. theta energy: -50.508
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: 5, replica: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -572.920470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.920470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.920470 (E_RNA)
where:
Base-Base interactions energy: -385.354
where: short stacking energy: -145.325
Base-Backbone interact. energy: -1.145
local terms energy: -186.421579
where:
bonds (distance) C4'-P energy: -40.061
bonds (distance) P-C4' energy: -39.343
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -43.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -494.601392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.601392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.601392 (E_RNA)
where:
Base-Base interactions energy: -317.188
where: short stacking energy: -129.242
Base-Backbone interact. energy: -0.309
local terms energy: -177.104221
where:
bonds (distance) C4'-P energy: -40.873
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -41.270
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -43.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -333.681146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.681146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.681146 (E_RNA)
where:
Base-Base interactions energy: -181.516
where: short stacking energy: -108.686
Base-Backbone interact. energy: -0.484
local terms energy: -151.681668
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -36.313
flat angles C4'-P-C4' energy: -33.275
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -197.898006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.898006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.898006 (E_RNA)
where:
Base-Base interactions energy: -89.346
where: short stacking energy: -43.304
Base-Backbone interact. energy: -1.896
local terms energy: -106.655391
where:
bonds (distance) C4'-P energy: -41.063
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: 7.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -204.905765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.905765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.905765 (E_RNA)
where:
Base-Base interactions energy: -77.627
where: short stacking energy: -65.941
Base-Backbone interact. energy: -0.106
local terms energy: -127.172768
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -40.873
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -21.966
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -171.538086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.538086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.538086 (E_RNA)
where:
Base-Base interactions energy: -58.770
where: short stacking energy: -51.020
Base-Backbone interact. energy: -1.067
local terms energy: -111.701291
where:
bonds (distance) C4'-P energy: -37.429
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -29.315
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: 0.870
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: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -705.778283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.778283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.778283 (E_RNA)
where:
Base-Base interactions energy: -477.698
where: short stacking energy: -214.735
Base-Backbone interact. energy: 0.055
local terms energy: -228.135631
where:
bonds (distance) C4'-P energy: -38.822
bonds (distance) P-C4' energy: -39.852
flat angles C4'-P-C4' energy: -47.023
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -64.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -678.555981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.555981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.555981 (E_RNA)
where:
Base-Base interactions energy: -469.051
where: short stacking energy: -184.225
Base-Backbone interact. energy: -0.853
local terms energy: -208.652155
where:
bonds (distance) C4'-P energy: -39.775
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -44.554
flat angles P-C4'-P energy: -30.214
tors. eta vs tors. theta energy: -52.007
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: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -625.078305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.078305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.078305 (E_RNA)
where:
Base-Base interactions energy: -423.033
where: short stacking energy: -170.056
Base-Backbone interact. energy: -0.706
local terms energy: -201.339794
where:
bonds (distance) C4'-P energy: -40.011
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -36.330
flat angles P-C4'-P energy: -31.587
tors. eta vs tors. theta energy: -56.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -554.402676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.402676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.402676 (E_RNA)
where:
Base-Base interactions energy: -370.538
where: short stacking energy: -171.062
Base-Backbone interact. energy: 0.390
local terms energy: -184.254825
where:
bonds (distance) C4'-P energy: -36.663
bonds (distance) P-C4' energy: -37.334
flat angles C4'-P-C4' energy: -39.800
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -49.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -541.380301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.380301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.380301 (E_RNA)
where:
Base-Base interactions energy: -354.161
where: short stacking energy: -163.761
Base-Backbone interact. energy: -0.857
local terms energy: -186.362410
where:
bonds (distance) C4'-P energy: -39.118
bonds (distance) P-C4' energy: -35.394
flat angles C4'-P-C4' energy: -38.698
flat angles P-C4'-P energy: -29.163
tors. eta vs tors. theta energy: -43.989
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: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -476.738065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.738065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.738065 (E_RNA)
where:
Base-Base interactions energy: -288.782
where: short stacking energy: -119.150
Base-Backbone interact. energy: -1.654
local terms energy: -186.301895
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -41.295
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -27.957
tors. eta vs tors. theta energy: -38.925
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: 459
Temperature: 1.200000
Total energy: -397.340410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.340410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.340410 (E_RNA)
where:
Base-Base interactions energy: -238.051
where: short stacking energy: -106.140
Base-Backbone interact. energy: 0.897
local terms energy: -160.186888
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -40.325
flat angles P-C4'-P energy: -24.409
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -212.085248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.085248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.085248 (E_RNA)
where:
Base-Base interactions energy: -90.004
where: short stacking energy: -60.515
Base-Backbone interact. energy: 0.600
local terms energy: -122.681294
where:
bonds (distance) C4'-P energy: -38.037
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -27.396
flat angles P-C4'-P energy: -21.156
tors. eta vs tors. theta energy: 0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -185.827318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.827318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.827318 (E_RNA)
where:
Base-Base interactions energy: -78.300
where: short stacking energy: -45.521
Base-Backbone interact. energy: 3.714
local terms energy: -111.241166
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -30.021
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -172.343166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.343166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.343166 (E_RNA)
where:
Base-Base interactions energy: -58.118
where: short stacking energy: -52.644
Base-Backbone interact. energy: -0.195
local terms energy: -114.030631
where:
bonds (distance) C4'-P energy: -37.875
bonds (distance) P-C4' energy: -31.413
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -693.451753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.451753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.451753 (E_RNA)
where:
Base-Base interactions energy: -473.796
where: short stacking energy: -209.441
Base-Backbone interact. energy: -0.712
local terms energy: -218.943693
where:
bonds (distance) C4'-P energy: -40.068
bonds (distance) P-C4' energy: -41.307
flat angles C4'-P-C4' energy: -44.699
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: -65.898
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: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -678.155312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.155312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.155312 (E_RNA)
where:
Base-Base interactions energy: -464.023
where: short stacking energy: -179.467
Base-Backbone interact. energy: 0.659
local terms energy: -214.792169
where:
bonds (distance) C4'-P energy: -42.146
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -46.095
flat angles P-C4'-P energy: -36.233
tors. eta vs tors. theta energy: -55.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -629.429065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.429065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.429065 (E_RNA)
where:
Base-Base interactions energy: -439.225
where: short stacking energy: -182.321
Base-Backbone interact. energy: -0.789
local terms energy: -189.414526
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -46.331
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -55.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -557.919481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.919481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.919481 (E_RNA)
where:
Base-Base interactions energy: -368.407
where: short stacking energy: -162.562
Base-Backbone interact. energy: -0.109
local terms energy: -189.403704
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -31.457
flat angles C4'-P-C4' energy: -41.518
flat angles P-C4'-P energy: -28.084
tors. eta vs tors. theta energy: -50.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -545.148215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.148215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.148215 (E_RNA)
where:
Base-Base interactions energy: -363.830
where: short stacking energy: -160.045
Base-Backbone interact. energy: -2.642
local terms energy: -178.676489
where:
bonds (distance) C4'-P energy: -35.805
bonds (distance) P-C4' energy: -34.721
flat angles C4'-P-C4' energy: -38.813
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -48.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -484.327136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.327136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.327136 (E_RNA)
where:
Base-Base interactions energy: -320.979
where: short stacking energy: -127.843
Base-Backbone interact. energy: -0.476
local terms energy: -162.872176
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -36.210
flat angles C4'-P-C4' energy: -38.985
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -35.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -416.499499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.499499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.499499 (E_RNA)
where:
Base-Base interactions energy: -248.290
where: short stacking energy: -120.895
Base-Backbone interact. energy: -1.583
local terms energy: -166.626363
where:
bonds (distance) C4'-P energy: -33.616
bonds (distance) P-C4' energy: -41.887
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -19.674
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: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -236.614866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.614866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.614866 (E_RNA)
where:
Base-Base interactions energy: -109.917
where: short stacking energy: -70.548
Base-Backbone interact. energy: -1.576
local terms energy: -125.122096
where:
bonds (distance) C4'-P energy: -36.733
bonds (distance) P-C4' energy: -36.197
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -178.438219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.438219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.438219 (E_RNA)
where:
Base-Base interactions energy: -53.025
where: short stacking energy: -34.486
Base-Backbone interact. energy: 2.335
local terms energy: -127.748948
where:
bonds (distance) C4'-P energy: -40.505
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: 2.380
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: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -179.669493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669493 (E_RNA)
where:
Base-Base interactions energy: -68.119
where: short stacking energy: -64.477
Base-Backbone interact. energy: 0.232
local terms energy: -111.782405
where:
bonds (distance) C4'-P energy: -33.776
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: 5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -708.856796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.856796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.856796 (E_RNA)
where:
Base-Base interactions energy: -490.476
where: short stacking energy: -221.304
Base-Backbone interact. energy: -0.416
local terms energy: -217.964882
where:
bonds (distance) C4'-P energy: -38.811
bonds (distance) P-C4' energy: -40.076
flat angles C4'-P-C4' energy: -47.122
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -64.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -660.100835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.100835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.100835 (E_RNA)
where:
Base-Base interactions energy: -460.853
where: short stacking energy: -171.671
Base-Backbone interact. energy: -1.873
local terms energy: -197.374883
where:
bonds (distance) C4'-P energy: -44.583
bonds (distance) P-C4' energy: -39.114
flat angles C4'-P-C4' energy: -42.262
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -49.779
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: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -670.025147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.025147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.025147 (E_RNA)
where:
Base-Base interactions energy: -465.044
where: short stacking energy: -190.652
Base-Backbone interact. energy: -0.851
local terms energy: -204.129576
where:
bonds (distance) C4'-P energy: -37.569
bonds (distance) P-C4' energy: -37.927
flat angles C4'-P-C4' energy: -43.323
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -60.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -555.329607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.329607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.329607 (E_RNA)
where:
Base-Base interactions energy: -377.974
where: short stacking energy: -161.145
Base-Backbone interact. energy: 0.321
local terms energy: -177.676094
where:
bonds (distance) C4'-P energy: -36.909
bonds (distance) P-C4' energy: -36.337
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -25.172
tors. eta vs tors. theta energy: -39.472
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: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -549.332368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.332368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.332368 (E_RNA)
where:
Base-Base interactions energy: -366.848
where: short stacking energy: -171.591
Base-Backbone interact. energy: -0.270
local terms energy: -182.213430
where:
bonds (distance) C4'-P energy: -31.467
bonds (distance) P-C4' energy: -34.122
flat angles C4'-P-C4' energy: -41.551
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -48.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -479.582625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.582625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.582625 (E_RNA)
where:
Base-Base interactions energy: -310.084
where: short stacking energy: -137.253
Base-Backbone interact. energy: -0.168
local terms energy: -169.331322
where:
bonds (distance) C4'-P energy: -28.343
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -43.112
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -40.406
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: 461
Temperature: 1.200000
Total energy: -414.551985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.551985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.551985 (E_RNA)
where:
Base-Base interactions energy: -267.769
where: short stacking energy: -122.259
Base-Backbone interact. energy: -1.843
local terms energy: -144.939526
where:
bonds (distance) C4'-P energy: -33.392
bonds (distance) P-C4' energy: -23.435
flat angles C4'-P-C4' energy: -40.051
flat angles P-C4'-P energy: -26.048
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -204.222452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.222452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.222452 (E_RNA)
where:
Base-Base interactions energy: -96.235
where: short stacking energy: -63.833
Base-Backbone interact. energy: 1.040
local terms energy: -109.027099
where:
bonds (distance) C4'-P energy: -41.181
bonds (distance) P-C4' energy: -37.205
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: 5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -214.374321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.374321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.374321 (E_RNA)
where:
Base-Base interactions energy: -97.703
where: short stacking energy: -57.654
Base-Backbone interact. energy: -0.721
local terms energy: -115.950628
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -28.110
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -3.254
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: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -178.032969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.032969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.032969 (E_RNA)
where:
Base-Base interactions energy: -63.765
where: short stacking energy: -47.907
Base-Backbone interact. energy: -1.245
local terms energy: -113.023335
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: 8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -694.868673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.868673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.868673 (E_RNA)
where:
Base-Base interactions energy: -470.317
where: short stacking energy: -207.658
Base-Backbone interact. energy: -0.551
local terms energy: -224.001135
where:
bonds (distance) C4'-P energy: -36.142
bonds (distance) P-C4' energy: -45.954
flat angles C4'-P-C4' energy: -43.120
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -65.697
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: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -641.352557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.352557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.352557 (E_RNA)
where:
Base-Base interactions energy: -447.563
where: short stacking energy: -179.632
Base-Backbone interact. energy: -0.856
local terms energy: -192.932999
where:
bonds (distance) C4'-P energy: -39.014
bonds (distance) P-C4' energy: -42.397
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -51.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -671.676981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.676981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.676981 (E_RNA)
where:
Base-Base interactions energy: -466.380
where: short stacking energy: -188.623
Base-Backbone interact. energy: -1.094
local terms energy: -204.203098
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -40.639
flat angles C4'-P-C4' energy: -43.636
flat angles P-C4'-P energy: -28.318
tors. eta vs tors. theta energy: -56.740
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: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -575.774304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.774304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.774304 (E_RNA)
where:
Base-Base interactions energy: -382.039
where: short stacking energy: -165.495
Base-Backbone interact. energy: -0.727
local terms energy: -193.009008
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -30.879
flat angles C4'-P-C4' energy: -47.539
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -51.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -535.003107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.003107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.003107 (E_RNA)
where:
Base-Base interactions energy: -344.118
where: short stacking energy: -164.359
Base-Backbone interact. energy: -0.913
local terms energy: -189.971471
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -42.124
flat angles C4'-P-C4' energy: -35.508
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -45.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -482.155093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.155093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.155093 (E_RNA)
where:
Base-Base interactions energy: -303.811
where: short stacking energy: -136.237
Base-Backbone interact. energy: -0.059
local terms energy: -178.284773
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -39.328
flat angles C4'-P-C4' energy: -40.801
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -40.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -400.252515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.252515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.252515 (E_RNA)
where:
Base-Base interactions energy: -246.528
where: short stacking energy: -114.398
Base-Backbone interact. energy: -0.541
local terms energy: -153.184200
where:
bonds (distance) C4'-P energy: -30.846
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -42.317
flat angles P-C4'-P energy: -26.576
tors. eta vs tors. theta energy: -26.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -230.785780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.785780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.785780 (E_RNA)
where:
Base-Base interactions energy: -103.413
where: short stacking energy: -65.597
Base-Backbone interact. energy: -0.758
local terms energy: -126.614571
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -41.729
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -175.136569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.136569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.136569 (E_RNA)
where:
Base-Base interactions energy: -60.076
where: short stacking energy: -33.206
Base-Backbone interact. energy: 0.426
local terms energy: -115.486917
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -37.445
flat angles C4'-P-C4' energy: -29.037
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: 1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -173.023320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.023320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.023320 (E_RNA)
where:
Base-Base interactions energy: -51.798
where: short stacking energy: -41.322
Base-Backbone interact. energy: -1.411
local terms energy: -119.813963
where:
bonds (distance) C4'-P energy: -33.152
bonds (distance) P-C4' energy: -38.829
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: 4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -694.612978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.612978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.612978 (E_RNA)
where:
Base-Base interactions energy: -485.665
where: short stacking energy: -216.846
Base-Backbone interact. energy: -0.053
local terms energy: -208.895322
where:
bonds (distance) C4'-P energy: -39.399
bonds (distance) P-C4' energy: -40.462
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -65.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -673.842514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.842514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.842514 (E_RNA)
where:
Base-Base interactions energy: -456.846
where: short stacking energy: -183.775
Base-Backbone interact. energy: -0.799
local terms energy: -216.197343
where:
bonds (distance) C4'-P energy: -39.269
bonds (distance) P-C4' energy: -41.657
flat angles C4'-P-C4' energy: -46.603
flat angles P-C4'-P energy: -31.437
tors. eta vs tors. theta energy: -57.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -629.818502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.818502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.818502 (E_RNA)
where:
Base-Base interactions energy: -431.447
where: short stacking energy: -164.257
Base-Backbone interact. energy: -1.182
local terms energy: -197.189330
where:
bonds (distance) C4'-P energy: -37.350
bonds (distance) P-C4' energy: -40.790
flat angles C4'-P-C4' energy: -37.918
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: -53.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -560.064663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.064663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.064663 (E_RNA)
where:
Base-Base interactions energy: -384.011
where: short stacking energy: -154.969
Base-Backbone interact. energy: 8.626
local terms energy: -184.679654
where:
bonds (distance) C4'-P energy: -37.616
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -41.613
flat angles P-C4'-P energy: -30.184
tors. eta vs tors. theta energy: -42.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -549.913961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.913961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.913961 (E_RNA)
where:
Base-Base interactions energy: -358.889
where: short stacking energy: -161.900
Base-Backbone interact. energy: 0.361
local terms energy: -191.385713
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -46.976
flat angles C4'-P-C4' energy: -45.207
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -39.956
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -444.998556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.998556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.998556 (E_RNA)
where:
Base-Base interactions energy: -278.127
where: short stacking energy: -120.714
Base-Backbone interact. energy: 1.457
local terms energy: -168.328732
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -27.688
tors. eta vs tors. theta energy: -32.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -423.994910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.994910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.994910 (E_RNA)
where:
Base-Base interactions energy: -256.317
where: short stacking energy: -131.528
Base-Backbone interact. energy: -0.833
local terms energy: -166.844651
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -38.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -204.159444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.159444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.159444 (E_RNA)
where:
Base-Base interactions energy: -68.983
where: short stacking energy: -66.772
Base-Backbone interact. energy: 0.574
local terms energy: -135.749854
where:
bonds (distance) C4'-P energy: -37.433
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -34.173
flat angles P-C4'-P energy: -19.161
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: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -192.719750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.719750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.719750 (E_RNA)
where:
Base-Base interactions energy: -83.433
where: short stacking energy: -59.861
Base-Backbone interact. energy: -0.783
local terms energy: -108.503646
where:
bonds (distance) C4'-P energy: -36.551
bonds (distance) P-C4' energy: -33.206
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -0.947
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: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -174.866605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.866605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.866605 (E_RNA)
where:
Base-Base interactions energy: -55.974
where: short stacking energy: -43.721
Base-Backbone interact. energy: -0.444
local terms energy: -118.449352
where:
bonds (distance) C4'-P energy: -32.761
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: 5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -695.103247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.103247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.103247 (E_RNA)
where:
Base-Base interactions energy: -478.990
where: short stacking energy: -211.546
Base-Backbone interact. energy: -0.263
local terms energy: -215.849623
where:
bonds (distance) C4'-P energy: -36.730
bonds (distance) P-C4' energy: -39.853
flat angles C4'-P-C4' energy: -46.617
flat angles P-C4'-P energy: -31.877
tors. eta vs tors. theta energy: -60.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -679.579343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.579343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.579343 (E_RNA)
where:
Base-Base interactions energy: -465.874
where: short stacking energy: -180.400
Base-Backbone interact. energy: -2.140
local terms energy: -211.565824
where:
bonds (distance) C4'-P energy: -41.235
bonds (distance) P-C4' energy: -41.926
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -30.009
tors. eta vs tors. theta energy: -60.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -647.213882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.213882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.213882 (E_RNA)
where:
Base-Base interactions energy: -433.071
where: short stacking energy: -167.528
Base-Backbone interact. energy: -0.355
local terms energy: -213.787038
where:
bonds (distance) C4'-P energy: -43.056
bonds (distance) P-C4' energy: -40.869
flat angles C4'-P-C4' energy: -44.270
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: -54.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -560.807405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.807405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.807405 (E_RNA)
where:
Base-Base interactions energy: -361.326
where: short stacking energy: -169.162
Base-Backbone interact. energy: -0.921
local terms energy: -198.560955
where:
bonds (distance) C4'-P energy: -46.802
bonds (distance) P-C4' energy: -42.837
flat angles C4'-P-C4' energy: -40.546
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -40.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -545.650974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.650974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.650974 (E_RNA)
where:
Base-Base interactions energy: -365.811
where: short stacking energy: -161.492
Base-Backbone interact. energy: 0.599
local terms energy: -180.438908
where:
bonds (distance) C4'-P energy: -34.235
bonds (distance) P-C4' energy: -35.053
flat angles C4'-P-C4' energy: -47.103
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -44.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -460.786567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.786567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.786567 (E_RNA)
where:
Base-Base interactions energy: -293.942
where: short stacking energy: -124.760
Base-Backbone interact. energy: -1.115
local terms energy: -165.729761
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -40.982
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -27.967
tors. eta vs tors. theta energy: -35.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -393.231643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.231643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.231643 (E_RNA)
where:
Base-Base interactions energy: -248.058
where: short stacking energy: -104.478
Base-Backbone interact. energy: -1.419
local terms energy: -143.754568
where:
bonds (distance) C4'-P energy: -34.578
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -39.641
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -207.277019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.277019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.277019 (E_RNA)
where:
Base-Base interactions energy: -86.257
where: short stacking energy: -75.273
Base-Backbone interact. energy: -0.728
local terms energy: -120.291658
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -28.407
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -172.920768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.920768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.920768 (E_RNA)
where:
Base-Base interactions energy: -64.530
where: short stacking energy: -54.929
Base-Backbone interact. energy: 4.257
local terms energy: -112.647715
where:
bonds (distance) C4'-P energy: -29.182
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -25.950
tors. eta vs tors. theta energy: 4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -201.697714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.697714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.697714 (E_RNA)
where:
Base-Base interactions energy: -63.569
where: short stacking energy: -54.589
Base-Backbone interact. energy: 2.011
local terms energy: -140.140209
where:
bonds (distance) C4'-P energy: -41.653
bonds (distance) P-C4' energy: -38.250
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -700.133058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.133058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.133058 (E_RNA)
where:
Base-Base interactions energy: -473.738
where: short stacking energy: -203.674
Base-Backbone interact. energy: -0.974
local terms energy: -225.421072
where:
bonds (distance) C4'-P energy: -40.766
bonds (distance) P-C4' energy: -41.300
flat angles C4'-P-C4' energy: -47.377
flat angles P-C4'-P energy: -33.975
tors. eta vs tors. theta energy: -62.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -689.730859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.730859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.730859 (E_RNA)
where:
Base-Base interactions energy: -483.157
where: short stacking energy: -203.671
Base-Backbone interact. energy: 1.196
local terms energy: -207.770445
where:
bonds (distance) C4'-P energy: -41.280
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -44.321
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -62.798
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: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -656.127962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.127962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.127962 (E_RNA)
where:
Base-Base interactions energy: -449.402
where: short stacking energy: -184.229
Base-Backbone interact. energy: -0.706
local terms energy: -206.020126
where:
bonds (distance) C4'-P energy: -40.840
bonds (distance) P-C4' energy: -35.650
flat angles C4'-P-C4' energy: -43.652
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -59.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -556.344548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.344548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.344548 (E_RNA)
where:
Base-Base interactions energy: -362.043
where: short stacking energy: -156.247
Base-Backbone interact. energy: -0.915
local terms energy: -193.386533
where:
bonds (distance) C4'-P energy: -38.370
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -42.921
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -49.803
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: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -573.832907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.832907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.832907 (E_RNA)
where:
Base-Base interactions energy: -391.927
where: short stacking energy: -162.693
Base-Backbone interact. energy: 3.420
local terms energy: -185.325212
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -39.866
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: -41.756
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: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -445.189447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.189447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.189447 (E_RNA)
where:
Base-Base interactions energy: -284.126
where: short stacking energy: -127.323
Base-Backbone interact. energy: -0.908
local terms energy: -160.155726
where:
bonds (distance) C4'-P energy: -38.314
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -28.559
flat angles P-C4'-P energy: -28.778
tors. eta vs tors. theta energy: -29.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -391.074096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.074096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.074096 (E_RNA)
where:
Base-Base interactions energy: -244.093
where: short stacking energy: -109.194
Base-Backbone interact. energy: -0.931
local terms energy: -146.050113
where:
bonds (distance) C4'-P energy: -34.646
bonds (distance) P-C4' energy: -30.785
flat angles C4'-P-C4' energy: -34.239
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -28.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -222.206741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.206741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.206741 (E_RNA)
where:
Base-Base interactions energy: -85.655
where: short stacking energy: -68.406
Base-Backbone interact. energy: -1.486
local terms energy: -135.065969
where:
bonds (distance) C4'-P energy: -33.111
bonds (distance) P-C4' energy: -45.181
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -9.153
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: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -168.462433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.462433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.462433 (E_RNA)
where:
Base-Base interactions energy: -59.612
where: short stacking energy: -46.821
Base-Backbone interact. energy: -2.376
local terms energy: -106.474774
where:
bonds (distance) C4'-P energy: -33.246
bonds (distance) P-C4' energy: -34.404
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: 8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -174.337533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.337533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.337533 (E_RNA)
where:
Base-Base interactions energy: -57.886
where: short stacking energy: -40.022
Base-Backbone interact. energy: -0.915
local terms energy: -115.537106
where:
bonds (distance) C4'-P energy: -41.034
bonds (distance) P-C4' energy: -33.148
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: 4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -698.725371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.725371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.725371 (E_RNA)
where:
Base-Base interactions energy: -487.213
where: short stacking energy: -208.925
Base-Backbone interact. energy: 1.378
local terms energy: -212.890345
where:
bonds (distance) C4'-P energy: -37.346
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -45.184
flat angles P-C4'-P energy: -31.255
tors. eta vs tors. theta energy: -61.878
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: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -681.567825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.567825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.567825 (E_RNA)
where:
Base-Base interactions energy: -468.508
where: short stacking energy: -185.008
Base-Backbone interact. energy: -0.675
local terms energy: -212.384365
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -44.551
flat angles C4'-P-C4' energy: -43.022
flat angles P-C4'-P energy: -28.868
tors. eta vs tors. theta energy: -55.008
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: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -647.271317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.271317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.271317 (E_RNA)
where:
Base-Base interactions energy: -437.809
where: short stacking energy: -186.727
Base-Backbone interact. energy: -0.232
local terms energy: -209.231264
where:
bonds (distance) C4'-P energy: -40.708
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -42.388
flat angles P-C4'-P energy: -31.805
tors. eta vs tors. theta energy: -62.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -558.983873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.983873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.983873 (E_RNA)
where:
Base-Base interactions energy: -362.278
where: short stacking energy: -153.251
Base-Backbone interact. energy: 2.297
local terms energy: -199.003390
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -42.761
flat angles C4'-P-C4' energy: -43.119
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -52.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -574.668904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.668904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.668904 (E_RNA)
where:
Base-Base interactions energy: -386.076
where: short stacking energy: -166.424
Base-Backbone interact. energy: -0.987
local terms energy: -187.605915
where:
bonds (distance) C4'-P energy: -34.926
bonds (distance) P-C4' energy: -36.127
flat angles C4'-P-C4' energy: -39.098
flat angles P-C4'-P energy: -29.115
tors. eta vs tors. theta energy: -48.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -486.716357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.716357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.716357 (E_RNA)
where:
Base-Base interactions energy: -314.961
where: short stacking energy: -118.161
Base-Backbone interact. energy: -0.611
local terms energy: -171.144231
where:
bonds (distance) C4'-P energy: -38.001
bonds (distance) P-C4' energy: -37.680
flat angles C4'-P-C4' energy: -40.873
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -30.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -385.135044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.135044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.135044 (E_RNA)
where:
Base-Base interactions energy: -231.385
where: short stacking energy: -99.856
Base-Backbone interact. energy: 0.517
local terms energy: -154.266411
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -40.825
flat angles C4'-P-C4' energy: -38.190
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -191.380330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.380330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.380330 (E_RNA)
where:
Base-Base interactions energy: -70.796
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.768
local terms energy: -119.816548
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -36.151
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -26.655
tors. eta vs tors. theta energy: 0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -257.088170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.088170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.088170 (E_RNA)
where:
Base-Base interactions energy: -125.897
where: short stacking energy: -59.096
Base-Backbone interact. energy: -0.826
local terms energy: -130.364738
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -37.366
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -23.967
tors. eta vs tors. theta energy: -4.532
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: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -164.798001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.798001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.798001 (E_RNA)
where:
Base-Base interactions energy: -44.687
where: short stacking energy: -34.300
Base-Backbone interact. energy: -0.071
local terms energy: -120.039875
where:
bonds (distance) C4'-P energy: -44.423
bonds (distance) P-C4' energy: -41.958
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: 7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -688.918869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.918869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.918869 (E_RNA)
where:
Base-Base interactions energy: -461.635
where: short stacking energy: -200.943
Base-Backbone interact. energy: -0.693
local terms energy: -226.590300
where:
bonds (distance) C4'-P energy: -41.983
bonds (distance) P-C4' energy: -44.557
flat angles C4'-P-C4' energy: -46.922
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -59.242
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: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -690.805318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.805318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.805318 (E_RNA)
where:
Base-Base interactions energy: -486.128
where: short stacking energy: -198.720
Base-Backbone interact. energy: -0.928
local terms energy: -203.749377
where:
bonds (distance) C4'-P energy: -38.647
bonds (distance) P-C4' energy: -34.106
flat angles C4'-P-C4' energy: -47.856
flat angles P-C4'-P energy: -25.840
tors. eta vs tors. theta energy: -57.301
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: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -644.199079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.199079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.199079 (E_RNA)
where:
Base-Base interactions energy: -451.959
where: short stacking energy: -180.873
Base-Backbone interact. energy: 0.540
local terms energy: -192.780046
where:
bonds (distance) C4'-P energy: -35.878
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -45.632
flat angles P-C4'-P energy: -25.616
tors. eta vs tors. theta energy: -55.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -594.977196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.977196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.977196 (E_RNA)
where:
Base-Base interactions energy: -407.536
where: short stacking energy: -160.850
Base-Backbone interact. energy: -0.929
local terms energy: -186.512493
where:
bonds (distance) C4'-P energy: -39.619
bonds (distance) P-C4' energy: -37.444
flat angles C4'-P-C4' energy: -39.640
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -45.311
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: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -513.410823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.410823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.410823 (E_RNA)
where:
Base-Base interactions energy: -350.103
where: short stacking energy: -149.553
Base-Backbone interact. energy: -0.672
local terms energy: -162.634857
where:
bonds (distance) C4'-P energy: -31.179
bonds (distance) P-C4' energy: -32.593
flat angles C4'-P-C4' energy: -36.926
flat angles P-C4'-P energy: -22.832
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: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -489.407975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.407975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.407975 (E_RNA)
where:
Base-Base interactions energy: -320.894
where: short stacking energy: -136.360
Base-Backbone interact. energy: -0.214
local terms energy: -168.300340
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -33.766
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -36.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -369.629177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.629177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.629177 (E_RNA)
where:
Base-Base interactions energy: -218.906
where: short stacking energy: -107.199
Base-Backbone interact. energy: 0.708
local terms energy: -151.431780
where:
bonds (distance) C4'-P energy: -40.033
bonds (distance) P-C4' energy: -35.613
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -24.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -257.407685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.407685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.407685 (E_RNA)
where:
Base-Base interactions energy: -138.772
where: short stacking energy: -85.864
Base-Backbone interact. energy: 2.368
local terms energy: -121.003969
where:
bonds (distance) C4'-P energy: -32.745
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: -10.459
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: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -183.412844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.412844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.412844 (E_RNA)
where:
Base-Base interactions energy: -71.417
where: short stacking energy: -67.193
Base-Backbone interact. energy: 2.450
local terms energy: -114.445722
where:
bonds (distance) C4'-P energy: -36.450
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -32.506
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -184.960438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.960438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.960438 (E_RNA)
where:
Base-Base interactions energy: -65.796
where: short stacking energy: -51.234
Base-Backbone interact. energy: 1.405
local terms energy: -120.570094
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -20.889
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: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -701.254995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.254995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.254995 (E_RNA)
where:
Base-Base interactions energy: -486.855
where: short stacking energy: -190.465
Base-Backbone interact. energy: -1.864
local terms energy: -212.536182
where:
bonds (distance) C4'-P energy: -41.591
bonds (distance) P-C4' energy: -40.039
flat angles C4'-P-C4' energy: -46.480
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -59.887
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: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -672.722851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.722851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.722851 (E_RNA)
where:
Base-Base interactions energy: -450.367
where: short stacking energy: -190.926
Base-Backbone interact. energy: -0.372
local terms energy: -221.983622
where:
bonds (distance) C4'-P energy: -37.964
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -41.055
flat angles P-C4'-P energy: -34.271
tors. eta vs tors. theta energy: -64.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -648.090806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.090806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.090806 (E_RNA)
where:
Base-Base interactions energy: -432.683
where: short stacking energy: -176.562
Base-Backbone interact. energy: -1.066
local terms energy: -214.341845
where:
bonds (distance) C4'-P energy: -34.546
bonds (distance) P-C4' energy: -46.049
flat angles C4'-P-C4' energy: -45.290
flat angles P-C4'-P energy: -31.526
tors. eta vs tors. theta energy: -56.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -567.876222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.876222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.876222 (E_RNA)
where:
Base-Base interactions energy: -389.938
where: short stacking energy: -157.444
Base-Backbone interact. energy: -0.830
local terms energy: -177.108329
where:
bonds (distance) C4'-P energy: -36.180
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -41.440
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -40.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -507.228043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.228043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.228043 (E_RNA)
where:
Base-Base interactions energy: -338.189
where: short stacking energy: -145.528
Base-Backbone interact. energy: -0.612
local terms energy: -168.426353
where:
bonds (distance) C4'-P energy: -31.576
bonds (distance) P-C4' energy: -40.824
flat angles C4'-P-C4' energy: -36.596
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -33.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -494.437626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.437626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.437626 (E_RNA)
where:
Base-Base interactions energy: -318.685
where: short stacking energy: -130.750
Base-Backbone interact. energy: -1.411
local terms energy: -174.342063
where:
bonds (distance) C4'-P energy: -35.872
bonds (distance) P-C4' energy: -39.650
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -24.955
tors. eta vs tors. theta energy: -41.828
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: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -395.885277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.885277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.885277 (E_RNA)
where:
Base-Base interactions energy: -241.107
where: short stacking energy: -113.055
Base-Backbone interact. energy: -0.222
local terms energy: -154.556339
where:
bonds (distance) C4'-P energy: -32.858
bonds (distance) P-C4' energy: -30.307
flat angles C4'-P-C4' energy: -38.444
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -33.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -252.654394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.654394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.654394 (E_RNA)
where:
Base-Base interactions energy: -128.083
where: short stacking energy: -56.397
Base-Backbone interact. energy: -1.118
local terms energy: -123.453316
where:
bonds (distance) C4'-P energy: -36.697
bonds (distance) P-C4' energy: -38.476
flat angles C4'-P-C4' energy: -36.899
flat angles P-C4'-P energy: -1.849
tors. eta vs tors. theta energy: -9.531
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: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -169.446461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.446461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.446461 (E_RNA)
where:
Base-Base interactions energy: -64.767
where: short stacking energy: -60.117
Base-Backbone interact. energy: -1.411
local terms energy: -103.268092
where:
bonds (distance) C4'-P energy: -32.690
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: 0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -167.225910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.225910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.225910 (E_RNA)
where:
Base-Base interactions energy: -53.951
where: short stacking energy: -44.447
Base-Backbone interact. energy: 1.650
local terms energy: -114.925063
where:
bonds (distance) C4'-P energy: -31.515
bonds (distance) P-C4' energy: -31.582
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: 12.377
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: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -677.347684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.347684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.347684 (E_RNA)
where:
Base-Base interactions energy: -470.799
where: short stacking energy: -184.342
Base-Backbone interact. energy: -0.793
local terms energy: -205.755686
where:
bonds (distance) C4'-P energy: -36.846
bonds (distance) P-C4' energy: -47.272
flat angles C4'-P-C4' energy: -40.353
flat angles P-C4'-P energy: -24.728
tors. eta vs tors. theta energy: -56.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -677.856843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.856843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.856843 (E_RNA)
where:
Base-Base interactions energy: -455.681
where: short stacking energy: -193.166
Base-Backbone interact. energy: -0.435
local terms energy: -221.740251
where:
bonds (distance) C4'-P energy: -37.273
bonds (distance) P-C4' energy: -44.539
flat angles C4'-P-C4' energy: -41.489
flat angles P-C4'-P energy: -31.986
tors. eta vs tors. theta energy: -66.453
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: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -654.419714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.419714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.419714 (E_RNA)
where:
Base-Base interactions energy: -440.374
where: short stacking energy: -182.283
Base-Backbone interact. energy: -1.527
local terms energy: -212.519103
where:
bonds (distance) C4'-P energy: -42.115
bonds (distance) P-C4' energy: -40.537
flat angles C4'-P-C4' energy: -41.741
flat angles P-C4'-P energy: -29.144
tors. eta vs tors. theta energy: -58.981
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: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -595.450607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.450607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.450607 (E_RNA)
where:
Base-Base interactions energy: -398.791
where: short stacking energy: -175.506
Base-Backbone interact. energy: -1.124
local terms energy: -195.536247
where:
bonds (distance) C4'-P energy: -34.208
bonds (distance) P-C4' energy: -42.965
flat angles C4'-P-C4' energy: -41.767
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: -49.292
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: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -523.248705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.248705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.248705 (E_RNA)
where:
Base-Base interactions energy: -345.411
where: short stacking energy: -153.459
Base-Backbone interact. energy: -0.732
local terms energy: -177.105489
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -33.075
flat angles C4'-P-C4' energy: -36.835
flat angles P-C4'-P energy: -27.183
tors. eta vs tors. theta energy: -46.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -485.107649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.107649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.107649 (E_RNA)
where:
Base-Base interactions energy: -315.365
where: short stacking energy: -135.986
Base-Backbone interact. energy: -0.152
local terms energy: -169.590127
where:
bonds (distance) C4'-P energy: -36.112
bonds (distance) P-C4' energy: -40.064
flat angles C4'-P-C4' energy: -31.648
flat angles P-C4'-P energy: -23.017
tors. eta vs tors. theta energy: -38.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -411.076987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.076987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.076987 (E_RNA)
where:
Base-Base interactions energy: -264.863
where: short stacking energy: -113.197
Base-Backbone interact. energy: -0.489
local terms energy: -145.725535
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -38.744
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -310.354541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.354541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.354541 (E_RNA)
where:
Base-Base interactions energy: -174.393
where: short stacking energy: -86.158
Base-Backbone interact. energy: 0.469
local terms energy: -136.430367
where:
bonds (distance) C4'-P energy: -33.459
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -39.704
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -212.220613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.220613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.220613 (E_RNA)
where:
Base-Base interactions energy: -94.314
where: short stacking energy: -47.643
Base-Backbone interact. energy: 1.074
local terms energy: -118.980328
where:
bonds (distance) C4'-P energy: -29.623
bonds (distance) P-C4' energy: -33.742
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -160.115557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.115557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.115557 (E_RNA)
where:
Base-Base interactions energy: -66.262
where: short stacking energy: -44.782
Base-Backbone interact. energy: -0.826
local terms energy: -93.027545
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -24.484
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: 5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -688.153382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.153382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.153382 (E_RNA)
where:
Base-Base interactions energy: -462.663
where: short stacking energy: -198.787
Base-Backbone interact. energy: -1.028
local terms energy: -224.462402
where:
bonds (distance) C4'-P energy: -38.427
bonds (distance) P-C4' energy: -45.902
flat angles C4'-P-C4' energy: -46.849
flat angles P-C4'-P energy: -33.345
tors. eta vs tors. theta energy: -59.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -677.772199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.772199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.772199 (E_RNA)
where:
Base-Base interactions energy: -455.406
where: short stacking energy: -205.416
Base-Backbone interact. energy: -0.115
local terms energy: -222.251135
where:
bonds (distance) C4'-P energy: -36.022
bonds (distance) P-C4' energy: -47.010
flat angles C4'-P-C4' energy: -43.558
flat angles P-C4'-P energy: -30.495
tors. eta vs tors. theta energy: -65.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -644.097429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.097429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.097429 (E_RNA)
where:
Base-Base interactions energy: -456.293
where: short stacking energy: -180.127
Base-Backbone interact. energy: -1.558
local terms energy: -186.246428
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -35.270
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: -54.295
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: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -561.248367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.248367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.248367 (E_RNA)
where:
Base-Base interactions energy: -384.650
where: short stacking energy: -156.112
Base-Backbone interact. energy: -1.023
local terms energy: -175.575470
where:
bonds (distance) C4'-P energy: -37.503
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -40.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -544.030800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.030800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.030800 (E_RNA)
where:
Base-Base interactions energy: -358.366
where: short stacking energy: -154.249
Base-Backbone interact. energy: -1.020
local terms energy: -184.644405
where:
bonds (distance) C4'-P energy: -37.995
bonds (distance) P-C4' energy: -37.309
flat angles C4'-P-C4' energy: -34.063
flat angles P-C4'-P energy: -28.936
tors. eta vs tors. theta energy: -46.341
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: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -466.711254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.711254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.711254 (E_RNA)
where:
Base-Base interactions energy: -294.898
where: short stacking energy: -126.045
Base-Backbone interact. energy: -0.167
local terms energy: -171.645844
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -32.625
flat angles C4'-P-C4' energy: -45.440
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -41.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -427.242810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.242810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.242810 (E_RNA)
where:
Base-Base interactions energy: -269.412
where: short stacking energy: -123.209
Base-Backbone interact. energy: -0.932
local terms energy: -156.898104
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -35.998
flat angles C4'-P-C4' energy: -36.766
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -32.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -278.549018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.549018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.549018 (E_RNA)
where:
Base-Base interactions energy: -146.780
where: short stacking energy: -78.317
Base-Backbone interact. energy: -1.343
local terms energy: -130.426288
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -33.668
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -184.560987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.560987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.560987 (E_RNA)
where:
Base-Base interactions energy: -73.247
where: short stacking energy: -54.300
Base-Backbone interact. energy: -0.746
local terms energy: -110.567570
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -0.717
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: 470
Temperature: 1.350000
Total energy: -169.656940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.656940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.656940 (E_RNA)
where:
Base-Base interactions energy: -63.631
where: short stacking energy: -43.542
Base-Backbone interact. energy: -0.970
local terms energy: -105.056695
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -17.821
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: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -689.456686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.456686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.456686 (E_RNA)
where:
Base-Base interactions energy: -482.244
where: short stacking energy: -194.041
Base-Backbone interact. energy: -1.316
local terms energy: -205.896451
where:
bonds (distance) C4'-P energy: -33.397
bonds (distance) P-C4' energy: -44.505
flat angles C4'-P-C4' energy: -44.862
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -56.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -678.902190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.902190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.902190 (E_RNA)
where:
Base-Base interactions energy: -459.815
where: short stacking energy: -204.958
Base-Backbone interact. energy: -1.247
local terms energy: -217.840509
where:
bonds (distance) C4'-P energy: -35.826
bonds (distance) P-C4' energy: -43.740
flat angles C4'-P-C4' energy: -43.334
flat angles P-C4'-P energy: -30.835
tors. eta vs tors. theta energy: -64.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -657.340130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.340130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.340130 (E_RNA)
where:
Base-Base interactions energy: -446.082
where: short stacking energy: -177.027
Base-Backbone interact. energy: -0.700
local terms energy: -210.558231
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -47.390
flat angles P-C4'-P energy: -29.536
tors. eta vs tors. theta energy: -58.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -554.145096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.145096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.145096 (E_RNA)
where:
Base-Base interactions energy: -363.393
where: short stacking energy: -161.591
Base-Backbone interact. energy: -1.428
local terms energy: -189.323910
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -44.242
flat angles P-C4'-P energy: -28.538
tors. eta vs tors. theta energy: -46.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -550.904157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.904157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.904157 (E_RNA)
where:
Base-Base interactions energy: -366.623
where: short stacking energy: -158.827
Base-Backbone interact. energy: -0.799
local terms energy: -183.482878
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -38.206
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -29.098
tors. eta vs tors. theta energy: -41.306
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: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -488.666186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.666186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.666186 (E_RNA)
where:
Base-Base interactions energy: -304.031
where: short stacking energy: -140.455
Base-Backbone interact. energy: -0.178
local terms energy: -184.456419
where:
bonds (distance) C4'-P energy: -30.798
bonds (distance) P-C4' energy: -45.265
flat angles C4'-P-C4' energy: -39.301
flat angles P-C4'-P energy: -32.951
tors. eta vs tors. theta energy: -36.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -495.501477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.501477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.501477 (E_RNA)
where:
Base-Base interactions energy: -333.981
where: short stacking energy: -133.475
Base-Backbone interact. energy: -2.060
local terms energy: -159.459737
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -41.360
flat angles C4'-P-C4' energy: -35.418
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -30.248
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: 471
Temperature: 1.250000
Total energy: -270.451118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.451118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.451118 (E_RNA)
where:
Base-Base interactions energy: -128.557
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.975
local terms energy: -140.918547
where:
bonds (distance) C4'-P energy: -36.447
bonds (distance) P-C4' energy: -38.891
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -179.574439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.574439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.574439 (E_RNA)
where:
Base-Base interactions energy: -58.688
where: short stacking energy: -55.339
Base-Backbone interact. energy: 0.395
local terms energy: -121.281356
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -37.283
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -170.020028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.020028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.020028 (E_RNA)
where:
Base-Base interactions energy: -70.290
where: short stacking energy: -56.922
Base-Backbone interact. energy: -0.655
local terms energy: -99.074923
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -0.181
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: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -689.246330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.246330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.246330 (E_RNA)
where:
Base-Base interactions energy: -480.011
where: short stacking energy: -188.212
Base-Backbone interact. energy: 0.592
local terms energy: -209.827909
where:
bonds (distance) C4'-P energy: -39.689
bonds (distance) P-C4' energy: -41.541
flat angles C4'-P-C4' energy: -44.578
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -55.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -675.401392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.401392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.401392 (E_RNA)
where:
Base-Base interactions energy: -462.178
where: short stacking energy: -208.081
Base-Backbone interact. energy: -0.114
local terms energy: -213.109391
where:
bonds (distance) C4'-P energy: -36.590
bonds (distance) P-C4' energy: -38.498
flat angles C4'-P-C4' energy: -44.597
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -65.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -657.499281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.499281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.499281 (E_RNA)
where:
Base-Base interactions energy: -446.229
where: short stacking energy: -185.004
Base-Backbone interact. energy: -0.344
local terms energy: -210.925969
where:
bonds (distance) C4'-P energy: -41.951
bonds (distance) P-C4' energy: -40.037
flat angles C4'-P-C4' energy: -46.729
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: -56.561
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: 472
Temperature: 1.050000
Total energy: -548.823535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.823535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.823535 (E_RNA)
where:
Base-Base interactions energy: -367.112
where: short stacking energy: -155.822
Base-Backbone interact. energy: -0.222
local terms energy: -181.488862
where:
bonds (distance) C4'-P energy: -36.990
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -40.935
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: -40.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -565.656184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.656184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.656184 (E_RNA)
where:
Base-Base interactions energy: -377.446
where: short stacking energy: -159.361
Base-Backbone interact. energy: -0.522
local terms energy: -187.688786
where:
bonds (distance) C4'-P energy: -39.147
bonds (distance) P-C4' energy: -34.390
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -29.638
tors. eta vs tors. theta energy: -47.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -477.092849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.092849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.092849 (E_RNA)
where:
Base-Base interactions energy: -305.144
where: short stacking energy: -122.783
Base-Backbone interact. energy: 1.934
local terms energy: -173.883429
where:
bonds (distance) C4'-P energy: -37.119
bonds (distance) P-C4' energy: -38.845
flat angles C4'-P-C4' energy: -40.883
flat angles P-C4'-P energy: -26.839
tors. eta vs tors. theta energy: -30.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -478.124157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.124157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.124157 (E_RNA)
where:
Base-Base interactions energy: -337.298
where: short stacking energy: -117.870
Base-Backbone interact. energy: -2.171
local terms energy: -138.655231
where:
bonds (distance) C4'-P energy: -30.766
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -38.026
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -23.910
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: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -279.527762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.527762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.527762 (E_RNA)
where:
Base-Base interactions energy: -156.108
where: short stacking energy: -77.277
Base-Backbone interact. energy: -0.752
local terms energy: -122.668094
where:
bonds (distance) C4'-P energy: -33.391
bonds (distance) P-C4' energy: -33.616
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -182.747639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.747639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.747639 (E_RNA)
where:
Base-Base interactions energy: -74.020
where: short stacking energy: -57.053
Base-Backbone interact. energy: 1.410
local terms energy: -110.138126
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -33.437
flat angles P-C4'-P energy: -17.339
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -165.103103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.103103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.103103 (E_RNA)
where:
Base-Base interactions energy: -57.785
where: short stacking energy: -42.918
Base-Backbone interact. energy: 1.584
local terms energy: -108.902081
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -44.325
flat angles C4'-P-C4' energy: -24.151
flat angles P-C4'-P energy: -14.671
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: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -690.925474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.925474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.925474 (E_RNA)
where:
Base-Base interactions energy: -476.539
where: short stacking energy: -183.718
Base-Backbone interact. energy: -0.349
local terms energy: -214.038317
where:
bonds (distance) C4'-P energy: -44.111
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -45.990
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -56.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -676.036451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.036451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.036451 (E_RNA)
where:
Base-Base interactions energy: -453.273
where: short stacking energy: -206.751
Base-Backbone interact. energy: -0.499
local terms energy: -222.264511
where:
bonds (distance) C4'-P energy: -39.529
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -42.274
flat angles P-C4'-P energy: -33.402
tors. eta vs tors. theta energy: -65.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -637.425228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.425228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.425228 (E_RNA)
where:
Base-Base interactions energy: -442.252
where: short stacking energy: -181.941
Base-Backbone interact. energy: 3.141
local terms energy: -198.314252
where:
bonds (distance) C4'-P energy: -36.900
bonds (distance) P-C4' energy: -37.342
flat angles C4'-P-C4' energy: -39.452
flat angles P-C4'-P energy: -28.660
tors. eta vs tors. theta energy: -55.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -562.394734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.394734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.394734 (E_RNA)
where:
Base-Base interactions energy: -363.959
where: short stacking energy: -145.511
Base-Backbone interact. energy: -0.569
local terms energy: -197.865870
where:
bonds (distance) C4'-P energy: -40.742
bonds (distance) P-C4' energy: -38.500
flat angles C4'-P-C4' energy: -46.184
flat angles P-C4'-P energy: -27.460
tors. eta vs tors. theta energy: -44.980
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: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -546.199704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.199704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.199704 (E_RNA)
where:
Base-Base interactions energy: -365.727
where: short stacking energy: -161.620
Base-Backbone interact. energy: 5.912
local terms energy: -186.384744
where:
bonds (distance) C4'-P energy: -38.483
bonds (distance) P-C4' energy: -35.403
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -30.224
tors. eta vs tors. theta energy: -43.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -466.525804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.525804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.525804 (E_RNA)
where:
Base-Base interactions energy: -306.625
where: short stacking energy: -126.594
Base-Backbone interact. energy: -1.244
local terms energy: -158.656098
where:
bonds (distance) C4'-P energy: -36.255
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -16.539
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: 473
Temperature: 1.200000
Total energy: -446.416674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.416674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.416674 (E_RNA)
where:
Base-Base interactions energy: -286.643
where: short stacking energy: -129.187
Base-Backbone interact. energy: -1.498
local terms energy: -158.275359
where:
bonds (distance) C4'-P energy: -40.964
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -23.718
tors. eta vs tors. theta energy: -33.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -318.860026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.860026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.860026 (E_RNA)
where:
Base-Base interactions energy: -199.200
where: short stacking energy: -95.992
Base-Backbone interact. energy: 0.359
local terms energy: -120.019152
where:
bonds (distance) C4'-P energy: -28.284
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -204.246122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.246122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.246122 (E_RNA)
where:
Base-Base interactions energy: -90.095
where: short stacking energy: -56.731
Base-Backbone interact. energy: -0.920
local terms energy: -113.231446
where:
bonds (distance) C4'-P energy: -27.581
bonds (distance) P-C4' energy: -36.549
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -167.944205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.944205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.944205 (E_RNA)
where:
Base-Base interactions energy: -58.003
where: short stacking energy: -43.559
Base-Backbone interact. energy: -0.638
local terms energy: -109.302939
where:
bonds (distance) C4'-P energy: -37.084
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -30.013
tors. eta vs tors. theta energy: 7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -700.466945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.466945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.466945 (E_RNA)
where:
Base-Base interactions energy: -477.280
where: short stacking energy: -198.067
Base-Backbone interact. energy: -1.602
local terms energy: -221.585003
where:
bonds (distance) C4'-P energy: -38.338
bonds (distance) P-C4' energy: -39.180
flat angles C4'-P-C4' energy: -46.867
flat angles P-C4'-P energy: -36.372
tors. eta vs tors. theta energy: -60.829
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: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -671.880461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.880461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.880461 (E_RNA)
where:
Base-Base interactions energy: -454.809
where: short stacking energy: -194.946
Base-Backbone interact. energy: -0.030
local terms energy: -217.042041
where:
bonds (distance) C4'-P energy: -43.488
bonds (distance) P-C4' energy: -30.520
flat angles C4'-P-C4' energy: -47.892
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -65.809
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: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -649.040177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.040177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.040177 (E_RNA)
where:
Base-Base interactions energy: -448.948
where: short stacking energy: -180.066
Base-Backbone interact. energy: -2.845
local terms energy: -197.246437
where:
bonds (distance) C4'-P energy: -35.334
bonds (distance) P-C4' energy: -40.323
flat angles C4'-P-C4' energy: -42.470
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -54.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -575.529673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.529673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.529673 (E_RNA)
where:
Base-Base interactions energy: -385.621
where: short stacking energy: -177.089
Base-Backbone interact. energy: 1.304
local terms energy: -191.212725
where:
bonds (distance) C4'-P energy: -36.953
bonds (distance) P-C4' energy: -37.532
flat angles C4'-P-C4' energy: -40.224
flat angles P-C4'-P energy: -28.647
tors. eta vs tors. theta energy: -47.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -535.470077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.470077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.470077 (E_RNA)
where:
Base-Base interactions energy: -357.370
where: short stacking energy: -147.818
Base-Backbone interact. energy: -0.272
local terms energy: -177.828105
where:
bonds (distance) C4'-P energy: -45.451
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -41.083
flat angles P-C4'-P energy: -25.729
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: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -489.852830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.852830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.852830 (E_RNA)
where:
Base-Base interactions energy: -320.139
where: short stacking energy: -131.064
Base-Backbone interact. energy: -1.253
local terms energy: -168.461002
where:
bonds (distance) C4'-P energy: -36.887
bonds (distance) P-C4' energy: -34.893
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -31.971
tors. eta vs tors. theta energy: -33.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -445.604495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.604495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.604495 (E_RNA)
where:
Base-Base interactions energy: -285.002
where: short stacking energy: -131.033
Base-Backbone interact. energy: 1.240
local terms energy: -161.842296
where:
bonds (distance) C4'-P energy: -39.081
bonds (distance) P-C4' energy: -36.261
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -32.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -296.332665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.332665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.332665 (E_RNA)
where:
Base-Base interactions energy: -151.906
where: short stacking energy: -87.688
Base-Backbone interact. energy: -0.470
local terms energy: -143.955961
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -38.032
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -19.214
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: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -195.515091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.515091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.515091 (E_RNA)
where:
Base-Base interactions energy: -79.730
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.692
local terms energy: -115.093844
where:
bonds (distance) C4'-P energy: -40.105
bonds (distance) P-C4' energy: -38.860
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: 10.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -167.454325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.454325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.454325 (E_RNA)
where:
Base-Base interactions energy: -65.827
where: short stacking energy: -64.747
Base-Backbone interact. energy: -1.615
local terms energy: -100.012080
where:
bonds (distance) C4'-P energy: -31.899
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: 3.080
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)
out arg RESULTS//1/Bmotif_wout_ss-0030e3ea_01
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -685.421084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.421084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.421084 (E_RNA)
where:
Base-Base interactions energy: -464.811
where: short stacking energy: -195.007
Base-Backbone interact. energy: -1.630
local terms energy: -218.980387
where:
bonds (distance) C4'-P energy: -41.768
bonds (distance) P-C4' energy: -44.536
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -28.261
tors. eta vs tors. theta energy: -62.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -659.465114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.465114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.465114 (E_RNA)
where:
Base-Base interactions energy: -447.669
where: short stacking energy: -181.555
Base-Backbone interact. energy: -0.450
local terms energy: -211.346119
where:
bonds (distance) C4'-P energy: -43.778
bonds (distance) P-C4' energy: -40.806
flat angles C4'-P-C4' energy: -37.819
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -60.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -658.512469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.512469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.512469 (E_RNA)
where:
Base-Base interactions energy: -442.950
where: short stacking energy: -183.304
Base-Backbone interact. energy: -1.395
local terms energy: -214.168097
where:
bonds (distance) C4'-P energy: -35.770
bonds (distance) P-C4' energy: -42.234
flat angles C4'-P-C4' energy: -44.771
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -58.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -572.058455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.058455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.058455 (E_RNA)
where:
Base-Base interactions energy: -382.311
where: short stacking energy: -152.025
Base-Backbone interact. energy: -0.628
local terms energy: -189.119106
where:
bonds (distance) C4'-P energy: -35.965
bonds (distance) P-C4' energy: -36.900
flat angles C4'-P-C4' energy: -42.937
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -44.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -548.175983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.175983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.175983 (E_RNA)
where:
Base-Base interactions energy: -367.561
where: short stacking energy: -158.767
Base-Backbone interact. energy: 0.876
local terms energy: -181.491053
where:
bonds (distance) C4'-P energy: -38.811
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -36.305
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -44.588
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: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -484.194514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.194514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.194514 (E_RNA)
where:
Base-Base interactions energy: -312.418
where: short stacking energy: -137.379
Base-Backbone interact. energy: 0.323
local terms energy: -172.098744
where:
bonds (distance) C4'-P energy: -35.323
bonds (distance) P-C4' energy: -37.623
flat angles C4'-P-C4' energy: -41.461
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: -33.166
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: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -449.783071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.783071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.783071 (E_RNA)
where:
Base-Base interactions energy: -289.498
where: short stacking energy: -119.719
Base-Backbone interact. energy: 0.006
local terms energy: -160.291245
where:
bonds (distance) C4'-P energy: -33.006
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -40.075
flat angles P-C4'-P energy: -24.978
tors. eta vs tors. theta energy: -28.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -326.492660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.492660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.492660 (E_RNA)
where:
Base-Base interactions energy: -179.412
where: short stacking energy: -100.371
Base-Backbone interact. energy: 0.088
local terms energy: -147.168944
where:
bonds (distance) C4'-P energy: -36.102
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -32.282
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: -18.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -179.951867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.951867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.951867 (E_RNA)
where:
Base-Base interactions energy: -60.408
where: short stacking energy: -56.379
Base-Backbone interact. energy: -1.179
local terms energy: -118.364266
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -39.187
flat angles C4'-P-C4' energy: -32.665
flat angles P-C4'-P energy: -19.338
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -189.597728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.597728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.597728 (E_RNA)
where:
Base-Base interactions energy: -70.698
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.319
local terms energy: -118.581183
where:
bonds (distance) C4'-P energy: -35.289
bonds (distance) P-C4' energy: -40.501
flat angles C4'-P-C4' energy: -35.169
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: 5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE